==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-FEB-13 4J6I . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,L.ROUGE,P.WU . 833 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 69.5 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 . 111 13.3 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 . 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 . 64 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 4 0 2 3 1 1 3 0 2 2 0 2 1 1 1 0 0 0 1 0 0 1 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 . 2 5 3 2 3 4 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 0 120 0, 0.0 5,-0.0 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 108.7 32.5 19.2 3.2 2 144 A S > - 0 0 88 1,-0.1 3,-1.3 2,-0.0 0, 0.0 -0.112 360.0 -95.8 -83.5-175.7 29.2 19.0 1.2 3 145 A E G >> S+ 0 0 128 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.853 127.5 50.4 -73.9 -32.9 27.7 21.7 -1.0 4 146 A E G 34 S+ 0 0 113 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.057 103.7 60.6 -92.2 23.6 25.4 22.8 1.8 5 147 A S G <4 S+ 0 0 48 -3,-1.3 -1,-0.2 3,-0.1 -2,-0.2 0.105 105.2 48.6-122.7 10.5 28.5 23.0 4.1 6 148 A Q T <> S+ 0 0 115 -3,-1.0 4,-1.2 2,-0.1 -2,-0.2 0.610 103.6 54.8-117.6 -38.7 30.1 25.6 1.9 7 149 A A H X S+ 0 0 18 -4,-1.2 4,-0.6 1,-0.2 -3,-0.1 0.498 105.1 61.9 -74.2 -3.2 27.1 28.0 1.4 8 150 A F H > S+ 0 0 11 2,-0.2 4,-2.8 3,-0.1 -1,-0.2 0.863 98.9 50.6 -84.5 -47.5 27.3 28.0 5.3 9 151 A Q H > S+ 0 0 27 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.813 106.9 54.2 -62.5 -31.3 30.7 29.4 5.3 10 152 A R H X S+ 0 0 188 -4,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.903 110.0 48.9 -66.7 -39.9 29.5 32.2 3.0 11 153 A Q H X S+ 0 0 76 -4,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.928 111.3 48.8 -63.8 -46.2 26.8 32.8 5.7 12 154 A L H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 3,-0.4 0.920 109.2 54.2 -61.2 -40.6 29.4 32.8 8.5 13 155 A T H X>S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 5,-0.9 0.888 109.0 45.9 -61.8 -39.6 31.6 35.3 6.5 14 156 A A H <5S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.725 112.3 51.9 -77.3 -19.3 28.8 37.8 6.0 15 157 A L H <5S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.750 115.4 41.5 -85.2 -21.7 27.9 37.5 9.7 16 158 A I H <5S- 0 0 1 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.794 99.4-130.8 -90.7 -41.3 31.5 38.1 10.8 17 159 A G T <5S+ 0 0 50 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.560 82.0 69.5 88.9 18.7 32.4 40.9 8.4 18 160 A Y S - 0 0 58 -2,-0.3 3,-1.8 1,-0.1 -9,-0.0 -0.743 20.9-173.3 -92.7 104.0 36.7 35.9 5.6 20 162 A V T 3 S+ 0 0 15 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.415 83.4 60.2 -77.7 2.1 38.5 33.5 8.0 21 163 A T T 3 S+ 0 0 58 -12,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.432 76.0 112.2-104.5 -5.3 39.4 31.1 5.2 22 164 A D < - 0 0 62 -3,-1.8 3,-0.4 1,-0.1 -3,-0.0 -0.569 41.9-179.9 -72.5 114.5 41.4 33.8 3.5 23 165 A V > + 0 0 102 -2,-0.6 3,-0.6 1,-0.2 -1,-0.1 0.083 51.6 104.3-105.4 23.0 45.0 32.8 3.7 24 166 A S T 3 S+ 0 0 74 1,-0.2 2,-0.2 3,-0.0 -1,-0.2 0.759 80.2 47.7 -73.9 -29.5 46.4 35.8 1.9 25 167 A N T 3 S+ 0 0 7 -3,-0.4 2,-0.3 265,-0.0 262,-0.3 -0.380 92.6 95.5-113.6 55.5 47.7 37.5 5.0 26 168 A V < - 0 0 51 -3,-0.6 3,-0.1 -2,-0.2 260,-0.0 -0.990 43.3-172.8-140.7 152.9 49.5 34.8 6.8 27 169 A H S S+ 0 0 60 -2,-0.3 2,-0.3 240,-0.0 -1,-0.1 0.126 84.6 15.7-123.7 8.9 53.1 33.5 7.1 28 170 A D S S- 0 0 42 229,-0.0 3,-0.1 0, 0.0 4,-0.1 -0.871 85.2-101.3-158.7-165.9 52.2 30.4 9.1 29 171 A D S > S+ 0 0 70 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.006 74.7 118.7-121.1 29.3 49.1 