==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 12-JUN-12 4FJY . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,J.TANG,P.YAKOWEC . 839 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 5 0.6 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 . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 4 3 1 2 3 1 2 4 0 1 2 0 1 2 1 0 0 0 0 0 2 0 0 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 . 6 3 3 2 3 3 0 3 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 2 1 1 1 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 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.4 31.5 -28.2 2.2 2 145 A E + 0 0 163 2,-0.1 4,-0.1 3,-0.0 0, 0.0 0.589 360.0 46.7-121.5 -22.6 28.3 -26.8 0.5 3 146 A E S > S+ 0 0 144 2,-0.2 4,-1.3 1,-0.1 5,-0.0 0.292 101.0 67.9-103.5 6.1 26.4 -25.1 3.3 4 147 A S H >>S+ 0 0 42 2,-0.2 4,-2.5 3,-0.2 5,-0.6 0.578 84.5 75.5 -86.1 -17.7 29.6 -23.4 4.5 5 148 A Q H 45S+ 0 0 125 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.806 109.0 27.7 -59.0 -34.9 29.2 -21.5 1.2 6 149 A A H >5S+ 0 0 59 -4,-0.1 4,-2.9 3,-0.1 5,-0.2 0.877 121.8 53.2 -86.6 -52.4 26.4 -19.6 2.9 7 150 A F H X5S+ 0 0 26 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.870 111.8 42.1 -56.2 -50.2 27.6 -19.8 6.5 8 151 A Q H X5S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.908 117.1 47.8 -66.2 -43.6 31.2 -18.5 6.0 9 152 A R H >S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 5,-0.6 0.883 109.1 50.3 -68.5 -36.6 32.1 -12.5 7.0 13 156 A A H <5S+ 0 0 65 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.3 42.9 -66.9 -28.5 29.1 -10.2 6.5 14 157 A L H <5S+ 0 0 2 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.770 118.3 42.9 -88.3 -30.6 28.5 -10.3 10.3 15 158 A I H <5S- 0 0 0 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.825 96.2-136.5 -83.2 -37.0 32.1 -9.9 11.3 16 159 A G T <5S+ 0 0 47 -4,-2.4 2,-0.3 -5,-0.2 -3,-0.1 0.647 77.5 76.6 83.1 18.3 32.9 -7.2 8.8 17 160 A Y S - 0 0 70 -2,-0.3 3,-0.6 1,-0.2 -9,-0.1 -0.610 28.9-173.7 -73.6 99.3 37.2 -12.0 5.9 19 162 A V T 3 S+ 0 0 12 -2,-1.1 -1,-0.2 1,-0.2 15,-0.1 0.799 79.7 55.9 -62.9 -34.0 38.7 -14.3 8.6 20 163 A T T 3 S+ 0 0 59 -3,-0.1 -1,-0.2 -12,-0.1 -2,-0.1 0.753 80.4 111.3 -74.4 -26.1 39.9 -16.9 6.1 21 164 A D < - 0 0 68 -3,-0.6 3,-0.1 1,-0.1 0, 0.0 -0.176 41.5-177.3 -54.4 137.8 42.0 -14.4 4.1 22 165 A V > + 0 0 98 1,-0.1 3,-0.6 3,-0.1 -1,-0.1 0.056 52.0 106.8-127.0 23.0 45.7 -15.0 4.4 23 166 A S T 3 S+ 0 0 77 1,-0.2 2,-0.2 3,-0.0 -1,-0.1 0.766 83.0 48.4 -71.7 -28.1 47.0 -12.1 2.3 24 167 A N T 3 S+ 0 0 8 -3,-0.1 264,-0.3 2,-0.0 2,-0.3 -0.465 94.7 86.1-115.2 60.6 48.2 -10.3 5.4 25 168 A V < - 0 0 45 -3,-0.6 3,-0.1 -2,-0.2 -3,-0.1 -0.900 46.4-166.8-139.3 173.1 50.1 -12.9 7.4 26 169 A H S S+ 0 0 51 -2,-0.3 2,-0.3 1,-0.1 -3,-0.0 0.071 83.5 17.4-146.1 17.2 53.7 -14.3 7.6 27 170 A D S S- 0 0 41 231,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.902 85.8 -98.4-169.6-171.4 52.8 -17.3 9.7 28 171 A D S > S+ 0 0 55 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.073 74.4 116.9-116.9 24.3 49.8 -19.4 10.6 29 172 A E H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 77.4 49.7 -60.7 -47.2 48.9 -18.1 14.1 30 173 A L H > S+ 0 0 20 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 114.4 44.0 -58.5 -46.4 45.4 -16.7 13.2 31 174 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 113.5 51.9 -66.8 -43.7 44.4 -19.9 11.4 32 175 A F H X S+ 0 0 59 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.929 107.6 53.0 -51.4 -49.7 45.8 -21.9 14.3 33 176 A T H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.801 103.4 56.7 -65.4 -30.3 43.8 -19.8 16.8 34 177 A R H >< S+ 0 0 37 -4,-1.5 3,-0.9 2,-0.2 4,-0.4 0.978 113.9 39.7 -59.3 -53.2 40.6 -20.5 14.9 35 178 A R H >< S+ 0 0 138 -4,-1.9 3,-1.2 1,-0.2 4,-0.5 0.875 111.7 57.6 -63.7 -39.4 41.2 -24.2 15.3 36 179 A G H 3< S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.675 103.7 54.3 -65.6 -17.6 42.4 -23.8 18.9 37 180 A L T S+ 0 0 47 -3,-1.2 