==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-OCT-10 3P2B . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.S.KNAPP,R.A.ELLING,E.ORNELAS . 808 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 69.8 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 . 100 12.4 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 . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 35.5 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 4 1 3 2 3 2 2 3 2 2 2 1 0 0 2 0 1 0 0 0 1 0 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 . 5 4 4 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 0 126 0, 0.0 4,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.8 28.3 -29.1 -0.5 2 145 A E H > + 0 0 100 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.911 360.0 38.0 -48.8 -52.1 25.8 -26.9 -2.5 3 146 A E H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 107.1 65.0 -70.4 -37.2 24.2 -25.5 0.6 4 147 A S H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.781 102.3 51.4 -57.6 -27.7 27.4 -25.3 2.6 5 148 A Q H X S+ 0 0 66 -4,-1.5 4,-1.9 -3,-0.5 -1,-0.2 0.949 109.8 45.2 -73.7 -52.1 28.6 -22.7 0.1 6 149 A A H X S+ 0 0 65 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.706 112.3 58.0 -63.3 -19.1 25.5 -20.5 0.4 7 150 A F H X S+ 0 0 20 -4,-1.7 4,-2.7 2,-0.2 3,-0.3 0.962 106.2 43.2 -73.7 -56.5 25.9 -21.0 4.1 8 151 A Q H X S+ 0 0 26 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.784 113.8 55.4 -59.8 -27.3 29.4 -19.6 4.3 9 152 A R H X S+ 0 0 61 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.871 108.6 46.1 -71.7 -38.3 28.1 -16.8 2.0 10 153 A Q H X S+ 0 0 85 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.885 110.8 53.5 -71.0 -40.1 25.3 -16.0 4.5 11 154 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.2 3,-0.3 0.969 107.0 50.7 -55.9 -56.4 27.8 -16.1 7.4 12 155 A T H X>S+ 0 0 34 -4,-2.1 4,-3.4 1,-0.2 5,-0.7 0.876 107.1 55.4 -50.3 -43.0 30.1 -13.6 5.7 13 156 A A H <5S+ 0 0 63 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.934 114.6 38.7 -56.2 -49.0 27.1 -11.3 5.1 14 157 A L H <5S+ 0 0 4 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.909 118.3 48.5 -67.9 -45.6 26.2 -11.3 8.8 15 158 A I H <5S- 0 0 1 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.921 97.3-136.9 -60.4 -46.0 29.9 -11.2 10.0 16 159 A G T <5S+ 0 0 50 -4,-3.4 2,-0.3 -5,-0.3 -3,-0.2 0.523 79.6 70.2 91.8 10.8 30.8 -8.3 7.6 17 160 A Y S - 0 0 53 -2,-0.3 3,-1.2 1,-0.2 -9,-0.1 -0.715 22.4-174.8 -86.6 106.5 34.9 -13.4 4.9 19 162 A V T 3 S+ 0 0 12 -2,-0.9 -1,-0.2 1,-0.3 15,-0.1 0.774 80.5 66.7 -71.9 -27.4 36.6 -15.8 7.3 20 163 A T T 3 S+ 0 0 69 -12,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.334 79.0 112.8 -76.7 9.8 37.4 -18.3 4.6 21 164 A D < + 0 0 69 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.676 37.9 171.9 -84.3 138.2 39.8 -15.6 3.2 22 165 A V > + 0 0 108 -2,-0.3 3,-0.5 1,-0.1 -1,-0.1 0.132 48.6 98.4-135.8 17.5 43.5 -16.5 3.4 23 166 A S T 3 S+ 0 0 88 1,-0.2 2,-0.3 3,-0.0 -1,-0.1 0.809 82.2 52.7 -79.7 -30.5 45.2 -13.7 1.5 24 167 A N T 3 S+ 0 0 10 2,-0.0 253,-0.4 253,-0.0 2,-0.3 -0.303 93.8 91.5-103.1 49.6 46.2 -11.7 4.5 25 168 A V < - 0 0 43 -3,-0.5 3,-0.1 -2,-0.3 251,-0.1 -0.995 48.2-169.1-142.9 146.8 47.9 -14.4 6.5 26 169 A H S S+ 0 0 57 -2,-0.3 2,-0.2 232,-0.0 -1,-0.1 0.394 83.1 13.1-112.1 -3.0 51.5 -15.8 6.9 27 170 A D S S- 0 0 43 221,-0.0 4,-0.2 0, 0.0 3,-0.2 -0.781 80.9-101.5-150.5-163.0 50.4 -18.9 8.9 28 171 A D S > S+ 0 0 62 -2,-0.2 4,-3.4 1,-0.1 5,-0.3 0.110 72.4 118.6-121.1 20.7 47.3 -20.9 9.8 29 172 A E H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 393,-0.2 0.878 81.9 48.8 -55.5 -39.3 46.6 -19.8 13.4 30 173 A L H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 114.5 42.3 -66.4 -51.4 43.2 -18.5 12.3 31 174 A E H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.877 114.7 53.3 -61.7 -37.3 42.2 -21.6 10.4 32 175 A F H X S+ 0 0 78 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.832 111.7 45.4 -64.6 -33.7 43.7 -23.6 13.3 33 176 A T H X S+ 0 0 3 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.848 104.6 60.3 -80.3 -36.7 41.5 -21.6 15.7 34 177 A R H < S+ 0 0 39 -4,-2.8 4,-0.2 1,-0.2 -2,-0.2 0.895 113.6 39.2 -53.4 -40.3 38.4 -21.9 13.5 35 178 A R H >< S+ 0 0 169 -4,-1.5 3,-0.7 1,-0.2 4,-0.4 0.804 110.5 58.3 -82.8 -32.1 38.7 -25.7 14.0 36 179 A G H >< S+ 0 0 19 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.886 103.0 54.0 -62.8 -39.3 39.8 -25.5 17.6 37 180 A L T 3X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.607 84.5 85.8 -73.8 -12.6 36.6 -23.7 18.6 38 181 A V H <> S+ 0 0 44 -3,-0.7 4,-2.0 -4,-0.2 5,-0.3 0.847 89.8 51.3 -58.1 -34.1 34.4 -26.4 17.0 39 182 A T H <> S+ 0 0 97 -3,-1.0 4,-3.3 -4,-0.4 5,-0.3 0.983 109.6 45.0 -67.2 -59.3 34.6 -28.3 20.3 40 183 A P H > S+ 0 0 11 0, 0.0 4,-1.3 0, 0.0 -2,-0.2 0.867 114.8 52.7 -54.2 -37.4 33.6 -25.5 22.7 41 184 A R H >X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 3,-0.8 0.992 117.7 32.0 -59.7 -66.3 30.7 -24.6 20.3 42 185 A M H 3X S+ 0 0 116 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.852 114.9 60.8 -63.7 -36.1 29.1 -28.0 19.9 43 186 A A H 3< S+ 0 0 55 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.824 111.9 40.3 -58.8 -31.7 30.1 -28.9 23.5 44 187 A E H XX S+ 0 0 16 -4,-1.3 3,-1.7 -3,-0.8 4,-1.4 0.843 108.9 59.3 -85.8 -38.2 28.0 -26.0 24.6 45 188 A V H 3< S+ 0 0 31 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.896 107.0 48.0 -55.2 -42.4 25.1 -26.5 22.1 46 189 A A T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.265 110.3 53.4 -87.3 12.2 24.5 -30.0 23.5 47 190 A S T <4 S+ 0 0 88 -3,-1.7 2,-0.2 -5,-0.1 -1,-0.2 0.643 83.9 94.9-114.7 -27.6 24.5 -28.8 27.1 48 191 A R S < S- 0 0 26 -4,-1.4 388,-0.0 -3,-0.2 387,-0.0 -0.472 81.9-114.6 -72.9 134.5 21.9 -26.0 27.0 49 192 A D > - 0 0 86 -2,-0.2 4,-2.9 1,-0.2 5,-0.3 -0.586 20.7-141.8 -67.8 116.5 18.4 -26.8 28.0 50 193 A P H > S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.843 99.4 48.7 -49.1 -40.3 16.3 -26.3 24.8 51 194 A K H >> S+ 0 0 39 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.984 114.6 40.6 -65.1 -61.0 13.5 -24.9 26.9 52 195 A L H 3> S+ 0 0 80 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.796 115.8 53.0 -60.6 -29.9 15.5 -22.4 29.0 53 196 A Y H 3< S+ 0 0 4 -4,-2.9 384,-0.3 1,-0.2 -1,-0.3 0.806 107.7 51.3 -75.2 -28.7 17.6 -21.4 25.9 54 197 A A H << S+ 0 0 9 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.739 120.5 32.3 -79.7 -24.3 14.5 -20.7 23.9 55 198 A M H < S- 0 0 21 -4,-1.3 64,-0.8 -5,-0.1 -2,-0.2 0.578 84.9-157.5-110.7 -15.0 12.9 -18.4 26.4 56 199 A H < - 0 0 31 -4,-1.6 63,-0.2 -5,-0.2 -3,-0.1 0.847 12.6-150.1 39.4 60.9 16.0 -16.9 28.0 57 200 A P - 0 0 25 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 -0.411 9.3-133.4 -61.3 129.6 14.4 -15.8 31.3 58 201 A W + 0 0 67 61,-0.4 72,-1.6 -2,-0.1 73,-0.6 -0.749 45.9 150.6 -90.5 101.0 16.2 -12.8 32.6 59 202 A V B -A 129 0A 44 -2,-1.0 343,-0.3 70,-0.3 2,-0.3 -0.666 29.1-156.3-126.8 178.1 17.0 -13.4 36.3 60 203 A T - 0 0 3 68,-2.0 -2,-0.0 -2,-0.2 341,-0.0 -0.980 17.9-152.2-152.7 158.2 19.4 -12.7 39.1 61 204 A S + 0 0 91 -2,-0.3 -1,-0.1 2,-0.0 0, 0.0 0.709 63.6 109.8-103.2 -30.7 20.7 -14.1 42.4 62 205 A K S S- 0 0 55 66,-0.1 -2,-0.1 1,-0.1 535,-0.0 -0.024 76.7 -98.6 -45.6 148.7 21.6 -10.8 44.1 63 206 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.103 42.2 -90.4 -60.4 179.5 19.4 -9.7 47.0 64 207 A L - 0 0 45 1,-0.0 5,-0.1 2,-0.0 64,-0.0 -0.860 44.1-106.4 -99.5 130.2 16.7 -7.1 46.7 65 208 A P >> - 0 0 7 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.258 26.3-125.2 -52.9 135.7 17.6 -3.5 47.3 66 209 A E H 3> S+ 0 0 146 1,-0.3 4,-1.3 2,-0.2 534,-0.0 0.892 108.6 59.0 -51.3 -47.9 16.3 -2.3 50.7 67 210 A Y H 34 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 533,-0.0 0.809 113.7 39.0 -55.0 -31.6 14.4 0.7 49.2 68 211 A L H <4 S+ 0 0 42 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.801 101.0 71.9 -86.0 -33.1 12.4 -1.8 47.1 69 212 A W H < 0 0 169 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.797 360.0 360.0 -51.9 -29.0 12.1 -4.4 49.9 70 213 A K < 0 0 125 -4,-1.3 -2,-0.1 -3,-0.0 -3,-0.1 0.639 360.0 360.0 -77.8 360.0 9.7 -1.9 51.4 71 ! 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 72 220 A I 0 0 143 0, 0.0 15,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 156.7 2.2 -7.6 45.0 73 221 A F E -B 86 0B 45 13,-0.3 69,-0.6 11,-0.0 2,-0.4 -0.702 360.0-152.0-108.9 158.4 -0.2 -8.4 42.2 74 222 A I E -Bc 85 142B 16 11,-3.7 11,-2.6 -2,-0.2 2,-0.2 -0.994 14.0-133.9-130.4 133.4 0.3 -9.2 38.5 75 223 A V E -Bc 84 143B 14 67,-1.9 69,-2.7 -2,-0.4 2,-0.3 -0.582 17.6-155.9 -83.4 147.3 -2.2 -8.5 35.6 76 224 A I E - c 0 144B 15 7,-1.8 69,-0.2 -2,-0.2 67,-0.0 -0.926 6.6-161.0-122.4 151.6 -2.9 -11.2 33.1 77 225 A H + 0 0 62 67,-1.4 2,-1.4 -2,-0.3 5,-0.2 -0.405 18.6 164.5-135.2 59.5 -4.2 -10.7 29.5 78 226 A R S > S- 0 0 25 3,-0.3 3,-1.4 67,-0.1 5,-0.1 -0.645 73.6 -72.6 -74.0 95.4 -5.8 -13.8 28.0 79 227 A S T 3 S- 0 0 110 -2,-1.4 67,-0.0 1,-0.3 0, 0.0 -0.259 116.0 -9.2 48.7-126.8 -7.5 -12.1 25.1 80 228 A T T 3 S+ 0 0 139 