28.4 9.9 30 172 A E H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 76.6 50.5 -60.8 -46.2 48.4 29.6 13.5 31 173 A L H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 115.6 43.0 -57.8 -52.1 44.9 31.1 12.6 32 174 A E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.849 111.8 54.8 -62.6 -36.0 43.9 27.8 10.9 33 175 A F H X S+ 0 0 57 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.892 109.4 48.2 -64.6 -37.0 45.4 25.8 13.8 34 176 A T H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.832 104.9 57.3 -72.6 -37.5 43.3 27.8 16.2 35 177 A R H X S+ 0 0 38 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.950 114.8 39.8 -55.8 -43.9 40.1 27.3 14.1 36 178 A R H >X S+ 0 0 133 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.860 111.4 57.1 -74.1 -37.9 40.7 23.5 14.5 37 179 A G H 3< S+ 0 0 21 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.818 104.4 53.6 -65.2 -21.3 41.8 23.9 18.1 38 180 A L H 3X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.631 85.0 83.1 -89.1 -11.8 38.5 25.5 19.0 39 181 A V H S+ 0 0 15 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.833 115.2 52.4 -58.8 -33.8 35.8 23.5 23.3 42 184 A R H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.948 114.8 38.2 -64.2 -50.2 32.9 24.4 21.0 43 185 A M H X S+ 0 0 83 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.813 111.6 61.3 -74.6 -26.0 31.4 21.0 20.8 44 186 A A H X S+ 0 0 58 -4,-3.0 4,-0.9 -5,-0.3 -1,-0.2 0.866 112.3 36.0 -70.3 -25.7 32.2 20.4 24.5 45 187 A E H X S+ 0 0 14 -4,-1.3 4,-0.7 -3,-0.3 -1,-0.2 0.791 113.8 57.0 -94.4 -29.8 30.0 23.3 25.6 46 188 A V H < S+ 0 0 36 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.849 112.5 43.8 -68.2 -33.8 27.4 22.6 22.9 47 189 A A H < S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.803 114.3 46.0 -86.8 -21.5 27.1 19.1 24.3 48 190 A S H < S+ 0 0 87 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.2 0.443 89.3 102.0-103.4 6.3 27.0 19.9 28.1 49 191 A R S < S- 0 0 27 -4,-0.7 403,-0.0 -3,-0.2 3,-0.0 -0.682 78.4-113.6 -97.1 136.7 24.5 22.7 27.9 50 192 A D > - 0 0 74 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.568 18.3-149.3 -66.9 113.6 20.8 22.2 29.0 51 193 A P H > S+ 0 0 69 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.879 95.0 46.9 -51.7 -41.1 18.6 22.6 25.9 52 194 A K H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.955 116.1 40.0 -71.3 -54.7 15.7 23.9 28.0 53 195 A L H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.806 116.5 53.4 -65.9 -27.6 17.6 26.4 30.2 54 196 A Y H < S+ 0 0 9 -4,-2.6 399,-0.3 2,-0.2 -1,-0.2 0.759 104.2 54.5 -74.1 -31.5 19.7 27.5 27.2 55 197 A A H < S+ 0 0 9 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.870 118.2 34.1 -74.7 -27.5 16.7 28.2 25.1 56 198 A M H < S- 0 0 12 -4,-1.3 67,-0.5 -5,-0.1 -2,-0.2 0.577 87.2-154.2-102.2 -13.7 15.1 30.6 27.7 57 199 A H < - 0 0 24 -4,-1.4 66,-0.1 -5,-0.2 -3,-0.1 0.785 12.8-148.1 39.6 57.7 18.3 32.1 29.0 58 200 A P - 0 0 28 0, 0.0 2,-0.8 0, 0.0 66,-0.1 -0.152 7.6-136.7 -52.1 132.7 17.0 33.0 32.6 59 201 A W + 0 0 66 64,-0.5 75,-2.1 395,-0.0 76,-0.4 -0.858 40.7 160.6-100.7 101.4 18.8 36.2 33.7 60 202 A V B -A 133 0A 34 -2,-0.8 2,-0.3 73,-0.2 358,-0.3 -0.738 28.2-161.0-123.8 166.4 19.7 35.6 37.3 61 203 A T - 0 0 0 71,-1.7 -2,-0.0 -2,-0.2 356,-0.0 -0.981 13.5-155.2-142.6 147.4 22.0 36.8 40.0 62 204 A S + 0 0 85 -2,-0.3 3,-0.1 2,-0.1 71,-0.0 0.403 62.1 111.7-103.5 -0.9 23.2 35.2 43.3 63 205 A K S S- 0 0 68 1,-0.1 -2,-0.1 69,-0.1 2,-0.1 -0.396 78.8 -97.4 -69.4 148.3 23.9 38.5 45.0 64 206 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.418 44.7 -96.2 -64.8 140.3 21.7 39.6 48.0 65 207 A L - 0 0 