4,-3.4 -4,-0.4 5,-0.2 0.934 89.8 51.5 -59.8 -47.8 36.8 -24.9 18.7 39 182 A T H > S+ 0 0 102 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.949 108.8 47.0 -57.5 -58.4 37.2 -26.8 21.9 40 183 A P H > S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.786 116.4 48.3 -57.9 -26.6 36.4 -24.0 24.4 41 184 A R H X S+ 0 0 5 -4,-1.4 4,-3.3 2,-0.2 3,-0.4 0.959 110.9 47.2 -72.6 -55.8 33.4 -23.2 22.2 42 185 A M H X S+ 0 0 79 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.867 110.9 56.2 -51.7 -39.5 32.2 -26.8 22.0 43 186 A A H X S+ 0 0 57 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.892 114.3 35.7 -62.9 -43.1 32.7 -27.0 25.8 44 187 A E H X S+ 0 0 15 -4,-1.3 4,-1.7 -3,-0.4 -2,-0.2 0.915 115.1 54.7 -77.8 -43.9 30.4 -24.0 26.5 45 188 A V H < S+ 0 0 33 -4,-3.3 3,-0.2 1,-0.2 -2,-0.2 0.932 116.3 39.9 -51.7 -48.1 27.9 -24.7 23.7 46 189 A A H < S+ 0 0 86 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.841 116.5 47.1 -75.1 -34.1 27.4 -28.2 25.2 47 190 A S H < S+ 0 0 86 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.596 87.6 100.1 -88.0 -11.3 27.5 -27.4 28.9 48 191 A R S < S- 0 0 27 -4,-1.7 412,-0.0 -3,-0.2 411,-0.0 -0.514 82.3-107.5 -78.3 143.5 25.1 -24.5 29.0 49 192 A D > - 0 0 82 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.578 24.4-142.5 -71.2 122.3 21.4 -25.0 30.0 50 193 A P H > S+ 0 0 76 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.871 95.4 39.6 -50.9 -47.9 19.2 -24.7 26.9 51 194 A K H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.877 114.2 49.9 -78.6 -42.9 16.3 -23.0 28.6 52 195 A L H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.811 112.0 51.3 -63.5 -31.6 18.2 -20.6 30.9 53 196 A Y H < S+ 0 0 5 -4,-1.9 408,-0.3 2,-0.2 -1,-0.2 0.839 108.7 51.5 -71.1 -34.9 20.2 -19.6 27.8 54 197 A A H < S+ 0 0 8 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.861 120.2 33.2 -69.8 -36.2 17.0 -19.0 25.9 55 198 A M H < S- 0 0 7 -4,-1.9 63,-0.5 94,-0.1 -2,-0.2 0.585 86.3-161.8-100.2 -12.4 15.6 -16.7 28.6 56 199 A H < - 0 0 24 -4,-1.5 62,-0.2 -5,-0.2 -3,-0.1 0.789 14.0-150.0 37.5 54.2 18.9 -15.2 29.7 57 200 A P - 0 0 24 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.279 5.9-136.0 -59.8 134.9 17.5 -14.0 33.1 58 201 A W + 0 0 68 60,-0.5 71,-2.1 -3,-0.2 72,-0.5 -0.809 40.4 159.0-100.3 105.9 19.5 -10.9 34.1 59 202 A V B -A 128 0A 40 -2,-0.9 367,-0.3 69,-0.2 2,-0.3 -0.896 27.2-160.2-134.9 152.8 20.3 -11.2 37.8 60 203 A T - 0 0 0 67,-3.1 365,-0.0 -2,-0.3 -2,-0.0 -0.777 12.7-156.4-124.1 168.0 22.6 -9.9 40.4 61 204 A S + 0 0 81 -2,-0.3 3,-0.1 2,-0.1 67,-0.1 0.235 58.5 112.4-131.8 9.4 23.7 -11.2 43.9 62 205 A K S S- 0 0 51 1,-0.1 -2,-0.1 65,-0.1 2,-0.1 -0.381 81.9 -87.2 -68.9 159.1 24.8 -7.9 45.4 63 206 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.422 44.1-102.8 -65.5 147.1 22.6 -6.7 48.3 64 207 A L - 0 0 4 1,-0.1 5,-0.1 -3,-0.1 63,-0.1 -0.666 55.7-111.1 -66.3 117.4 19.6 -4.6 47.4 65 208 A P >> - 0 0 5 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.093 14.8-109.4 -58.8 165.6 21.0 -1.1 48.3 66 209 A E H 3> S+ 0 0 118 561,-0.2 4,-1.8 1,-0.2 5,-0.1 0.843 117.0 58.7 -62.6 -35.5 19.9 1.1 51.2 67 210 A Y H 34 S+ 0 0 50 563,-0.3 -1,-0.2 1,-0.2 564,-0.0 0.753 109.7 43.3 -68.5 -23.1 18.3 3.6 48.8 68 211 A L H X4 S+ 0 0 5 -3,-0.7 3,-0.6 2,-0.2 -1,-0.2 0.732 108.8 55.4 -94.2 -25.9 16.0 0.9 47.3 69 212 A W H >< S+ 0 0 91 -4,-1.6 3,-1.9 1,-0.2 6,-0.2 0.878 101.4 59.2 -68.2 -39.2 15.0 -0.8 50.6 70 213 A K T 3< S+ 0 0 172 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.552 103.8 54.7 -65.0 -7.5 13.8 2.6 51.8 71 214 A K T < S+ 0 0 109 -3,-0.6 -1,-0.3 -5,-0.1 2,-0.3 0.432 83.0 105.7-103.6 -5.5 11.5 2.4 48.8 72 215 A I < - 0 0 33 -3,-1.9 2,-0.8 -4,-0.1 5,-0.1 -0.583 69.2-135.3 -75.3 137.0 10.0 -0.9 49.8 73 216 A A B > S-B 76 0B 61 3,-1.1 3,-1.2 -2,-0.3 -1,-0.1 -0.850 73.3 -38.7 -99.4 102.8 6.4 -0.6 51.1 74 217 A N T 3 S- 0 0 165 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.868 113.4 -55.9 47.4 50.0 6.0 -2.7 54.2 75 218 A N