2,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 0.858 120.0 94.5 -66.0 -36.1 -10.4 -10.1 26.5 81 229 A T < + 0 0 73 -3,-1.4 -3,-0.3 1,-0.1 0, 0.0 -0.354 49.1 176.2 -57.7 131.0 -9.9 -11.7 29.8 82 230 A S - 0 0 70 -5,-0.2 -5,-0.2 -2,-0.1 -1,-0.1 -0.382 7.2-179.6-136.8 57.3 -7.7 -9.6 32.1 83 231 A Q - 0 0 96 -8,-0.1 -7,-1.8 -5,-0.1 2,-0.5 -0.344 15.3-149.1 -62.7 135.3 -7.7 -11.4 35.5 84 232 A T E -B 75 0B 83 -9,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.942 18.8-175.4-113.3 122.5 -5.6 -9.6 38.1 85 233 A I E -B 74 0B 34 -11,-2.6 -11,-3.7 -2,-0.5 2,-0.3 -0.911 21.9-136.5-124.9 142.9 -3.8 -11.8 40.7 86 234 A K E -B 73 0B 81 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.756 27.6-169.3 -92.3 142.1 -1.8 -11.3 43.9 87 235 A V - 0 0 19 -15,-2.9 9,-0.0 -2,-0.3 -2,-0.0 -0.947 24.4-114.7-133.3 150.6 1.3 -13.4 44.3 88 236 A S > - 0 0 50 -2,-0.3 3,-1.2 1,-0.1 38,-0.3 -0.577 32.7-119.7 -77.4 148.4 3.9 -14.2 47.1 89 237 A P T 3 S+ 0 0 74 0, 0.0 38,-1.2 0, 0.0 39,-0.2 0.842 110.8 52.7 -57.8 -37.6 7.4 -13.0 46.3 90 238 A D T 3 S+ 0 0 96 35,-0.2 2,-0.6 36,-0.2 -2,-0.0 -0.100 81.4 125.3 -94.9 35.7 8.8 -16.6 46.5 91 239 A D < - 0 0 56 -3,-1.2 35,-1.0 33,-0.1 33,-0.1 -0.856 60.7-127.1-101.6 119.5 6.4 -18.1 44.1 92 240 A T >> - 0 0 31 -2,-0.6 4,-2.5 33,-0.2 3,-0.8 -0.320 23.4-120.2 -55.4 137.1 7.7 -20.0 41.0 93 241 A P H 3> S+ 0 0 4 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.768 118.4 51.9 -51.8 -26.8 6.2 -18.7 37.8 94 242 A G H 3> S+ 0 0 36 28,-0.4 4,-2.8 2,-0.2 5,-0.2 0.811 106.7 51.2 -78.9 -33.4 4.9 -22.2 37.4 95 243 A A H <> S+ 0 0 41 -3,-0.8 4,-0.9 2,-0.2 -1,-0.1 0.885 111.0 48.0 -69.0 -40.4 3.3 -22.2 40.8 96 244 A I H X S+ 0 0 18 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.852 113.5 49.5 -65.7 -35.3 1.6 -19.0 40.1 97 245 A L H >X S+ 0 0 26 -4,-1.1 4,-0.8 -5,-0.3 3,-0.5 0.925 110.4 47.7 -68.5 -46.6 0.5 -20.5 36.8 98 246 A Q H 3X S+ 0 0 131 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.668 109.4 57.0 -68.5 -16.2 -0.8 -23.7 38.5 99 247 A S H 3X S+ 0 0 65 -4,-0.9 4,-1.1 2,-0.2 3,-0.3 0.761 102.6 52.4 -82.4 -29.0 -2.5 -21.3 40.9 100 248 A F H << S+ 0 0 43 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.649 96.8 71.3 -77.6 -16.5 -4.3 -19.6 38.0 101 249 A F H < S+ 0 0 56 -4,-0.8 3,-0.4 1,-0.2 -1,-0.2 0.860 100.4 43.3 -66.8 -37.0 -5.5 -23.1 37.0 102 250 A T H < S+ 0 0 122 -4,-0.5 2,-1.7 -3,-0.3 -2,-0.2 0.892 106.4 61.2 -76.0 -41.7 -7.9 -23.3 40.0 103 251 A K < 0 0 63 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.1 -0.339 360.0 360.0 -84.5 56.0 -9.2 -19.8 39.6 104 252 A M 0 0 116 -2,-1.7 -1,-0.2 -3,-0.4 -2,-0.1 0.407 360.0 360.0-145.9 360.0 -10.6 -20.4 36.1 105 ! 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 0.0 106 267 A E 0 0 208 0, 0.0 2,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 82.0 -3.3 -29.6 28.8 107 268 A Q + 0 0 109 1,-0.1 2,-0.1 2,-0.0 -9,-0.0 -0.516 360.0 133.5 -77.7 77.6 -1.5 -27.0 30.9 108 269 A D + 0 0 113 -2,-2.1 2,-0.3 2,-0.0 -1,-0.1 -0.474 34.8 110.0-125.6 59.7 1.2 -26.2 28.4 109 270 A F - 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0 0 72 0, 0.0 4,-0.6 0, 0.0 5,-0.1 -0.143 360.0-117.8 -60.1 155.9 60.6 -10.3 59.1 297 549 A N H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.884 108.6 49.1 -63.5 -43.4 58.0 -7.9 60.4 298 550 A Q H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.971 109.2 48.3 -63.4 -57.3 59.3 -4.9 58.5 299 551 A L H 4 S+ 0 0 61 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.608 114.0 51.6 -63.9 -10.5 59.7 -6.4 55.0 300 552 A R H >X S+ 0 0 78 -4,-0.6 4,-1.5 -3,-0.3 3,-0.7 0.885 112.9 41.8 -81.7 -53.5 56.2 -7.7 55.6 301 553 A K H 3X S+ 0 0 127 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.751 111.5 60.7 -61.1 -24.4 54.9 -4.3 56.5 302 554 A Q H 3< S+ 0 0 76 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.783 108.5 38.7 -79.9 -28.8 56.9 -2.8 53.7 303 555 A L H <> S+ 0 0 10 -3,-0.7 4,-2.9 -4,-0.5 5,-0.2 0.673 99.4 74.5 -94.3 -20.3 55.3 -4.8 50.9 304 556 A E H X S+ 0 0 93 -4,-1.5 4,-2.3 1,-0.3 -2,-0.2 0.836 95.9 53.4 -59.6 -31.9 51.7 -4.5 52.3 305 557 A A H < S+ 0 0 68 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.886 108.6 50.3 -65.9 -39.9 51.9 -0.9 51.1 306 558 A I H 4 S+ 0 0 12 -4,-0.4 3,-0.5 1,-0.2 -2,-0.2 0.965 112.2 44.8 -61.3 -55.5 52.8 -2.3 47.7 307 559 A I H < S+ 0 0 16 -4,-2.9 2,-1.6 1,-0.3 -2,-0.2 0.908 109.2 59.3 -54.9 -45.3 49.9 -4.7 47.6 308 560 A A S < S+ 0 0 82 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.3 -0.394 88.8 99.1 -88.0 60.0 47.5 -2.1 48.9 309 561 A T S S- 