7 -2,-0.1 5,-0.1 1,-0.1 67,-0.0 -0.499 50.4-113.5 -61.0 123.1 18.9 42.0 47.2 66 208 A P >> - 0 0 7 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.018 19.1-112.3 -52.6 165.4 20.3 45.5 48.1 67 209 A E H 3> S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.910 113.9 60.5 -71.5 -40.8 18.9 47.6 51.0 68 210 A Y H 34 S+ 0 0 66 555,-0.3 -1,-0.2 1,-0.3 556,-0.0 0.593 108.2 43.6 -65.0 -10.7 17.4 50.2 48.7 69 211 A L H <4 S+ 0 0 11 -3,-0.8 3,-0.4 2,-0.1 4,-0.3 0.653 107.5 60.5-104.2 -23.3 15.2 47.6 47.0 70 212 A W H >< S+ 0 0 93 -4,-1.2 3,-2.2 -3,-0.3 -2,-0.2 0.934 100.2 54.3 -66.4 -40.8 14.3 46.1 50.3 71 213 A K T 3< S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.658 99.3 62.1 -71.7 -9.5 12.8 49.3 51.5 72 214 A K T 3 S+ 0 0 97 -3,-0.4 2,-0.7 1,-0.3 -1,-0.3 0.644 98.5 62.4 -83.8 -13.8 10.6 49.2 48.4 73 215 A I < + 0 0 12 -3,-2.2 -1,-0.3 -4,-0.3 3,-0.2 -0.710 62.0 167.3-103.3 82.4 9.2 46.0 49.8 74 216 A A S S+ 0 0 105 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.918 74.8 37.0 -60.6 -42.9 7.6 47.2 53.0 75 217 A N S S- 0 0 90 2,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.625 100.9-109.5 -69.9 -36.7 5.7 43.8 53.4 76 218 A N S S+ 0 0 85 -3,-0.2 2,-0.7 -6,-0.2 -2,-0.1 0.308 88.1 124.7 86.7 1.7 7.6 40.7 52.3 77 219 A C - 0 0 26 17,-0.2 2,-0.5 18,-0.1 17,-0.2 -0.711 41.8-177.1-108.3 94.5 5.0 41.0 49.6 78 220 A I E -B 93 0B 5 15,-2.8 15,-2.7 -2,-0.7 2,-0.3 -0.701 18.1-143.2 -93.3 126.7 5.8 41.1 45.8 79 221 A F E -B 92 0B 106 -2,-0.5 67,-0.5 13,-0.2 2,-0.4 -0.661 15.4-173.5 -85.0 137.3 3.0 41.6 43.3 80 222 A I E -Bc 91 146B 7 11,-1.9 11,-0.5 -2,-0.3 2,-0.4 -0.924 12.4-150.7-135.4 106.7 3.1 39.8 39.9 81 223 A V E -Bc 90 147B 15 65,-2.9 67,-3.1 -2,-0.4 2,-0.4 -0.653 15.5-164.2 -77.7 125.8 0.4 40.5 37.3 82 224 A I E -Bc 89 148B 18 7,-2.0 7,-1.5 -2,-0.4 2,-0.3 -0.927 3.6-160.6-113.8 138.8 -0.3 37.5 34.9 83 225 A H E -Bc 88 149B 35 65,-2.5 67,-1.6 -2,-0.4 2,-0.3 -0.873 16.5-179.9-125.6 144.5 -2.1 37.6 31.6 84 226 A R S S- 0 0 137 3,-1.6 2,-3.4 -2,-0.3 3,-0.4 -0.918 70.9 -48.0-134.0 117.4 -3.9 35.3 29.1 85 227 A S S S- 0 0 119 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.239 124.3 -21.4 68.0 -62.9 -5.4 36.6 25.9 86 228 A T S S+ 0 0 122 -2,-3.4 -1,-0.2 1,-0.1 0, 0.0 0.423 120.5 55.2-139.7 -68.9 -7.3 39.5 27.4 87 229 A T - 0 0 106 -3,-0.4 -3,-1.6 -4,-0.1 2,-0.3 0.113 58.3-171.5 -66.6-175.0 -8.0 39.5 31.1 88 230 A S E -B 83 0B 50 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.972 15.4-143.0-174.6 154.2 -5.6 39.0 34.0 89 231 A Q E -B 82 0B 140 -7,-1.5 -7,-2.0 -2,-0.3 2,-0.2 -0.995 17.2-135.2-137.5 143.0 -5.2 38.5 37.7 90 232 A T E -B 81 0B 77 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.586 19.0-158.5 -90.0 157.1 -2.7 39.8 40.1 91 233 A I E -B 80 0B 33 -11,-0.5 -11,-1.9 -2,-0.2 2,-0.6 -0.998 18.5-131.8-142.4 142.5 -1.0 37.8 42.8 92 234 A K E -B 79 0B 161 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.817 36.7-179.1 -91.0 120.2 0.8 38.4 46.1 93 235 A V E -B 78 0B 6 -15,-2.7 -15,-2.8 -2,-0.6 -17,-0.0 -0.893 28.5-118.9-123.5 147.3 4.1 36.5 46.1 94 236 A S > - 0 0 48 -2,-0.3 3,-4.0 -17,-0.2 36,-0.3 -0.748 26.8-124.4 -82.6 133.2 7.1 36.0 48.6 95 237 A P T 3 S+ 0 0 0 0, 0.0 36,-1.7 0, 0.0 37,-0.2 0.687 113.8 55.9 -53.5 -17.7 10.5 37.3 47.4 96 238 A D T 3 S+ 0 0 95 34,-0.2 2,-0.4 33,-0.2 -2,-0.0 0.343 82.0 118.8 -97.9 3.7 11.7 33.8 48.1 97 239 A D < - 0 0 49 -3,-4.0 33,-2.1 32,-0.1 34,-0.1 -0.603 57.5-135.0 -86.7 134.7 9.2 32.1 45.9 98 240 A T > - 0 0 44 -2,-0.4 4,-2.6 31,-0.2 5,-0.3 -0.219 24.3-112.1 -73.5 158.2 10.4 30.0 42.9 99 241 A P H > S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.894 125.1 