T 3 S+ 0 0 92 -6,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.773 118.1 111.8 58.2 29.0 8.2 -5.6 52.9 76 219 A C B < -B 73 0B 27 -3,-1.2 -3,-1.1 17,-0.2 2,-0.4 -0.995 45.1-172.7-138.3 129.7 5.8 -5.7 49.9 77 220 A I E -C 92 0C 11 15,-2.8 15,-1.6 -2,-0.4 2,-0.4 -0.934 22.8-127.7-117.5 147.3 6.2 -4.9 46.2 78 221 A F E -C 91 0C 111 -2,-0.4 63,-1.0 13,-0.2 2,-0.4 -0.760 20.5-173.0 -99.1 137.5 3.4 -4.9 43.6 79 222 A I E -Cd 90 141C 2 11,-1.8 11,-2.1 -2,-0.4 2,-0.5 -0.992 13.4-147.8-130.7 122.9 3.6 -6.8 40.3 80 223 A V E -Cd 89 142C 13 61,-2.5 63,-2.7 -2,-0.4 2,-0.4 -0.799 13.7-156.9 -93.9 128.6 0.9 -6.4 37.5 81 224 A I E -Cd 88 143C 20 7,-1.9 7,-1.5 -2,-0.5 2,-0.4 -0.913 5.1-154.9-112.7 131.7 0.3 -9.5 35.5 82 225 A H E +Cd 87 144C 24 61,-1.2 63,-2.0 -2,-0.4 5,-0.2 -0.867 22.8 162.1-114.2 136.3 -1.2 -9.4 32.0 83 226 A R S S- 0 0 219 3,-1.8 -1,-0.1 -2,-0.4 4,-0.1 0.678 72.1 -43.3-107.3 -90.0 -3.2 -12.0 30.0 84 227 A S S S- 0 0 109 2,-0.5 3,-0.0 0, 0.0 -2,-0.0 0.618 116.5 -29.9-106.6 -91.8 -5.2 -10.6 27.0 85 228 A T S S+ 0 0 131 -3,-0.1 2,-0.0 2,-0.0 -2,-0.0 0.855 124.9 74.3 -88.0 -54.4 -7.0 -7.3 27.8 86 229 A T + 0 0 113 -4,-0.1 -3,-1.8 2,-0.0 -2,-0.5 -0.284 56.0 167.8 -72.9 143.3 -7.5 -8.0 31.5 87 230 A S E -C 82 0C 47 -5,-0.2 2,-0.3 -4,-0.1 -5,-0.2 -0.972 14.3-158.8-146.9 153.0 -4.7 -7.9 34.1 88 231 A Q E -C 81 0C 159 -7,-1.5 -7,-1.9 -2,-0.3 2,-0.2 -0.999 18.5-119.9-141.6 148.4 -4.5 -7.8 37.9 89 232 A T E -C 80 0C 71 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.530 23.8-158.4 -84.2 146.0 -1.9 -6.7 40.5 90 233 A I E -C 79 0C 47 -11,-2.1 -11,-1.8 -2,-0.2 2,-0.2 -0.992 16.9-125.8-129.7 132.5 -0.4 -9.1 43.1 91 234 A K E +C 78 0C 166 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.556 37.2 179.6 -70.1 136.6 1.3 -8.4 46.4 92 235 A V E -C 77 0C 7 -15,-1.6 -15,-2.8 -2,-0.2 9,-0.0 -0.976 27.0-132.2-142.2 152.4 4.8 -9.9 46.7 93 236 A S > - 0 0 40 -2,-0.3 3,-4.5 -17,-0.2 32,-0.3 -0.941 32.7-115.4-109.0 128.7 7.7 -10.1 49.2 94 237 A P T 3 S+ 0 0 1 0, 0.0 32,-1.7 0, 0.0 33,-0.2 0.619 114.8 57.3 -34.6 -28.9 11.2 -9.3 47.9 95 238 A D T 3 S+ 0 0 100 29,-0.2 2,-0.1 30,-0.1 32,-0.0 0.609 77.9 121.2 -83.3 -11.8 12.3 -12.9 48.6 96 239 A D < - 0 0 41 -3,-4.5 29,-2.2 28,-0.1 30,-0.1 -0.293 55.8-142.4 -57.4 123.6 9.6 -14.4 46.4 97 240 A T - 0 0 38 27,-0.2 3,-0.3 28,-0.1 4,-0.2 -0.539 25.3-110.6 -79.3 152.3 11.0 -16.6 43.6 98 241 A P S >> S+ 0 0 5 0, 0.0 4,-1.4 0, 0.0 3,-1.3 0.866 122.3 52.0 -48.3 -42.3 9.3 -16.5 40.1 99 242 A G H 3> S+ 0 0 31 1,-0.3 4,-1.9 22,-0.2 5,-0.2 0.859 104.3 55.8 -62.4 -38.6 8.1 -20.1 40.7 100 243 A A H 34 S+ 0 0 47 -3,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.402 111.0 46.6 -72.6 0.7 6.7 -19.0 44.1 101 244 A I H <4 S+ 0 0 4 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.594 106.4 57.8-110.6 -24.8 4.8 -16.4 42.0 102 245 A L H < S+ 0 0 47 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.940 104.0 49.1 -70.1 -50.9 3.6 -18.9 39.4 103 246 A Q S < S+ 0 0 170 -4,-1.9 2,-2.2 1,-0.2 -1,-0.2 0.595 85.5 100.8 -64.3 -11.3 1.8 -21.3 41.8 104 247 A S 0 0 68 1,-0.2 -1,-0.2 -5,-0.2 -4,-0.1 -0.236 360.0 360.0 -75.9 51.2 0.1 -18.1 43.2 105 248 A F 0 0 169 -2,-2.2 -1,-0.2 0, 0.0 -2,-0.1 0.528 360.0 360.0-120.1 360.0 -3.2 -18.8 41.3 106 ! 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 0.0 107 269 A D 0 0 177 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.3 3.9 -24.5 31.9 108 270 A F - 0 0 112 39,-0.2 2,-0.3 -6,-0.0 39,-0.2 -0.383 360.0-145.0-109.1-179.1 4.2 -20.7 31.5 109 271 A V E -E 146 0C 7 37,-2.8 37,-2.9 -2,-0.1 2,-1.0 -0.992 21.5-115.7-153.6 137.1 6.8 -17.9 32.2 110 272 A L E -E 145 0C 8 9,-0.4 9,-2.7 -2,-0.3 2,-0.3 -0.660 34.7-174.7 -81.7 102.3 6.8 -14.3 33.3 111 273 A R E -EF 144 118C 14 33,-2.5 33,-3.0 -2,-1.0 7,-0.2 -0.743 29.3-109.5 -93.1 143.8 8.1 -12.1 30.5 112 274 A V E > -E 143 0C 1 5,-3.1 3,-0.9 -2,-0.3 2,-0.4 -0.445 38.0-103.5 -69.9 142.2 8.5 -8.3 31.1 113 275 A C T 3 S+ 0 0 20 29,-2.9 29,-0.1 1,-0.2 480,-0.1 -0.554 