0 0 35 -2,-1.6 4,-0.1 -3,-0.5 -3,-0.0 -0.995 79.5 -83.9-145.0 150.9 48.0 0.4 46.1 310 562 A D > - 0 0 11 -2,-0.3 3,-1.5 1,-0.1 444,-0.0 -0.020 36.5-117.3 -50.6 150.7 46.1 1.4 42.9 311 563 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 443,-0.0 0.661 114.1 62.4 -63.1 -18.0 46.7 -0.7 39.7 312 564 A L T 3 S+ 0 0 31 2,-0.1 -2,-0.1 465,-0.1 469,-0.0 0.139 77.6 105.3 -96.3 19.1 48.1 2.5 38.1 313 565 A N S < S- 0 0 50 -3,-1.5 -4,-0.1 -4,-0.1 -1,-0.0 -0.868 71.7-131.9-104.5 103.4 50.9 2.7 40.6 314 566 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.144 14.4-124.8 -56.0 141.2 54.2 1.6 38.9 315 567 A L - 0 0 25 24,-0.0 5,-0.0 4,-0.0 -9,-0.0 -0.804 23.1-143.2 -92.9 119.1 56.5 -0.9 40.6 316 568 A T > - 0 0 85 -2,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.075 32.8 -93.7 -68.3 176.7 60.0 0.3 41.1 317 569 A A H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.938 127.5 44.9 -58.6 -50.1 63.0 -2.0 40.8 318 570 A E H > S+ 0 0 127 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.883 107.0 61.0 -63.9 -39.4 63.1 -2.8 44.6 319 571 A D H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.949 107.3 44.1 -49.8 -54.1 59.3 -3.3 44.6 320 572 A K H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.865 113.5 49.7 -64.1 -40.0 59.5 -6.2 42.1 321 573 A E H X S+ 0 0 145 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.955 114.0 44.3 -63.9 -51.2 62.5 -7.9 43.8 322 574 A L H X S+ 0 0 21 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.917 114.8 50.6 -57.0 -44.3 60.9 -7.7 47.3 323 575 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 7,-0.2 0.815 115.0 43.3 -65.3 -31.8 57.6 -8.9 45.8 324 576 A W H >< S+ 0 0 39 -4,-1.8 3,-1.7 -5,-0.2 -2,-0.2 0.901 107.1 56.4 -82.6 -44.3 59.3 -11.8 44.0 325 577 A H H 3< S+ 0 0 133 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.891 115.5 39.4 -56.9 -41.9 61.6 -13.0 46.8 326 578 A F T >X S+ 0 0 43 -4,-1.6 4,-1.8 -5,-0.2 3,-1.0 -0.276 77.9 135.7-100.6 45.1 58.6 -13.5 49.1 327 579 A R H <> + 0 0 45 -3,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.849 68.1 55.7 -61.8 -36.9 56.4 -14.8 46.3 328 580 A Y H 34 S+ 0 0 114 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.658 112.7 43.4 -72.3 -14.9 55.0 -17.6 48.5 329 581 A E H X4 S+ 0 0 51 -3,-1.0 3,-0.6 -6,-0.1 4,-0.2 0.674 112.6 51.7 -97.5 -25.2 54.0 -15.0 51.0 330 582 A S H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 6,-0.2 0.779 97.5 67.8 -77.8 -28.7 52.6 -12.7 48.3 331 583 A L T 3< S+ 0 0 11 -4,-2.1 34,-0.4 1,-0.3 33,-0.3 0.460 88.0 69.4 -72.0 0.2 50.6 -15.6 46.8 332 584 A K T < S+ 0 0 110 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.736 90.6 64.4 -87.0 -26.2 48.5 -15.4 50.0 333 585 A H X - 0 0 75 -3,-1.4 3,-1.5 -4,-0.2 4,-0.2 -0.877 65.3-165.1-103.4 107.5 47.0 -12.1 49.0 334 586 A P G > S+ 0 0 29 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.794 88.0 66.9 -57.8 -30.9 44.8 -12.4 45.9 335 587 A K G 3 S+ 0 0 54 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.274 99.6 53.8 -75.3 13.7 44.8 -8.6 45.6 336 588 A A G <> S+ 0 0 0 -3,-1.5 4,-2.9 -6,-0.2 -1,-0.2 0.380 75.5 96.0-127.6 -3.0 48.6 -8.8 44.8 337 589 A Y H <> S+ 0 0 0 -3,-1.3 4,-2.9 2,-0.2 5,-0.3 0.937 83.9 51.9 -58.8 -51.2 48.7 -11.3 42.0 338 590 A P H > S+ 0 0 4 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.936 114.7 44.0 -50.2 -49.8 48.8 -8.7 39.2 339 591 A K H >> S+ 0 0 14 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.932 113.7 50.3 -59.9 -49.2 51.8 -7.0 41.0 340 592 A L H >< S+ 0 0 1 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.878 110.7 47.8 -59.3 -42.4 53.5 -10.3 41.7 341 593 A F H 3< S+ 0 0 2 -4,-2.9 3,-0.5 1,-0.3 -1,-0.3 0.573 106.1 59.2 -79.4 -8.8 53.3 -11.5 38.1 342 594 A S H << S+ 0 0 43 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.619 97.5 62.3 -84.8 -17.0 54.6 -8.1 36.9 343 595 A S S << S+ 0 0 13 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.201 84.0 113.5 -91.4 14.6 57.7 -8.8 39.0 344 596 A V - 0 0 14 -3,-0.5 2,-1.3 1,-0.0 3,-0.2 -0.705 66.4-137.8 -95.5 137.5 58.5 -11.9 36.9 345 597 A K > + 0 0 152 -2,-0.3 3,-1.6 1,-0.2 7,-0.4 -0.697 27.6 174.1 -87.0 83.6 61.5 -12.2 34.6 346 598 A W T 3 S+ 0 0 22 -2,-1.3 -1,-0.2 1,-0.3 6,-0.1 0.776 72.3 69.4 -63.2 -25.6 59.7 -13.8 31.7 347 599 A G T 3 S+ 0 0 19 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.286 90.8 72.1 -77.2 12.0 62.9 -13.6 29.7 348 600 A Q <> - 0 0 63 -3,-1.6 4,-2.4 1,-0.1 3,-0.5 -0.942 66.9-159.0-132.6 111.3 64.4 -16.3 32.0 349 601 A Q H > S+ 0 0 83 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.884 