51.8 -57.0 -35.8 8.9 30.1 39.4 100 242 A G H > S+ 0 0 36 26,-0.3 4,-2.2 2,-0.2 5,-0.2 0.944 109.4 48.7 -63.9 -45.2 7.7 26.7 40.2 101 243 A A H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 111.4 46.6 -59.8 -47.2 6.1 27.8 43.5 102 244 A I H < S+ 0 0 14 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.880 110.1 57.6 -62.9 -37.7 4.2 30.8 42.1 103 245 A L H >X S+ 0 0 25 -4,-1.8 3,-1.8 -5,-0.3 4,-1.6 0.953 106.0 47.3 -57.8 -55.1 3.0 28.4 39.3 104 246 A Q H 3X S+ 0 0 129 -4,-2.2 4,-1.0 1,-0.3 -1,-0.2 0.798 108.9 55.6 -58.4 -29.1 1.5 26.0 41.7 105 247 A S H 3< S+ 0 0 59 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.371 106.0 51.6 -81.6 3.3 -0.3 28.9 43.6 106 248 A F H <4 S+ 0 0 81 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.753 109.4 47.1-106.5 -42.6 -1.9 30.1 40.4 107 249 A F H < 0 0 93 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.781 360.0 360.0 -66.2 -31.4 -3.4 26.8 39.4 108 250 A T < 0 0 142 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.863 360.0 360.0 -71.2 360.0 -4.5 26.6 43.1 109 ! 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 0.0 110 267 A E 0 0 199 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.4 -1.0 21.2 31.8 111 268 A Q + 0 0 139 1,-0.1 2,-0.1 0, 0.0 -7,-0.0 -0.063 360.0 84.6-128.0 27.9 2.0 21.5 34.2 112 269 A D + 0 0 103 2,-0.0 2,-0.3 41,-0.0 -1,-0.1 -0.521 59.2 118.7-130.5 63.5 4.4 22.6 31.5 113 270 A F - 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0 0 12 1,-0.1 3,-1.7 4,-0.0 -1,-0.1 -0.247 36.9-104.0 -71.1 163.7 49.0 50.4 43.4 327 563 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.854 120.7 54.0 -57.3 -34.8 49.2 48.6 40.0 328 564 A L T 3 S+ 0 0 46 473,-0.1 -2,-0.0 2,-0.1 474,-0.0 0.454 77.1 110.3 -84.6 -4.1 50.8 51.6 38.5 329 565 A N S < S- 0 0 54 -3,-1.7 2,-0.1 -7,-0.1 -4,-0.0 -0.710 72.6-128.3 -77.6 114.8 53.6 51.9 41.0 330 566 A P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.358 19.1-124.9 -60.3 135.8 56.8 50.9 39.1 331 567 A L - 0 0 32 -2,-0.1 2,-0.1 27,-0.1 3,-0.0 -0.720 23.0-135.3 -86.1 136.0 58.9 48.2 40.8 332 568 A T > - 0 0 81 -2,-0.4 4,-3.5 1,-0.1 5,-0.2 -0.361 23.1-111.0 -84.4 168.2 62.5 49.1 41.5 333 569 A A H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.922 126.9 48.4 -59.2 -44.9 65.5 46.8 40.8 334 570 A E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 111.8 49.2 -59.5 -48.9 65.7 46.7 44.6 335 571 A D H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.943 112.1 47.4 -56.4 -51.1 62.0 46.0 44.8 336 572 A K H X S+ 0 0 71 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.870 109.2 52.2 -61.3 -42.5 62.1 43.2 42.2 337 573 A E H X S+ 0 0 138 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.872 111.9 48.6 -64.7 -29.3 65.2 41.5 43.8 338 574 A L H X S+ 0 0 17 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.931 109.6 50.5 -71.6 -47.8 63.4 41.4 47.2 339 575 A L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -2,-0.2 0.882 115.1 44.9 -54.6 -44.8 60.1 40.0 45.7 340 576 A W H >< S+ 0 0 48 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.930 109.1 51.9 -68.4 -50.5 62.1 37.2 44.0 341 577 A H H 3< S+ 0 0 138 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.860 118.1 40.0 -58.9 -31.5 64.3 36.3 46.8 342 578 A F T 3X S+ 0 0 35 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 -0.250 76.6 132.9-109.7 48.4 61.2 36.0 49.1 343 579 A R H <> + 0 0 28 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.893 65.8 55.1 -73.5 -28.1 59.1 34.4 46.5 344 580 A Y H 4 S+ 0 0 97 -3,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.835 114.4 41.5 -75.0 -26.3 57.7 31.6 48.7 345 581 A E H >4 S+ 0 0 31 -3,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.798 111.5 56.0 -80.9 -37.9 56.6 34.1 51.2 346 582 A S H >< S+ 0 0 0 -4,-2.4 3,-1.3 -7,-0.3 6,-0.3 0.763 96.6 66.7 -63.9 -26.3 55.3 36.4 48.5 347 583 A L T 3< S+ 0 0 13 -4,-1.6 -1,-0.2 1,-0.3 34,-0.2 0.657 85.9 69.3 -71.4 -17.6 53.2 33.5 47.2 348 584 A K T < S+ 0 0 112 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.494 92.3 68.3 -77.0 -7.1 51.0 33.6 50.4 349 585 A H X - 0 0 71 -3,-1.3 3,-2.1 1,-0.1 4,-0.5 -0.920 64.1-164.0-119.6 103.6 49.6 37.0 49.3 350 586 A P G > S+ 0 0 31 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.836 90.1 64.1 -52.8 -34.3 47.3 36.9 46.2 351 587 A K G 3 S+ 0 0 124 1,-0.3 4,-0.4 2,-0.1 -2,-0.0 0.615 97.3 56.5 -70.1 -6.5 47.8 40.8 45.9 352 588 A A G <> S+ 0 0 0 -3,-2.1 4,-4.2 -6,-0.3 -1,-0.3 0.629 79.7 93.0 -98.5 -7.7 51.5 40.3 45.2 353 589 A Y H <> S+ 0 0 1 -3,-1.4 4,-3.0 -4,-0.5 5,-0.3 0.866 85.0 47.3 -56.9 -53.2 51.1 38.1 42.2 354 590 A P H > S+ 0 0 5 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.969 120.1 40.0 -53.4 -48.9 51.2 40.8 39.6 355 591 A K H >> S+ 0 0 16 -4,-0.4 4,-0.8 1,-0.2 3,-0.6 0.919 115.2 53.0 -67.2 -41.1 54.2 42.3 41.2 356 592 A L H >< S+ 0 0 0 -4,-4.2 3,-0.8 1,-0.2 -1,-0.2 0.909 110.8 45.3 -62.7 -40.5 55.8 39.0 41.9 357 593 A F H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.569 108.8 57.5 -83.5 -4.7 55.5 37.7 38.4 358 594 A S H << S+ 0 0 26 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.582 97.9 61.2 -92.8 -14.6 56.8 41.0 37.1 359 595 A S S << S+ 0 0 9 -3,-0.8 2,-0.3 -4,-0.8 -2,-0.2 0.439 83.4 110.9 -86.7 -4.9 60.0 40.5 39.2 360 596 A V S S- 0 0 3 -3,-0.1 2,-1.4 -4,-0.1 3,-0.1 -0.523 70.5-135.8 -76.7 131.7 60.7 37.4 37.2 361 597 A K > + 0 0 123 -2,-0.3 3,-1.1 1,-0.2 7,-0.3 -0.752 26.7 177.9 -86.2 91.1 63.6 37.4 34.9 362 598 A W T 3 + 0 0 11 -2,-1.4 -1,-0.2 1,-0.3 -158,-0.1 0.517 69.0 77.5 -71.7 -6.4 61.9 35.7 31.9 363 599 A G T 3 S+ 0 0 13 -130,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.301 88.3 67.7 -84.2 7.5 65.0 36.0 29.9 364 600 A Q <> - 0 0 88 -3,-1.1 4,-2.2 1,-0.1 5,-0.2 -0.987 68.8-151.3-132.4 125.4 66.6 33.0 31.7 365 601 A Q H > S+ 0 0 76 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.927 94.9 55.0 -61.9 -47.6 65.4 29.4 31.5 366 602 A E H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 113.0 46.0 -53.7 -43.2 66.4 28.2 35.0 367 603 A I H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.951 109.0 50.6 -67.4 -49.9 64.4 31.0 36.5 368 604 A V H X S+ 0 0 16 -4,-2.2 4,-2.0 -7,-0.3 -1,-0.2 0.890 113.0 51.1 -53.2 -39.5 61.2 30.6 34.3 369 605 A A H X S+ 0 0 43 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.935 109.4 46.9 -60.4 -51.1 61.4 27.0 35.4 370 606 A K H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.866 111.0 54.9 -58.7 -33.5 61.7 28.0 39.1 371 607 A T H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.872 106.3 49.0 -66.8 -40.1 58.8 30.3 38.4 372 608 A Y H X S+ 0 0 73 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.764 108.0 55.3 -70.4 -31.4 56.7 27.3 37.1 373 609 A Q H >X S+ 0 0 112 -4,-1.8 4,-0.6 2,-0.2 3,-0.5 0.915 105.0 53.7 -63.0 -41.2 57.7 25.4 40.2 374 610 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.951 106.3 52.6 -58.7 -48.9 56.3 28.3 42.1 375 611 A L H >< S+ 0 0 5 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.751 97.7 63.1 -62.4 -27.9 53.1 28.0 40.2 376 612 A A H << S+ 0 0 91 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.659 97.6 59.4 -69.9 -11.7 52.6 24.2 41.0 377 613 A R T << S+ 0 0 159 -3,-1.6 3,-0.4 -4,-0.6 -1,-0.3 -0.360 70.3 144.0-108.8 49.4 52.3 25.1 44.8 378 614 A R <> + 0 0 70 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.063 