101.8 7.3 -70.0 120.9 6.1 -6.0 29.3 114 276 A G T 3 S+ 0 0 6 -2,-0.4 449,-0.5 1,-0.2 -1,-0.2 0.021 117.1 76.8 104.4 -22.5 7.7 -4.4 26.3 115 277 A R S < S- 0 0 36 -3,-0.9 2,-0.6 2,-0.2 -1,-0.2 -0.659 81.3-118.8-123.0 164.4 11.0 -6.3 26.3 116 278 A D S S+ 0 0 26 445,-2.4 2,-0.4 -2,-0.2 446,-0.1 -0.520 78.8 120.8 -94.9 59.1 12.7 -9.6 25.5 117 279 A E - 0 0 8 -2,-0.6 -5,-3.1 -5,-0.3 2,-0.3 -0.978 46.9-158.6-124.9 138.5 13.5 -9.8 29.2 118 280 A Y B -F 111 0C 22 -63,-0.5 2,-0.5 -2,-0.4 -60,-0.5 -0.884 20.6-147.7-121.2 149.1 12.4 -12.6 31.5 119 281 A L + 0 0 4 -9,-2.7 -9,-0.4 -2,-0.3 2,-0.3 -0.698 54.3 129.8-109.2 73.7 11.8 -13.1 35.3 120 282 A V + 0 0 17 -2,-0.5 2,-0.1 -65,-0.1 -2,-0.1 -0.928 29.1 55.3-123.2 152.8 12.8 -16.8 35.6 121 283 A G S S- 0 0 20 -2,-0.3 2,-2.5 1,-0.1 -22,-0.2 -0.240 87.0 -57.9 117.8 163.2 15.1 -18.8 37.8 122 284 A E S S+ 0 0 175 -25,-0.1 -1,-0.1 -2,-0.1 -25,-0.0 -0.422 95.1 99.8 -79.2 66.3 16.0 -19.7 41.4 123 285 A T S S- 0 0 32 -2,-2.5 5,-0.1 -27,-0.0 -62,-0.0 -0.969 80.5-100.7-142.3 145.3 16.7 -16.2 42.5 124 286 A P > - 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0 0 14 1,-0.1 3,-1.8 2,-0.1 -1,-0.1 -0.218 34.3-105.9 -73.3 162.3 49.6 3.2 43.6 335 563 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.716 118.6 57.2 -58.4 -23.4 49.8 1.2 40.3 336 564 A L T 3 S+ 0 0 40 2,-0.1 -2,-0.1 472,-0.1 476,-0.0 0.255 79.5 114.2 -94.5 10.5 51.3 4.3 38.6 337 565 A N < - 0 0 53 -3,-1.8 2,-0.2 1,-0.0 -4,-0.0 -0.742 69.0-122.1 -90.0 124.5 54.2 4.6 40.9 338 566 A P - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.425 19.2-141.3 -60.4 127.5 57.7 4.0 39.3 339 567 A L - 0 0 33 -2,-0.2 2,-0.0 27,-0.1 -9,-0.0 -0.855 16.5-145.2 -90.7 121.5 59.7 1.2 41.0 340 568 A T > - 0 0 62 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.280 31.4 -98.4 -72.3 168.1 63.3 2.0 41.2 341 569 A A H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 127.6 53.4 -52.8 -42.7 66.0 -0.6 40.9 342 570 A E H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 107.9 49.9 -59.4 -48.2 66.2 -0.7 44.7 343 571 A D H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.943 113.6 45.9 -53.0 -54.7 62.5 -1.3 44.9 344 572 A K H X S+ 0 0 70 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.875 111.7 49.4 -57.4 -48.0 62.6 -4.2 42.4 345 573 A E H X S+ 0 0 125 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.833 112.6 49.9 -62.8 -35.2 65.7 -5.9 44.0 346 574 A L H X S+ 0 0 23 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.938 111.6 46.3 -68.5 -49.2 64.0 -5.7 47.3 347 575 A L H < S+ 0 0 0 -4,-2.6 7,-0.3 1,-0.2 -2,-0.2 0.889 114.8 49.3 -58.8 -41.6 60.7 -7.2 46.1 348 576 A W H >< S+ 0 0 39 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.920 110.0 47.8 -66.9 -46.8 62.6 -9.9 44.2 349 577 A H H 3< S+ 0 0 121 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.907 116.4 44.7 -61.6 -39.9 64.8 -11.0 47.1 350 578 A F T 3X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 -0.116 76.5 142.2-101.4 31.5 61.8 -11.1 49.4 351 579 A R H <> + 0 0 44 -3,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.808 69.1 45.9 -15.6 -60.4 59.9 -12.9 46.7 352 580 A Y H > S+ 0 0 32 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.809 110.6 48.7 -83.0 -32.2 58.1 -15.2 49.2 353 581 A E H >4 S+ 0 0 17 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.885 112.7 52.1 -65.4 -40.9 57.1 -12.6 51.7 354 582 A S H >< S+ 0 0 0 -4,-2.7 3,-1.7 -7,-0.3 6,-0.4 0.810 99.6 63.1 -64.7 -32.8 55.8 -10.6 48.8 355 583 A L H 3< S+ 0 0 11 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 90.8 66.5 -66.8 -25.7 53.8 -13.6 47.6 356 584 A K T << S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.535 94.3 69.2 -70.0 -7.6 51.7 -13.5 50.8 357 585 A H X> - 0 0 62 -3,-1.7 3,-2.5 1,-0.1 4,-0.7 -0.903 64.9-163.5-117.3 102.5 50.3 -10.1 49.6 358 586 A P G >4 S+ 0 0 34 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.860 92.5 62.4 -49.2 -34.1 48.0 -10.3 46.6 359 587 A K G 34 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.615 