93.5 55.5 -55.8 -44.7 63.1 -19.9 31.6 350 602 A E H > S+ 0 0 99 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 110.9 46.1 -56.8 -39.5 64.3 -20.9 35.1 351 603 A I H > S+ 0 0 27 -3,-0.5 4,-1.8 -6,-0.2 3,-0.3 0.922 111.8 49.9 -69.9 -45.7 62.3 -18.0 36.6 352 604 A V H X S+ 0 0 19 -4,-2.4 4,-1.3 -7,-0.4 -2,-0.2 0.898 106.4 56.4 -59.3 -42.0 59.2 -18.8 34.5 353 605 A A H X S+ 0 0 47 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.852 107.6 49.6 -59.1 -35.3 59.4 -22.5 35.5 354 606 A K H X S+ 0 0 80 -4,-1.1 4,-1.9 -3,-0.3 -1,-0.2 0.877 102.5 59.4 -71.6 -40.1 59.2 -21.4 39.1 355 607 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.803 105.9 50.2 -60.0 -29.5 56.2 -19.1 38.6 356 608 A Y H X S+ 0 0 74 -4,-1.3 4,-2.1 2,-0.3 -1,-0.2 0.876 105.2 54.1 -76.6 -39.2 54.3 -22.1 37.4 357 609 A Q H < S+ 0 0 107 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.854 112.5 48.4 -55.1 -34.0 55.4 -24.1 40.5 358 610 A L H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.2 -2,-0.3 0.926 107.5 51.5 -72.2 -48.3 53.8 -21.0 42.2 359 611 A L H >< S+ 0 0 13 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.782 101.2 63.7 -60.3 -28.9 50.6 -21.1 40.1 360 612 A A T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.750 96.8 59.2 -67.0 -22.9 50.2 -24.8 41.1 361 613 A R T < + 0 0 161 -3,-1.5 2,-2.0 -4,-0.4 3,-0.5 -0.156 63.2 141.2 -99.5 38.4 49.9 -23.6 44.7 362 614 A R <> + 0 0 62 -3,-1.0 4,-1.5 1,-0.2 5,-0.3 -0.142 14.7 140.5 -74.9 44.9 46.8 -21.4 44.1 363 615 A E H > S+ 0 0 71 -2,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.890 76.6 33.5 -53.5 -40.9 45.3 -22.5 47.4 364 616 A V H >> S+ 0 0 44 -3,-0.5 4,-1.6 -33,-0.3 3,-0.6 0.967 112.0 54.5 -82.9 -58.7 44.1 -19.0 48.0 365 617 A W H 34 S+ 0 0 6 -34,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.787 108.8 52.7 -48.8 -34.1 43.2 -17.4 44.6 366 618 A D H 3< S+ 0 0 73 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.4 37.6 -71.0 -44.6 40.9 -20.3 43.8 367 619 A Q H << S+ 0 0 174 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.568 93.8 110.0 -86.3 -10.1 38.8 -20.2 47.0 368 620 A S S < S- 0 0 34 -4,-1.6 3,-0.1 1,-0.1 -4,-0.0 -0.361 81.0 -95.5 -72.3 145.2 38.7 -16.4 47.2 369 621 A A - 0 0 95 1,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.288 54.1 -90.8 -57.7 140.6 35.5 -14.4 46.6 370 622 A L - 0 0 53 -3,-0.1 2,-0.6 25,-0.1 -1,-0.1 -0.354 41.1-172.9 -62.2 120.4 35.4 -13.2 43.0 371 623 A D > - 0 0 78 -2,-0.2 4,-2.9 1,-0.2 5,-0.1 -0.927 4.1-171.3-113.7 103.6 36.9 -9.7 42.5 372 624 A V H > S+ 0 0 18 -2,-0.6 4,-3.3 2,-0.2 5,-0.3 0.932 86.1 54.7 -60.4 -49.3 36.1 -8.6 39.0 373 625 A G H > S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.889 114.7 42.3 -50.1 -41.9 38.3 -5.5 39.2 374 626 A L H > S+ 0 0 15 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.887 113.5 52.6 -71.8 -41.4 41.1 -7.9 40.2 375 627 A T H >< S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.933 107.6 49.9 -60.7 -49.1 40.2 -10.5 37.6 376 628 A M H >< S+ 0 0 0 -4,-3.3 3,-2.2 1,-0.2 4,-0.3 0.796 98.1 69.3 -62.4 -30.0 40.2 -8.0 34.7 377 629 A Q H >< S+ 0 0 18 -4,-0.9 3,-1.1 -5,-0.3 5,-0.3 0.857 94.7 54.7 -59.5 -36.2 43.6 -6.8 35.7 378 630 A L T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 14,-0.2 0.342 105.8 56.6 -78.3 7.8 45.2 -10.1 34.7 379 631 A L T < S+ 0 0 0 -3,-2.2 -1,-0.2 13,-0.1 38,-0.2 0.382 86.3 98.6-118.2 -0.7 43.5 -9.6 31.3 380 632 A D S X S- 0 0 12 -3,-1.1 3,-1.3 -4,-0.3 -3,-0.0 -0.036 96.1 -82.7 -78.8-173.1 45.0 -6.2 30.3 381 633 A C T 3 S+ 0 0 3 1,-0.3 -1,-0.1 -191,-0.0 -3,-0.1 0.582 117.0 78.1 -67.2 -10.0 48.0 -5.5 28.0 382 634 A N T 3 S+ 0 0 73 -5,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.475 88.7 59.1 -82.8 -1.5 50.3 -6.1 30.9 383 635 A F < + 0 0 6 -3,-1.3 -194,-0.1 1,-0.1 -1,-0.1 -0.975 41.1 160.2-136.9 121.8 50.1 -9.9 30.7 384 636 A S + 0 0 15 -2,-0.4 2,-0.8 34,-0.1 -1,-0.1 0.446 46.6 110.9-113.6 -7.9 51.0 -12.2 27.8 385 637 A D > - 0 0 3 1,-0.2 4,-2.5 -197,-0.1 3,-0.5 -0.613 59.0-152.1 -76.8 108.4 51.4 -15.4 29.7 386 638 A E H > S+ 0 0 45 -2,-0.8 4,-1.4 -162,-0.4 -1,-0.2 0.780 95.4 52.0 -49.4 -32.2 48.5 -17.6 28.7 387 639 A N H > S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 109.1 46.9 -75.3 -42.2 48.7 -19.4 32.1 388 640 A V H >4 S+ 0 0 0 -3,-0.5 3,-0.5 1,-0.2 4,-0.5 0.918 116.0 46.2 -62.5 -43.9 48.5 -16.2 34.2 389 641 A R H >X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 3,-0.9 0.823 105.3 62.2 -67.8 -31.6 45.6 -14.9 32.1 390 642 A A H 3X S+ 0 0 41 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.765 94.0 