15.2 126.4 -84.7 27.1 49.3 27.3 44.0 379 615 A E H > S+ 0 0 141 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.882 72.4 44.6 -50.5 -48.8 47.2 26.6 47.2 380 616 A V H > S+ 0 0 51 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.896 115.3 47.9 -68.3 -39.2 46.6 30.2 48.4 381 617 A W H 4 S+ 0 0 2 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.933 110.8 50.8 -66.0 -44.0 45.7 31.5 45.0 382 618 A D H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.4 42.4 -60.6 -39.6 43.3 28.6 44.3 383 619 A Q H < S+ 0 0 148 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.601 91.7 105.7 -87.6 -14.9 41.5 29.1 47.6 384 620 A S S < S- 0 0 27 -4,-1.2 2,-0.1 -3,-0.4 3,-0.1 -0.264 81.5-100.4 -66.2 151.6 41.4 32.9 47.5 385 621 A A - 0 0 90 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.437 51.7 -86.9 -71.2 151.3 38.1 34.6 46.7 386 622 A L - 0 0 49 -2,-0.1 2,-0.6 25,-0.1 -1,-0.1 -0.399 43.1-169.8 -64.2 122.1 37.9 35.8 43.2 387 623 A D > - 0 0 65 -2,-0.2 4,-3.6 1,-0.2 5,-0.2 -0.918 6.4-167.6-117.4 95.3 39.3 39.2 42.9 388 624 A V H > S+ 0 0 19 -2,-0.6 4,-3.4 1,-0.2 5,-0.2 0.913 88.2 51.0 -50.2 -48.8 38.4 40.5 39.5 389 625 A G H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.907 114.4 43.8 -54.7 -43.3 40.9 43.5 39.7 390 626 A L H > S+ 0 0 11 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.910 115.4 50.0 -68.5 -40.9 43.7 41.1 40.7 391 627 A T H < S+ 0 0 1 -4,-3.6 3,-0.3 1,-0.2 -2,-0.2 0.898 108.5 51.5 -68.2 -38.1 42.6 38.8 38.0 392 628 A M H >< S+ 0 0 1 -4,-3.4 3,-1.9 -5,-0.2 4,-0.3 0.883 102.0 61.1 -67.1 -35.2 42.5 41.5 35.3 393 629 A Q H >< S+ 0 0 16 -4,-1.8 3,-1.1 1,-0.3 5,-0.3 0.842 99.6 54.7 -61.8 -33.2 46.0 42.7 36.1 394 630 A L T 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.534 106.8 53.5 -78.5 -7.0 47.5 39.3 35.2 395 631 A L T < S+ 0 0 0 -3,-1.9 -1,-0.2 -4,-0.2 38,-0.2 0.359 89.9 95.7-106.2 3.9 45.7 39.6 31.8 396 632 A D S X S- 0 0 9 -3,-1.1 3,-1.4 -4,-0.3 -3,-0.0 -0.058 97.4 -77.7 -85.8-169.8 47.1 43.0 30.6 397 633 A C T 3 S+ 0 0 12 1,-0.3 -1,-0.1 37,-0.0 -3,-0.1 0.546 118.6 74.8 -65.8 -11.7 50.0 43.8 28.4 398 634 A N T 3 S+ 0 0 77 -5,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.427 90.5 58.8 -86.0 2.6 52.5 43.2 31.2 399 635 A F < + 0 0 12 -3,-1.4 -1,-0.1 34,-0.1 -199,-0.1 -0.937 42.4 159.8-140.0 110.0 52.2 39.4 31.1 400 636 A S + 0 0 20 -2,-0.4 2,-0.5 34,-0.1 -1,-0.1 0.495 46.8 108.2-104.9 -4.7 53.0 37.2 28.1 401 637 A D > - 0 0 2 1,-0.2 4,-2.7 -202,-0.1 5,-0.2 -0.614 60.0-151.5 -80.7 123.0 53.5 33.9 30.0 402 638 A E H > S+ 0 0 79 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.810 94.8 55.0 -68.0 -26.4 50.5 31.6 29.3 403 639 A N H > S+ 0 0 56 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 109.9 44.5 -69.9 -46.7 50.9 29.9 32.6 404 640 A V H >> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.6 0.974 118.0 45.6 -58.9 -50.4 50.8 33.2 34.6 405 641 A R H 3X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 3,-0.5 0.841 104.8 62.7 -64.5 -30.1 47.9 34.3 32.5 406 642 A A H 3X S+ 0 0 35 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.879 97.8 55.8 -65.1 -36.9 46.2 30.9 32.8 407 643 A I H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.5 3,-0.6 0.983 110.5 47.3 -71.9 -52.4 43.9 34.5 36.1 409 645 A V H 3X S+ 0 0 5 -4,-2.1 4,-1.1 1,-0.3 -2,-0.2 0.811 106.5 62.9 -56.1 -25.6 41.5 32.9 33.6 410 646 A Q H >< S+ 0 0 60 -4,-1.9 3,-0.9 1,-0.2 4,-0.4 0.944 103.0 45.4 -61.4 -49.3 41.3 30.1 36.3 411 647 A K H X< S+ 0 0 14 -4,-1.5 3,-1.2 -3,-0.6 -1,-0.2 0.860 106.4 62.2 -66.9 -28.1 39.8 32.5 38.7 412 648 A L H >< S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.770 86.4 74.0 -66.9 -28.2 37.5 33.8 36.0 413 649 A E T << S+ 0 0 77 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.773 89.9 59.3 -55.9 -27.2 35.9 30.3 35.6 414 650 A S T < S+ 0 0 83 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.403 78.9 114.1 -87.5 4.7 34.0 30.9 38.9 415 651 A L < - 0 0 9 -3,-2.1 2,-0.1 -4,-0.1 -3,-0.0 -0.585 64.2-133.6 -74.3 132.3 32.2 34.0 37.6 416 652 A E >> - 0 0 52 -2,-0.3 4,-2.0 1,-0.1 3,-0.9 -0.497 31.8 -99.5 -80.4 154.0 28.5 33.6 37.3 417 653 A D H 3> S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.792 121.5 61.3 -45.2 -31.6 26.9 34.9 34.0 418 654 A D H 3> S+ 0 0 8 -358,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.969 110.1 40.8 -60.3 -49.0 25.8 38.1 35.7 419 655 A D H <> S+ 0 0 27 -3,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.866 109.7 57.0 -73.2 -32.7 29.4 39.0 36.4 420 656 A V H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.3 -1,-0.2 0.881 105.4 53.6 -63.1 -40.1 30.7 37.8 33.1 421 657 A L H < S+ 0 0 28 -4,-2.2 4,-0.4 -5,-0.3 3,-0.3 0.843 104.3 56.6 -63.7 -30.1 28.2 40.2 31.5 422 658 A H H < S+ 0 0 31 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 121.1 25.7 -68.1 -36.6 29.7 42.9 33.6 423 659 A Y H X S+ 0 0 25 -4,-1.5 4,-2.5 -3,-0.2 5,-0.2 0.243 88.3 107.6-114.7 12.2 33.3 42.4 32.3 424 660 A L H X S+ 0 0 2 -4,-0.8 4,-2.9 -3,-0.3 5,-0.2 0.924 78.6 51.2 -57.9 -52.3 32.6 40.9 28.9 425 661 A L H > S+ 0 0 2 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.950 115.2 40.0 -54.4 -47.8 33.7 43.9 26.9 426 662 A Q H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.873 114.0 53.7 -79.7 -25.3 37.0 44.4 28.7 427 663 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.901 109.6 49.2 -65.5 -41.4 37.7 40.7 28.7 428 664 A V H >< S+ 0 0 0 -4,-2.9 3,-1.4 -5,-0.2 4,-0.3 0.959 112.3 47.4 -64.4 -39.7 37.1 40.6 25.0 429 665 A Q H >< S+ 0 0 7 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.835 101.5 67.9 -68.5 -26.7 39.5 43.6 24.6 430 666 A A H >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.3 4,-0.3 0.724 79.9 77.2 -70.8 -14.0 41.9 41.7 26.8 431 667 A V G X< S+ 0 0 0 -3,-1.4 3,-1.3 -4,-0.7 -1,-0.3 0.777 82.0 69.1 -62.6 -26.7 42.3 39.1 24.0 432 668 A K G < S+ 0 0 3 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.756 92.2 57.7 -64.4 -21.5 44.6 41.7 22.4 433 669 A F G < S+ 0 0 8 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.547 83.3 106.0 -88.5 -5.9 47.2 41.2 25.1 434 670 A E < - 0 0 16 -3,-1.3 -34,-0.1 -4,-0.3 5,-0.0 -0.568 64.4-147.8 -78.3 129.1 47.4 37.4 24.4 435 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.848 81.6 46.4 -62.5 -37.4 50.6 36.4 22.6 436 672 A Y S S- 0 0 15 1,-0.1 -2,-0.1 2,-0.1 -179,-0.0 -0.831 76.1-130.4-114.9 153.2 48.7 33.6 20.7 437 673 A H S S+ 0 0 15 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.857 100.7 59.0 -62.0 -40.5 45.4 33.4 18.8 438 674 A D S S+ 0 0 38 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.862 76.9 150.4 -94.1 115.8 44.4 30.2 20.8 439 675 A S > - 0 0 10 -2,-0.6 4,-3.2 1,-0.1 5,-0.3 -0.966 60.4-112.6-143.7 160.2 44.3 31.0 24.6 440 676 A A H > S+ 0 0 48 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.922 121.7 50.6 -58.6 -34.7 42.6 30.0 27.8 441 677 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 48.0 -67.8 -44.2 41.0 33.5 27.8 442 678 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 113.5 47.4 -62.3 -47.5 39.8 33.1 24.2 443 679 A R H X S+ 0 0 78 -4,-3.2 4,-2.9 2,-0.2 -1,-0.2 0.870 108.9 56.2 -63.1 -33.3 38.4 29.6 25.0 444 680 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.927 108.6 45.3 -62.1 -53.7 36.7 31.0 28.1 445 681 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 