95.6 59.8 -69.8 -12.4 48.6 -6.5 46.3 360 588 A A G <> S+ 0 0 0 -3,-2.5 4,-3.2 -6,-0.4 -1,-0.3 0.735 79.8 91.1 -82.5 -23.7 52.3 -7.0 45.6 361 589 A Y H S+ 0 0 7 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.949 120.7 41.6 -51.1 -50.0 51.8 -6.4 39.9 363 591 A K H 4 S+ 0 0 14 -4,-0.4 -2,-0.2 -3,-0.2 3,-0.1 0.824 114.9 52.6 -69.0 -32.3 54.8 -4.8 41.5 364 592 A L H >< S+ 0 0 0 -4,-3.2 3,-2.0 1,-0.2 4,-0.2 0.939 109.9 44.6 -71.4 -48.8 56.4 -8.2 42.1 365 593 A F H 3< S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.486 106.0 64.3 -78.7 -1.8 56.2 -9.5 38.6 366 594 A S T 3< S+ 0 0 35 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.315 97.1 58.5 -89.7 1.1 57.4 -6.1 37.5 367 595 A S S < S+ 0 0 11 -3,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.441 79.5 111.5-106.8 -5.4 60.6 -7.0 39.3 368 596 A V - 0 0 3 -4,-0.2 2,-1.2 1,-0.1 3,-0.1 -0.514 67.3-137.9 -72.2 131.2 61.3 -10.0 37.3 369 597 A K > - 0 0 122 -2,-0.3 3,-1.2 1,-0.2 7,-0.3 -0.832 23.0-173.5 -85.1 96.0 64.3 -9.8 35.0 370 598 A W T 3 S+ 0 0 15 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.596 73.0 73.9 -72.8 -11.9 62.6 -11.5 32.1 371 599 A G T 3 S+ 0 0 20 -141,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.345 85.4 78.0 -81.0 5.7 65.8 -11.6 30.1 372 600 A Q <> - 0 0 93 -3,-1.2 4,-2.5 1,-0.2 3,-0.4 -0.947 65.7-156.6-122.1 114.2 67.1 -14.4 32.3 373 601 A Q H > S+ 0 0 30 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.900 96.0 49.4 -50.1 -50.3 66.0 -18.0 31.9 374 602 A E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.839 110.5 50.4 -62.4 -36.2 66.8 -19.0 35.4 375 603 A I H > S+ 0 0 20 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.958 109.5 49.7 -65.8 -50.4 65.0 -16.0 36.9 376 604 A V H X S+ 0 0 14 -4,-2.5 4,-2.2 -7,-0.3 -2,-0.2 0.871 109.5 54.8 -55.3 -36.1 61.9 -16.7 34.9 377 605 A A H X S+ 0 0 18 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.945 107.0 47.6 -62.9 -48.5 62.2 -20.3 36.2 378 606 A K H X S+ 0 0 71 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.852 110.8 54.1 -59.5 -35.4 62.2 -19.0 39.8 379 607 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.879 108.9 46.9 -64.5 -41.2 59.2 -16.9 38.8 380 608 A Y H X S+ 0 0 53 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.886 110.4 52.9 -71.5 -37.2 57.4 -20.0 37.5 381 609 A Q H >< S+ 0 0 118 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.950 109.4 50.7 -53.1 -52.0 58.4 -21.9 40.7 382 610 A L H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.851 106.0 54.3 -56.6 -41.6 56.9 -19.0 42.7 383 611 A L H >< S+ 0 0 12 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.701 97.8 63.6 -69.9 -21.1 53.6 -19.1 40.7 384 612 A A T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.330 99.4 58.4 -81.8 8.9 53.1 -22.8 41.5 385 613 A R T < + 0 0 121 -3,-1.3 3,-0.4 1,-0.1 2,-0.3 -0.193 66.7 127.9-128.8 36.3 52.8 -21.7 45.2 386 614 A R <> + 0 0 59 -3,-0.7 4,-3.4 1,-0.2 5,-0.2 -0.166 14.4 130.5-102.4 44.6 49.9 -19.3 45.0 387 615 A E H > S+ 0 0 134 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.954 78.4 50.8 -46.6 -55.7 47.6 -20.6 47.7 388 616 A V H > S+ 0 0 55 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.882 114.2 42.9 -57.1 -46.8 47.3 -17.1 49.2 389 617 A W H >4 S+ 0 0 2 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.958 113.4 51.9 -59.4 -54.7 46.4 -15.6 45.7 390 618 A D H 3< S+ 0 0 65 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.760 115.5 42.7 -55.3 -30.0 44.0 -18.5 45.0 391 619 A Q H 3< S+ 0 0 156 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.704 90.1 106.6 -89.4 -24.5 42.3 -17.9 48.3 392 620 A S S << S- 0 0 27 -4,-1.5 3,-0.1 -3,-0.6 2,-0.1 -0.233 80.4-104.6 -59.1 142.5 42.1 -14.1 48.1 393 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.440 53.7 -82.7 -67.8 143.6 38.7 -12.5 47.4 394 622 A L - 0 0 53 25,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.190 45.1-172.6 -51.0 127.2 38.5 -11.2 43.9 395 623 A D > - 0 0 72 1,-0.1 