60.3 -69.0 -27.4 43.8 -18.3 32.3 391 643 A I H S+ 0 0 0 -3,-0.9 4,-1.1 -4,-0.5 3,-0.3 0.877 105.7 51.4 -77.4 -40.8 41.5 -14.9 35.7 393 645 A V H X S+ 0 0 4 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.817 102.7 61.3 -64.8 -31.3 39.0 -16.6 33.2 394 646 A Q H < S+ 0 0 64 -4,-1.4 3,-0.5 1,-0.2 4,-0.3 0.894 103.7 48.9 -62.0 -39.6 38.6 -19.4 35.8 395 647 A K H >< S+ 0 0 22 -4,-0.8 3,-1.0 -3,-0.3 4,-0.3 0.780 104.6 60.2 -69.6 -27.5 37.2 -16.8 38.2 396 648 A L H >< S+ 0 0 1 -4,-1.1 3,-1.4 1,-0.2 -1,-0.2 0.756 87.4 72.7 -72.4 -24.5 34.9 -15.5 35.5 397 649 A E T 3< S+ 0 0 78 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.763 90.3 62.8 -58.7 -23.2 33.3 -18.9 35.2 398 650 A S T < S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.759 81.6 103.2 -74.6 -26.8 31.7 -18.0 38.6 399 651 A L < - 0 0 13 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.0 -0.234 67.2-136.2 -57.8 142.1 29.8 -15.1 37.1 400 652 A E >> - 0 0 48 1,-0.1 4,-2.7 0, 0.0 3,-0.6 -0.584 31.8 -99.5 -90.5 164.7 26.1 -15.5 36.4 401 653 A D H 3> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 120.5 59.4 -51.5 -48.4 24.6 -14.2 33.1 402 654 A D H 3> S+ 0 0 8 -343,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.892 113.7 37.5 -48.6 -46.9 23.3 -11.0 34.7 403 655 A D H X> S+ 0 0 41 -3,-0.6 4,-1.6 2,-0.2 3,-0.8 0.872 110.9 59.2 -75.2 -39.2 26.9 -10.0 35.7 404 656 A V H 3X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.3 -2,-0.2 0.868 103.4 54.8 -54.7 -36.4 28.5 -11.4 32.5 405 657 A L H 3< S+ 0 0 26 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.3 0.768 102.4 57.5 -70.4 -27.3 26.2 -9.0 30.7 406 658 A H H << S+ 0 0 30 -3,-0.8 3,-0.2 -4,-0.6 4,-0.2 0.911 118.8 28.2 -67.2 -43.8 27.6 -6.1 32.7 407 659 A Y H X S+ 0 0 24 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.316 88.9 106.9-104.3 7.1 31.2 -6.6 31.7 408 660 A L H X S+ 0 0 2 -4,-0.7 4,-2.5 1,-0.2 5,-0.2 0.894 81.5 48.1 -53.0 -47.0 30.6 -8.2 28.3 409 661 A L H > S+ 0 0 7 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.2 0.946 113.1 46.4 -59.9 -51.5 31.7 -5.1 26.5 410 662 A Q H > S+ 0 0 0 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.850 113.3 51.1 -61.2 -35.6 34.9 -4.7 28.5 411 663 A L H < S+ 0 0 2 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.915 106.0 53.3 -68.9 -44.9 35.7 -8.4 28.1 412 664 A V H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.2 0.888 110.7 48.1 -56.8 -40.6 35.2 -8.4 24.3 413 665 A Q H >< S+ 0 0 6 -4,-1.9 3,-2.1 1,-0.2 4,-0.3 0.878 101.6 63.8 -67.0 -37.6 37.7 -5.6 24.2 414 666 A A G >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.563 84.1 78.3 -65.5 -8.0 40.1 -7.5 26.4 415 667 A V G X S+ 0 0 1 -3,-1.0 3,-1.0 -4,-0.4 -1,-0.3 0.721 82.3 65.4 -71.7 -21.6 40.3 -10.1 23.7 416 668 A K G < S+ 0 0 5 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 93.4 60.5 -71.5 -22.1 42.7 -7.8 21.8 417 669 A F G < S+ 0 0 7 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.515 82.1 106.5 -84.2 -5.8 45.2 -8.2 24.7 418 670 A E < - 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0 0 14 1,-0.1 3,-0.1 98,-0.1 -28,-0.1 -0.994 360.0-135.2-133.4 136.6 34.1 23.0 36.5 714 984 A P S S- 0 0 18 0, 0.0 -30,-0.5 0, 0.0 -29,-0.4 0.922 86.9 -25.3 -52.4 -49.3 34.1 19.6 38.2 715 985 A F S S- 0 0 0 85,-0.2 2,-0.8 -31,-0.2 -30,-0.2 -0.945 83.2 -73.7-156.8 171.6 30.6 18.9 36.8 716 986 A V + 0 0 6 -32,-0.7 -29,-0.1 -2,-0.3 -31,-0.1 -0.651 58.7 143.8 -81.4 111.3 27.5 20.8 35.7 717 987 A L + 0 0 4 -2,-0.8 91,-0.2 91,-0.2 -1,-0.1 -0.431 26.6 175.6-141.6 60.6 25.7 22.2 38.7 718 988 A T >> - 0 0 5 1,-0.1 3,-2.0 91,-0.1 4,-1.7 -0.265 45.8-103.6 -76.1 156.9 24.4 25.6 37.4 719 989 A P H 3> S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.612 119.2 64.0 -56.0 -17.5 22.1 28.0 39.4 720 990 A D H 3> S+ 0 0 0 2,-0.2 4,-1.2 3,-0.2 -73,-0.2 0.838 106.4 44.2 -73.7 -33.8 19.1 26.9 37.3 721 991 A F H X> S+ 0 0 1 -3,-2.0 4,-1.5 2,-0.2 3,-0.6 0.967 115.2 46.5 -68.0 -56.9 19.5 23.4 38.9 722 992 A L H 3X>S+ 0 0 11 -4,-1.7 5,-3.0 1,-0.3 4,-1.8 0.873 108.1 58.0 -52.5 -41.4 20.1 24.8 42.4 723 993 A F H 3<5S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.896 104.4 51.2 -56.7 -41.6 17.1 27.1 41.8 724 994 A V H <<5S+ 0 0 9 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.820 110.3 49.2 -65.3 -31.3 15.0 24.0 41.2 725 995 A M H <5S- 0 0 5 -4,-1.5 9,-0.6 -3,-0.2 10,-0.4 0.742 125.9-104.2 -78.2 -24.4 16.4 22.6 44.5 726 996 A G T <5S+ 0 0 44 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.598 73.4 139.3 109.5 19.2 15.5 25.8 46.3 727 997 A T < 0 0 8 -5,-3.0 -1,-0.3 -6,-0.1 4,-0.2 -0.785 360.0 360.0 -99.9 137.5 19.0 27.3 46.5 728 998 A S 0 0 114 2,-0.8 4,-0.0 -2,-0.4 -6,-0.0 -0.745 360.0 360.0-116.7 360.0 19.7 31.0 46.0 729 ! 