114.4 49.5 -52.8 -48.7 34.9 33.7 26.2 446 682 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.915 113.3 47.8 -56.4 -44.2 34.0 31.0 23.6 447 683 A K H X S+ 0 0 59 -4,-2.9 4,-1.4 1,-0.2 3,-0.5 0.959 114.5 42.2 -64.8 -54.0 32.7 28.7 26.4 448 684 A R H X S+ 0 0 8 -4,-2.9 4,-0.8 1,-0.2 8,-0.3 0.821 112.1 56.6 -64.9 -32.9 30.6 31.2 28.3 449 685 A G H < S+ 0 0 0 -4,-2.2 7,-0.4 -5,-0.3 -1,-0.2 0.813 109.7 43.9 -66.9 -34.2 29.2 32.7 25.1 450 686 A L H < S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.659 110.8 56.3 -83.1 -27.3 27.9 29.2 24.0 451 687 A R H < S+ 0 0 91 -4,-1.4 2,-0.4 1,-0.2 -2,-0.2 0.624 113.8 35.5 -78.4 -16.3 26.5 28.5 27.4 452 688 A N X - 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0 0 8 -3,-1.6 3,-1.8 -5,-0.2 -3,-0.2 0.869 26.6-153.0 42.9 55.9 43.8 59.7 45.8 810 1057 A V T 3 - 0 0 79 -2,-0.2 4,-1.6 -3,-0.1 -1,-0.1 -0.353 37.3-103.5 -73.7 157.5 43.6 58.2 54.5 814 1061 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.826 117.7 59.7 -56.1 -36.8 39.7 58.2 54.1 815 1062 A E H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.964 104.0 46.4 -60.3 -53.5 39.6 61.7 55.8 816 1063 A D H > S+ 0 0 87 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 112.3 52.9 -54.5 -47.1 41.8 63.6 53.3 817 1064 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.886 103.2 54.4 -55.7 -46.8 39.8 62.0 50.5 818 1065 A K H X S+ 0 0 100 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.950 117.2 39.7 -52.7 -48.0 36.5 63.1 51.9 819 1066 A K H X S+ 0 0 127 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.845 108.4 59.8 -68.5 -40.2 37.9 66.8 51.9 820 1067 A Y H X S+ 0 0 76 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.939 111.4 42.0 -54.1 -45.7 39.7 66.4 48.6 821 1068 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.862 111.7 54.2 -71.5 -38.8 36.4 65.7 47.0 822 1069 A L H X S+ 0 0 47 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.886 106.9 53.1 -60.5 -32.9 34.6 68.5 49.0 823 1070 A D H X S+ 0 0 64 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.929 106.8 52.2 -64.3 -45.2 37.3 70.9 47.7 824 1071 A Q H X S+ 0 0 32 -4,-1.8 4,-1.4 2,-0.2 -86,-0.2 0.833 104.7 54.3 -58.1 -41.3 36.4 69.8 44.2 825 1072 A I H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.7 0.966 110.3 49.2 -59.0 -48.5 32.7 70.5 44.8 826 1073 A E H 3X S+ 0 0 64 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.740 101.4 61.0 -62.0 -25.5 33.8 74.0 45.8 827 1074 A V H 3X S+ 0 0 40 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.896 104.2 51.0 -69.4 -32.3 35.9 74.5 42.7 828 1075 A C H < S+ 0 0 56 -4,-1.4 3,-2.7 1,-0.2 -2,-0.2 0.751 79.5 167.0 -91.1 -32.8 33.9 78.8 38.8 832 1079 A G T 3< S- 0 0 15 -4,-1.3 4,-0.3 1,-0.3 3,-0.2 -0.273 73.9 -13.5 58.9-119.0 30.1 78.9 38.3 833 1080 A W T 3> S+ 0 0 44 1,-0.2 4,-4.8 -2,-0.1 5,-0.3 0.430 109.1 102.9 -93.9 -3.3 29.4 79.5 34.6 834 1081 A T H <> S+ 0 0 57 -3,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.895 88.9 33.3 -48.5 -58.4 33.0 80.4 33.7 835 1082 A V H > S+ 0 0 13 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.867 122.1 50.9 -67.9 -37.5 34.0 77.2 32.1 836 1083 A Q H 4 S+ 0 0 2 -4,-0.3 3,-0.3 1,-0.2 -2,-0.2 0.934 109.3 49.2 -63.7 -49.6 30.5 76.6 30.8 837 1084 A F H < S+ 0 0 122 -4,-4.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 108.5 56.2 -57.5 -37.5 30.3 80.1 29.3 838 1085 A N H < S+ 0 0 93 -4,-1.7 2,-4.7 -5,-0.3 -1,-0.2 0.865 76.2 90.6 -63.0 -32.5 33.7 79.5 27.6 839 1086 A W < 0 0 117 -4,-1.4 -1,-0.1 -3,-0.3 -126,-0.1 -0.394 360.0 360.0 -75.0 81.3 32.5 76.4 25.9 840 1087 A F 0 0 226 -2,-4.7 -1,-0.3 0, 0.0 -2,-0.1 0.733 360.0 360.0 -75.4 360.0 31.8 79.1 23.4