4,-3.1 -3,-0.1 5,-0.1 -0.920 7.0-172.2-123.4 108.7 40.0 -7.8 43.3 396 624 A V H > S+ 0 0 18 -2,-0.4 4,-3.6 2,-0.2 5,-0.2 0.867 86.7 56.0 -67.7 -38.7 39.3 -6.5 39.8 397 625 A G H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.895 114.6 41.2 -58.5 -39.9 41.6 -3.5 40.2 398 626 A L H > S+ 0 0 10 2,-0.2 4,-1.0 1,-0.1 -2,-0.2 0.923 114.9 50.7 -71.1 -47.1 44.3 -5.9 41.0 399 627 A T H < S+ 0 0 1 -4,-3.1 3,-0.5 1,-0.2 4,-0.4 0.893 109.2 51.7 -58.0 -44.9 43.2 -8.4 38.3 400 628 A M H >X S+ 0 0 0 -4,-3.6 3,-2.4 1,-0.2 4,-0.9 0.919 101.1 60.8 -56.6 -46.7 43.1 -5.6 35.7 401 629 A Q H 3< S+ 0 0 11 -4,-1.4 3,-0.4 1,-0.3 5,-0.3 0.805 103.6 51.7 -54.9 -32.8 46.7 -4.4 36.5 402 630 A L T 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.536 107.9 51.4 -81.7 -9.5 48.0 -7.9 35.5 403 631 A L T <4 S+ 0 0 0 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.503 93.0 97.3-102.0 -6.5 46.2 -7.8 32.2 404 632 A D S >< S- 0 0 7 -4,-0.9 3,-1.3 -3,-0.4 -3,-0.0 0.068 96.4 -77.8 -75.4-172.8 47.6 -4.4 31.1 405 633 A C T 3 S+ 0 0 6 1,-0.3 -207,-0.1 -208,-0.1 -1,-0.1 0.561 118.6 69.9 -67.9 -13.4 50.5 -3.6 28.8 406 634 A N T 3 S+ 0 0 74 -5,-0.3 2,-0.4 -209,-0.2 -1,-0.3 0.337 89.6 69.8 -87.8 6.2 53.2 -4.2 31.5 407 635 A F < + 0 0 10 -3,-1.3 -1,-0.1 1,-0.1 -210,-0.1 -0.885 42.7 161.1-134.1 104.5 52.7 -8.0 31.5 408 636 A S + 0 0 15 -2,-0.4 2,-0.7 34,-0.1 -211,-0.1 0.050 45.8 110.2-103.0 17.8 53.7 -10.1 28.5 409 637 A D > - 0 0 2 1,-0.1 4,-2.8 -213,-0.1 3,-0.5 -0.878 58.5-151.2-112.8 112.4 53.7 -13.4 30.4 410 638 A E H > S+ 0 0 56 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.788 98.5 46.8 -37.3 -47.1 51.1 -16.1 29.7 411 639 A N H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 111.7 48.0 -75.2 -39.6 51.3 -17.5 33.2 412 640 A V H > S+ 0 0 0 -3,-0.5 4,-0.8 2,-0.2 -2,-0.2 0.932 116.2 45.9 -60.3 -43.7 51.1 -14.1 35.0 413 641 A R H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 3,-0.4 0.849 106.1 60.2 -70.3 -34.5 48.2 -13.2 32.8 414 642 A A H X S+ 0 0 35 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.893 99.7 55.5 -58.4 -44.1 46.5 -16.6 33.4 415 643 A I H X S+ 0 0 4 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.786 108.1 49.4 -64.6 -26.5 46.4 -16.0 37.2 416 644 A A H >X S+ 0 0 0 -4,-0.8 4,-1.6 -3,-0.4 3,-1.0 0.940 111.0 47.5 -74.2 -46.3 44.5 -12.8 36.5 417 645 A V H 3X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.3 -2,-0.2 0.812 104.7 64.4 -64.2 -25.8 42.0 -14.5 34.2 418 646 A Q H 3< S+ 0 0 68 -4,-2.2 4,-0.3 1,-0.2 -1,-0.3 0.871 103.3 46.2 -61.5 -38.1 41.8 -17.1 36.9 419 647 A K H X< S+ 0 0 20 -3,-1.0 3,-1.4 -4,-0.9 -2,-0.2 0.849 104.9 58.9 -77.3 -33.9 40.3 -14.6 39.2 420 648 A L H >< S+ 0 0 1 -4,-1.6 3,-2.2 1,-0.3 -1,-0.2 0.798 87.6 79.7 -61.7 -30.1 37.8 -13.2 36.6 421 649 A E T 3< S+ 0 0 74 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.802 90.0 53.4 -44.9 -34.1 36.4 -16.8 36.5 422 650 A S T < S+ 0 0 85 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.538 78.6 115.9 -89.9 -8.3 34.5 -16.0 39.6 423 651 A L < - 0 0 7 -3,-2.2 2,-0.2 -4,-0.2 -3,-0.0 -0.391 68.2-125.1 -56.5 130.3 32.7 -12.9 38.5 424 652 A E >> - 0 0 50 1,-0.1 3,-1.6 -2,-0.1 4,-1.2 -0.520 34.5 -99.1 -71.8 151.3 29.0 -13.3 38.3 425 653 A D H 3> S+ 0 0 46 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.727 121.5 64.7 -47.4 -27.6 27.6 -12.4 34.8 426 654 A D H 3> S+ 0 0 4 -367,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.934 103.5 44.8 -61.2 -46.7 26.6 -9.0 36.1 427 655 A D H <> S+ 0 0 37 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.764 105.4 61.3 -71.9 -26.5 30.2 -7.9 36.7 428 656 A V H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 3,-0.4 0.942 105.2 48.8 -64.6 -43.9 31.3 -9.3 33.4 429 657 A L H < S+ 0 0 24 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.901 108.5 54.5 -57.2 -42.8 28.9 -6.8 31.8 430 658 A H H < S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 123.9 25.2 -61.3 -30.4 30.4 -4.1 34.0 431 659 A Y H X S+ 0 0 22 -4,-1.5 4,-2.8 -3,-0.4 -2,-0.2 