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 0.0 730 1001 A K 0 0 173 0, 0.0 2,-1.1 0, 0.0 -2,-0.8 0.000 360.0 360.0 360.0 98.1 20.4 29.9 50.8 731 1002 A T - 0 0 76 -4,-0.2 -4,-0.1 4,-0.0 5,-0.0 -0.714 360.0-158.5 -92.2 93.3 20.8 26.2 51.5 732 1003 A S > - 0 0 11 -2,-1.1 4,-1.4 -10,-0.1 5,-0.1 -0.100 28.5-110.6 -63.2 164.7 17.4 24.7 50.8 733 1004 A P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.935 119.8 51.0 -60.7 -46.9 16.2 21.3 52.2 734 1005 A H H > S+ 0 0 58 -9,-0.6 4,-1.9 1,-0.2 -8,-0.1 0.859 103.9 57.8 -59.5 -38.9 16.5 19.7 48.8 735 1006 A F H > S+ 0 0 6 -10,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.885 108.7 45.2 -61.1 -39.3 20.0 21.0 48.3 736 1007 A Q H X S+ 0 0 113 -4,-1.4 4,-2.3 -3,-0.3 -1,-0.2 0.887 109.9 54.9 -68.0 -39.7 21.1 19.2 51.5 737 1008 A K H X S+ 0 0 69 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.835 110.8 49.1 -57.5 -33.1 19.2 16.2 50.3 738 1009 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.972 112.7 41.2 -71.6 -58.5 21.3 16.5 47.1 739 1010 A Q H X S+ 0 0 44 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.769 111.1 59.2 -65.7 -26.2 24.8 16.8 48.7 740 1011 A D H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.925 109.6 43.6 -65.4 -45.2 23.9 14.1 51.2 741 1012 A I H X S+ 0 0 12 -4,-1.3 4,-3.7 -5,-0.2 5,-0.4 0.968 109.0 57.0 -61.2 -55.7 23.3 11.8 48.3 742 1013 A C H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 109.7 45.4 -42.8 -52.5 26.4 12.8 46.4 743 1014 A V H X S+ 0 0 13 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.950 115.2 46.3 -58.4 -52.1 28.6 11.9 49.4 744 1015 A K H X S+ 0 0 46 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.898 117.1 44.4 -58.1 -42.3 26.8 8.6 49.9 745 1016 A A H X S+ 0 0 0 -4,-3.7 4,-1.2 2,-0.2 -1,-0.2 0.752 115.1 50.3 -74.0 -25.0 27.0 7.8 46.2 746 1017 A Y H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.4 -2,-0.2 0.910 109.3 46.8 -79.8 -46.3 30.6 9.0 46.1 747 1018 A L H X S+ 0 0 22 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.795 108.5 60.1 -66.3 -27.9 32.0 7.0 49.0 748 1019 A A H >< S+ 0 0 7 -4,-1.2 3,-0.8 -5,-0.3 -1,-0.2 0.954 104.8 46.1 -63.2 -51.8 30.2 4.0 47.6 749 1020 A L H >< S+ 0 0 0 -4,-1.2 3,-2.2 1,-0.2 7,-0.2 0.872 102.7 65.5 -59.1 -39.4 32.1 4.1 44.3 750 1021 A R H >< S+ 0 0 28 -4,-1.7 3,-2.2 1,-0.3 -1,-0.2 0.838 87.8 67.7 -54.5 -35.3 35.4 4.5 46.1 751 1022 A H T << S+ 0 0 109 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.376 105.6 44.9 -68.3 8.7 35.0 1.1 47.6 752 1023 A H T <> S+ 0 0 62 -3,-2.2 4,-2.5 2,-0.1 -1,-0.3 -0.037 71.8 132.0-138.9 29.3 35.5 -0.1 44.0 753 1024 A T H <> S+ 0 0 22 -3,-2.2 4,-2.9 1,-0.2 5,-0.2 0.940 72.6 52.3 -45.8 -60.6 38.4 2.1 43.0 754 1025 A N H > S+ 0 0 63 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.879 111.6 47.0 -46.5 -48.2 40.4 -0.7 41.5 755 1026 A L H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.971 112.7 46.9 -60.1 -56.9 37.5 -1.8 39.3 756 1027 A L H X S+ 0 0 10 -4,-2.5 4,-2.2 -7,-0.2 -1,-0.2 0.867 113.7 51.9 -53.8 -38.9 36.7 1.7 38.1 757 1028 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.968 110.2 44.3 -62.9 -56.3 40.4 2.2 37.4 758 1029 A I H X S+ 0 0 6 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.844 115.3 49.8 -61.8 -33.6 41.0 -0.9 35.3 759 1030 A L H X S+ 0 0 1 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.905 110.4 50.9 -67.7 -41.7 37.8 -0.2 33.4 760 1031 A F H X S+ 0 0 12 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.894 112.9 46.2 -60.9 -41.8 38.9 3.3 32.8 761 1032 A S H >X S+ 0 0 15 -4,-2.7 4,-2.7 1,-0.2 3,-0.7 0.953 112.8 47.0 -66.7 -52.3 42.3 2.0 31.5 762 1033 A M H 3X S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.597 106.8 63.0 -67.0 -10.3 40.8 -0.7 29.3 763 1034 A M H 3< S+ 0 0 1 -4,-0.8 4,-0.2 -5,-0.2 -1,-0.2 0.855 112.4 31.9 -80.8 -37.5 38.4 2.0 28.0 764 1035 A L H > - 0 0 75 -2,-0.6 5,-1.2 1,-0.2 4,-0.5 -0.315 26.3-170.5 -58.8 124.7 48.3 9.8 27.0 773 1044 A S T 45S+ 0 0 60 3,-0.2 -1,-0.2 1,-0.2 5,-0.0 0.618 84.5 62.7 -90.4 -15.8 48.3 6.9 29.5 774 1045 A K T 45S+ 0 0 85 3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.511 125.3 10.9 -84.4 -5.5 51.1 8.5 31.6 775 1046 A E T >45S+ 0 0 56 -3,-0.2 3,-1.2 -4,-0.0 -2,-0.1 0.521 128.3 41.6-132.3 -74.3 48.8 11.5 32.3 776 1047 A D G ><5S+ 0 0 83 -4,-0.5 3,-2.1 1,-0.3 4,-0.4 0.905 111.9 57.3 -50.7 -49.9 45.1 11.3 31.4 777 1048 A I G 3 