0.487 90.9 103.9-113.5 -6.4 33.9 -4.9 32.8 432 660 A L H X S+ 0 0 1 -4,-2.2 4,-3.5 1,-0.2 5,-0.2 0.873 81.3 49.4 -46.2 -56.1 33.3 -6.4 29.4 433 661 A L H > S+ 0 0 2 -4,-0.5 4,-3.1 1,-0.3 -1,-0.2 0.928 114.9 43.3 -51.5 -58.2 34.4 -3.4 27.3 434 662 A Q H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.856 114.8 50.8 -55.8 -40.4 37.6 -2.9 29.2 435 663 A L H X S+ 0 0 0 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.959 109.6 50.2 -63.3 -50.6 38.3 -6.7 29.1 436 664 A V H >< S+ 0 0 0 -4,-3.5 3,-2.0 1,-0.2 4,-0.4 0.958 111.6 48.5 -49.3 -53.5 37.7 -6.8 25.4 437 665 A Q H >< S+ 0 0 5 -4,-3.1 3,-1.9 1,-0.3 -1,-0.2 0.862 101.5 64.8 -57.8 -32.4 40.1 -3.8 25.0 438 666 A A H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 4,-0.3 0.608 82.0 77.8 -69.2 -10.2 42.6 -5.7 27.2 439 667 A V G X< S+ 0 0 1 -3,-2.0 3,-1.5 -4,-0.6 -1,-0.3 0.820 80.9 70.8 -63.6 -28.7 42.9 -8.3 24.5 440 668 A K G < S+ 0 0 1 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.677 95.6 51.0 -60.5 -20.9 45.1 -5.8 22.7 441 669 A F G < S+ 0 0 10 -3,-1.3 -1,-0.3 -38,-0.2 -2,-0.2 0.519 82.8 109.5 -95.2 -9.3 47.8 -6.4 25.3 442 670 A E < - 0 0 10 -3,-1.5 -34,-0.1 -4,-0.3 -37,-0.0 -0.531 64.8-145.2 -70.5 127.2 47.8 -10.1 24.9 443 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.813 80.8 41.9 -64.2 -28.6 51.0 -11.3 23.2 444 672 A Y S S- 0 0 5 2,-0.1 -2,-0.0 1,-0.1 -186,-0.0 -0.781 77.4-126.7-119.4 160.8 49.2 -14.1 21.3 445 673 A H S S+ 0 0 13 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.873 102.7 57.8 -72.3 -37.6 45.8 -14.4 19.5 446 674 A D S S+ 0 0 29 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.846 76.4 139.6 -91.7 126.4 44.9 -17.5 21.6 447 675 A S > - 0 0 12 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.981 65.6-102.5-160.1 157.6 45.0 -16.6 25.3 448 676 A A H > S+ 0 0 43 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.833 120.7 53.7 -50.4 -37.6 43.1 -17.3 28.6 449 677 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 108.8 46.4 -68.8 -42.9 41.5 -13.8 28.3 450 678 A A H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.916 115.9 46.3 -64.4 -42.6 40.2 -14.4 24.7 451 679 A R H X S+ 0 0 79 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.863 109.2 55.2 -66.5 -38.5 38.8 -17.8 25.8 452 680 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.898 111.3 43.7 -60.8 -43.3 37.3 -16.4 28.9 453 681 A L H X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.812 112.6 56.1 -68.2 -33.9 35.4 -13.8 26.9 454 682 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.906 113.9 36.3 -62.8 -44.8 34.5 -16.5 24.5 455 683 A K H X S+ 0 0 54 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.903 116.3 50.0 -86.5 -37.2 32.9 -18.8 27.0 456 684 A R H X S+ 0 0 6 -4,-2.3 4,-0.6 1,-0.2 8,-0.2 0.856 112.4 51.6 -62.7 -35.8 31.2 -16.1 29.2 457 685 A G H < S+ 0 0 0 -4,-1.5 3,-0.4 -5,-0.2 7,-0.4 0.874 111.8 45.8 -64.9 -39.3 29.9 -14.7 26.0 458 686 A L H < S+ 0 0 0 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.693 108.8 55.6 -77.1 -22.0 28.5 -18.1 25.0 459 687 A R H < S+ 0 0 92 -4,-1.4 2,-0.4 1,-0.2 -1,-0.2 0.613 113.3 41.1 -86.6 -13.2 27.0 -18.8 28.4 460 688 A N X - 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0 0 16 -4,-1.4 4,-0.4 -5,-0.6 2,-0.4 -0.849 65.3-154.4-110.5 94.8 42.6 7.8 22.9 800 1040 A P + 0 0 81 0, 0.0 -520,-0.1 0, 0.0 -4,-0.1 -0.562 53.7 118.3 -62.6 120.7 45.2 7.8 20.1 801 1041 A Q S S- 0 0 118 -2,-0.4 3,-0.2 -522,-0.2 -522,-0.1 0.174 91.0-102.3-169.7 13.7 47.5 10.6 21.3 802 1042 A L - 0 0 85 1,-0.2 -523,-0.6 -524,-0.1 -522,-0.1 0.699 58.4-143.1 53.8 23.0 50.9 8.7 21.8 803 1043 A T - 0 0 0 -4,-0.4 -524,-1.3 -525,-0.2 -1,-0.2 0.315 18.9-155.3 -31.5 121.0 49.6 9.1 25.4 804 1044 A S > - 0 0 40 -3,-0.2 4,-1.6 -526,-0.1 3,-0.4 -0.306 33.2 -99.1 -94.7 173.1 52.4 9.7 27.9 805 1045 A K H > S+ 0 0 123 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.890 123.6 60.9 -53.5 -42.9 53.0 9.2 31.6 806 1046 A E H 4 S+ 0 0 125 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.845 102.4 50.0 -54.7 -41.4 52.0 12.9 32.0 807 1047 A D H >4 S+ 0 0 50 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.921 116.7 41.1 -63.5 -43.0 48.6 12.2 30.5 808 1048 A I H >< S+ 0 0 8 -4,-1.6 3,-1.4 1,-0.2 4,-0.4 0.864 99.9 70.0 -77.6 -36.8 48.0 9.3 32.9 809 1049 A E T 3X S+ 0 0 69 -4,-3.5 4,-1.3 1,-0.3 3,-0.3 0.557 79.5 86.0 -58.8 -6.4 49.5 10.9 36.0 810 1050 A Y H <> S+ 0 0 80 -3,-0.8 4,-2.5 -4,-0.2 -1,-0.3 0.916 84.5 51.0 -59.7 -46.5 46.5 13.2 36.0 811 1051 A I H <> S+ 0 0 2 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.687 101.0 62.7 -72.5 -20.6 44.2 10.8 37.9 812 1052 A R H 4>S+ 0 0 56 -4,-0.4 5,-1.7 -3,-0.3 -1,-0.2 0.966 111.7 37.9 -61.1 -53.2 46.8 10.4 40.6 813 1053 A D H ><5S+ 0 0 99 -4,-1.3 3,-1.9 3,-0.2 -2,-0.2 0.910 114.9 55.0 -61.1 -46.3 46.5 14.1 41.4 814 1054 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.874 115.0 38.0 -59.8 -42.5 42.7 14.1 40.8 815 1055 A L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -103,-0.1 -2,-0.2 0.130 107.9-131.1 -92.8 18.4 42.1 11.3 43.3 816 1056 A T T X 5 - 0 0 17 -3,-1.9 3,-0.9 1,-0.1 -3,-0.2 0.820 27.8-155.3 26.9 70.7 44.8 12.8 45.6 817 1057 A V T 3 - 0 0 87 -2,-0.2 4,-1.8 -3,-0.1 5,-0.2 -0.295 29.1-104.2 -74.5 165.6 44.5 11.4 54.0 821 1061 A E H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 119.2 51.2 -61.5 -42.8 40.7 11.6 53.9 822 1062 A E H > S+ 0 0 137 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.954 110.6 48.2 -57.2 -53.0 40.6 14.9 55.8 823 1063 A D H > S+ 0 0 88 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.822 112.2 48.1 -59.9 -38.9 43.1 16.6 53.4 824 1064 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.808 102.9 61.6 -74.5 -33.8 41.4 15.5 50.2 825 1065 A K H X S+ 0 0 93 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.880 108.9 43.6 -57.3 -39.5 37.9 16.6 51.4 826 1066 A K H X S+ 0 0 96 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.729 109.5 57.5 -80.1 -24.5 39.3 20.1 51.6 827 1067 A Y H X S+ 0 0 77 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.947 110.9 42.4 -64.2 -49.7 41.0 19.6 48.2 828 1068 A F H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.887 111.6 54.1 -66.6 -39.2 37.6 18.8 46.6 829 1069 A L H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.834 104.6 56.0 -64.9 -32.2 35.9 21.6 48.5 830 1070 A D H X S+ 0 0 105 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.901 105.0 53.2 -59.1 -43.6 38.5 24.0 47.1 831 1071 A Q H >X S+ 0 0 27 -4,-1.5 4,-1.7 2,-0.2 3,-1.1 0.955 107.0 50.0 -56.3 -56.1 37.5 22.8 43.6 832 1072 A I H 3X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.908 110.0 52.5 -46.4 -47.5 33.8 23.5 44.2 833 1073 A E H 3X S+ 0 0 97 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.698 102.0 57.8 -70.7 -20.7 34.9 27.0 45.4 834 1074 A V H < S+ 0 0 67 -4,-2.5 3,-2.2 1,-0.2 2,-0.3 0.722 76.6 172.2 -72.3 -25.5 34.7 31.9 38.4 839 1079 A G T 3< S- 0 0 20 -4,-1.2 4,-0.2 -3,-0.3 -1,-0.2 -0.324 70.8 -12.5 55.4-111.2 30.9 32.2 37.8 840 1080 A W T 3> S+ 0 0 45 -2,-0.3 4,-2.7 1,-0.1 -1,-0.3 0.262 106.3 106.5-106.0 7.7 30.2 32.7 34.0 841 1081 A T H <> S+ 0 0 60 -3,-2.2 4,-2.2 2,-0.2 -1,-0.1 0.943 84.0 33.9 -54.9 -62.4 33.8 33.3 33.0 842 1082 A V H > S+ 0 0 13 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 118.8 53.6 -64.6 -43.9 34.8 30.1 31.3 843 1083 A Q H > S+ 0 0 10 -4,-0.2 4,-0.9 1,-0.2 3,-0.4 0.943 112.9 43.4 -51.4 -55.4 31.3 29.5 29.9 844 1084 A F H < S+ 0 0 132 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.861 109.9 58.5 -56.2 -41.2 31.4 33.0 28.3 845 1085 A N H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 94.2 64.6 -64.3 -34.3 35.0 32.4 27.1 846 1086 A W H < S+ 0 0 112 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.905 85.9 80.2 -53.4 -47.4 34.0 29.4 25.1 847 1087 A F < 0 0 103 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.764 360.0 360.0 -23.2 -84.0 31.8 31.5 22.8 848 1088 A L 0 0 212 -4,-0.4 -1,-0.1 -3,-0.1 -3,-0.1 0.879 360.0 360.0 41.3 360.0 34.3 33.2 20.3