S+ 0 0 82 -3,-2.1 4,-2.1 2,-0.2 3,-0.6 0.838 79.5 59.7 -86.9 -42.5 43.2 11.5 36.4 780 1051 A I H 3> S+ 0 0 0 -3,-0.5 4,-2.3 -4,-0.4 -2,-0.1 0.781 97.4 63.6 -58.3 -27.5 40.8 9.1 38.0 781 1052 A R H 34>S+ 0 0 54 -4,-0.2 5,-1.5 2,-0.2 -1,-0.2 0.944 106.5 41.7 -60.6 -49.0 43.3 8.6 40.8 782 1053 A D H X45S+ 0 0 103 -3,-0.6 3,-1.1 -4,-0.5 -2,-0.2 0.887 115.1 52.4 -64.0 -40.0 43.0 12.3 41.7 783 1054 A A H 3<5S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 107.5 49.8 -68.5 -35.2 39.2 12.2 41.3 784 1055 A L T 3<5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.291 104.4-127.0 -89.6 10.5 38.7 9.1 43.6 785 1056 A T T X 5 - 0 0 2 -3,-1.1 3,-1.0 1,-0.2 2,-0.2 0.911 35.9-165.1 42.7 56.6 40.8 10.6 46.4 786 1057 A V T 3 < + 0 0 43 -5,-1.5 -1,-0.2 1,-0.2 3,-0.1 -0.493 66.8 25.4 -73.0 139.4 42.9 7.5 46.6 787 1058 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.650 100.0 110.3 83.1 17.0 45.0 7.2 49.7 788 1059 A K S < S- 0 0 98 -3,-1.0 -1,-0.3 2,-0.0 5,-0.1 -0.984 73.9-104.9-129.0 136.1 42.7 9.3 51.8 789 1060 A N >> - 0 0 133 -2,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.166 33.7-111.5 -57.1 148.0 40.4 8.3 54.6 790 1061 A E H 3> S+ 0 0 95 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.827 118.7 54.1 -50.1 -37.5 36.7 8.1 53.9 791 1062 A E H 3> S+ 0 0 140 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.915 107.7 48.3 -65.7 -44.1 36.1 11.1 56.1 792 1063 A D H <> S+ 0 0 93 -3,-0.5 4,-1.4 1,-0.2 3,-0.3 0.875 107.3 58.1 -62.4 -37.8 38.6 13.3 54.2 793 1064 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.863 98.1 59.9 -61.3 -38.5 37.0 12.2 50.9 794 1065 A K H X S+ 0 0 88 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.900 104.4 49.3 -57.0 -44.1 33.6 13.6 52.0 795 1066 A K H X S+ 0 0 59 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.861 106.0 57.8 -65.4 -36.8 35.0 17.1 52.4 796 1067 A Y H X S+ 0 0 77 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.914 105.0 48.3 -62.2 -46.2 36.7 17.0 48.9 797 1068 A F H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.909 111.1 50.8 -63.1 -42.6 33.5 16.3 47.0 798 1069 A L H X S+ 0 0 59 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.872 108.2 53.4 -60.9 -37.6 31.7 19.1 48.8 799 1070 A D H X S+ 0 0 90 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.878 106.6 52.2 -62.9 -38.1 34.6 21.3 47.9 800 1071 A Q H X S+ 0 0 24 -4,-2.0 4,-1.0 2,-0.2 -85,-0.2 0.863 108.1 51.2 -65.8 -36.5 34.1 20.3 44.3 801 1072 A I H >X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 3,-0.8 0.919 105.1 56.7 -62.6 -44.8 30.4 21.3 44.7 802 1073 A E H 3X S+ 0 0 87 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.869 98.4 60.9 -54.3 -40.0 31.6 24.6 46.1 803 1074 A V H 3X S+ 0 0 29 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.888 106.0 47.6 -54.6 -39.9 33.6 25.1 42.8 804 1075 A C H < S+ 0 0 70 -4,-1.7 3,-2.9 -5,-0.2 -2,-0.2 0.831 78.0 159.4 -82.2 -34.4 31.4 29.6 38.9 808 1079 A G T 3< S- 0 0 19 -4,-2.8 4,-0.4 1,-0.3 -91,-0.2 -0.264 78.0 -5.4 52.0-113.7 27.6 29.4 38.5 809 1080 A W T 3> S+ 0 0 43 1,-0.2 4,-2.7 -2,-0.1 5,-0.3 0.593 113.1 96.1 -84.9 -13.1 26.9 30.4 34.9 810 1081 A T H <> S+ 0 0 81 -3,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.909 86.7 40.8 -41.6 -66.6 30.6 31.2 34.2 811 1082 A V H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.901 114.7 52.0 -52.6 -50.0 31.6 27.9 32.6 812 1083 A Q H > S+ 0 0 2 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.912 106.4 52.8 -56.1 -47.6 28.4 27.5 30.6 813 1084 A F H X S+ 0 0 102 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.850 108.7 52.2 -57.9 -35.1 28.6 30.9 29.1 814 1085 A N H X S+ 0 0 83 -4,-1.6 4,-3.1 -3,-0.3 -1,-0.2 0.885 106.9 50.7 -68.6 -40.6 32.2 30.0 28.0 815 1086 A W H X S+ 0 0 78 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.850 107.4 55.8 -62.8 -34.1 30.9 26.8 26.4 816 1087 A F H < S+ 0 0 18 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.887 112.1 42.7 -63.6 -39.8 28.4 29.0 24.6 817 1088 A L H >X S+ 0 0 66 -4,-1.6 4,-2.8 -5,-0.2 3,-2.1 0.981 115.0 47.6 -67.9 -59.5 31.2 31.1 23.2 818 1089 A H H 3< S+ 0 0 118 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.886 111.7 50.0 -49.4 -48.5 33.6 28.2 22.3 819 1090 A L T 3< S+ 0 0 77 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.140 118.7 39.8 -84.1 22.3 30.8 26.2 20.5 820 1091 A V T <4 0 0 127 -3,-2.1 -2,-0.2 -5,-0.0 -1,-0.2 0.480 360.0 360.0-134.6 -31.4 29.9 29.3 18.5 821 1092 A L < 0 0 162 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.229 360.0 360.0-110.2 360.0 33.2 30.9 17.7