==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-APR-08 3CST . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.XIE,R.MARMORSTEIN . 836 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 68.4 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 . 107 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 290 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 5 1 1 3 0 1 3 0 3 2 0 1 2 2 0 0 0 0 1 0 1 0 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 . 4 5 3 2 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 141 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.6 35.0 -29.5 50.6 2 144 A S >> - 0 0 84 1,-0.2 4,-1.2 3,-0.1 3,-0.7 -0.081 360.0-122.8 -48.9 143.2 38.7 -29.0 51.3 3 145 A E H 3> S+ 0 0 129 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.682 115.7 67.3 -60.7 -15.2 39.7 -25.9 53.3 4 146 A E H 3> S+ 0 0 108 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.942 96.8 49.1 -69.5 -48.9 41.7 -25.4 50.2 5 147 A S H <> S+ 0 0 13 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.793 109.4 52.7 -61.8 -31.0 38.6 -24.9 48.0 6 148 A Q H X S+ 0 0 95 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.868 107.1 51.7 -72.0 -37.6 37.3 -22.4 50.6 7 149 A A H X S+ 0 0 41 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.717 111.1 49.8 -70.7 -22.2 40.5 -20.4 50.5 8 150 A F H X S+ 0 0 20 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.884 107.5 50.1 -81.8 -44.0 40.2 -20.3 46.7 9 151 A Q H X S+ 0 0 32 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.734 111.1 54.1 -64.5 -22.9 36.6 -19.1 46.7 10 152 A R H X S+ 0 0 201 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.915 108.4 46.6 -75.2 -45.6 37.9 -16.5 49.0 11 153 A Q H >X S+ 0 0 70 -4,-1.4 4,-1.5 2,-0.2 3,-0.5 0.952 112.1 50.2 -61.3 -52.0 40.6 -15.4 46.6 12 154 A L H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-1.1 0.951 106.0 56.5 -50.4 -55.7 38.2 -15.3 43.7 13 155 A T H 3X>S+ 0 0 32 -4,-1.8 4,-2.8 1,-0.3 5,-0.8 0.853 105.8 52.3 -45.5 -39.7 35.8 -13.1 45.7 14 156 A A H <<5S+ 0 0 61 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.846 109.7 46.7 -67.4 -35.9 38.6 -10.6 46.2 15 157 A L H <<5S+ 0 0 4 -4,-1.5 -2,-0.2 -3,-1.1 -1,-0.2 0.898 116.9 44.9 -72.0 -41.4 39.4 -10.3 42.5 16 158 A I H <5S- 0 0 1 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.890 96.9-135.2 -70.4 -45.3 35.7 -10.0 41.7 17 159 A G T <5S+ 0 0 50 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.613 77.9 74.8 93.0 13.0 34.8 -7.5 44.4 18 160 A Y S - 0 0 65 -2,-0.3 3,-1.6 1,-0.1 -9,-0.1 -0.804 19.7-169.7 -94.3 105.1 30.7 -12.7 46.9 20 162 A V T 3 S+ 0 0 15 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.370 87.1 61.2 -73.5 4.9 28.9 -14.8 44.3 21 163 A T T 3 S+ 0 0 63 -12,-0.1 -1,-0.3 11,-0.0 2,-0.1 0.447 81.1 110.7-106.3 -6.0 28.0 -17.2 47.2 22 164 A D < + 0 0 46 -3,-1.6 3,-0.0 1,-0.1 -4,-0.0 -0.405 42.2 179.8 -66.5 142.9 26.1 -14.4 48.8 23 165 A V > + 0 0 103 -2,-0.1 3,-0.7 3,-0.1 -1,-0.1 0.005 45.7 113.7-136.3 27.1 22.3 -14.9 48.8 24 166 A S T 3 S+ 0 0 94 1,-0.2 2,-0.2 0, 0.0 -1,-0.0 0.870 82.8 36.7 -66.2 -39.8 21.2 -11.7 50.6 25 167 A N T 3 S+ 0 0 4 268,-0.0 265,-0.4 -3,-0.0 2,-0.3 -0.463 95.6 101.0-116.3 58.5 19.5 -10.1 47.6 26 168 A V < - 0 0 52 -3,-0.7 3,-0.1 -2,-0.2 -3,-0.1 -0.920 41.2-173.3-137.0 161.8 17.8 -13.0 45.7 27 169 A H S S+ 0 0 59 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.196 80.2 12.5-137.9 8.4 14.3 -14.5 45.4 28 170 A D S S- 0 0 43 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.914 83.3 -96.6-166.0-174.7 15.2 -17.6 43.4 29 171 A D S > S+ 0 0 65 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.058 73.9 118.6-110.5 28.7 18.3 -19.6 42.3 30 172 A E H > S+ 0 0 4 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.944 78.0 51.5 -56.7 -54.0 19.0 -18.2 38.7 31 173 A L H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 114.9 41.3 -47.1 -57.0 22.4 -16.9 39.7 32 174 A E H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.903 112.3 56.0 -60.4 -41.8 23.4 -20.3 41.2 33 175 A F H X S+ 0 0 63 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.943 110.8 46.5 -53.5 -46.1 21.7 -22.0 38.3 34 176 A T H X S+ 0 0 2 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.827 104.9 56.9 -65.7 -39.8 24.0 -19.9 36.1 35 177 A R H X S+ 0 0 43 -4,-2.2 4,-0.6 2,-0.2 3,-0.3 0.968 114.0 41.1 -57.8 -50.8 27.2 -20.5 37.9 36 178 A R H >< S+ 0 0 151 -4,-2.2 3,-1.7 1,-0.2 4,-0.5 0.939 111.3 58.9 -60.9 -47.1 26.8 -24.3 37.4 37 179 A G H 3< S+ 0 0 20 -4,-2.5 3,-0.3 -5,-0.3 -1,-0.2 0.797 101.2 54.1 -53.7 -33.9 25.6 -23.7 33.8 38 180 A L H 3X S+ 0 0 2 -4,-2.0 4,-2.3 -3,-0.3 -1,-0.3 0.661 84.2 86.4 -78.9 -14.4 28.7 -22.0 32.8 39 181 A V H S+ 0 0 95 -4,-0.5 4,-3.6 -3,-0.3 5,-0.2 0.913 111.2 48.2 -53.4 -57.5 30.7 -26.7 30.6 41 183 A P H > S+ 0 0 14 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.875 115.3 50.1 -54.2 -38.5 31.3 -23.7 28.2 42 184 A R H >X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 3,-1.1 1.000 114.4 40.1 -61.7 -69.5 34.2 -22.9 30.4 43 185 A M H 3X S+ 0 0 88 -4,-3.0 4,-2.2 1,-0.3 5,-0.2 0.828 110.9 58.4 -50.2 -38.6 35.7 -26.3 30.4 44 186 A A H 3X S+ 0 0 63 -4,-3.6 4,-0.9 -5,-0.2 -1,-0.3 0.860 113.4 39.5 -62.4 -34.7 34.9 -26.9 26.7 45 187 A E H < S+ 0 0 31 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.988 113.1 46.8 -50.8 -57.8 39.9 -24.3 28.3 47 189 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 111.9 50.6 -52.4 -39.1 40.3 -27.8 26.8 48 190 A S H 3< S+ 0 0 90 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.2 0.770 88.1 100.3 -76.5 -24.2 40.1 -26.6 23.2 49 191 A R S << S- 0 0 28 -4,-1.9 408,-0.0 -3,-0.9 407,-0.0 -0.474 77.5-118.5 -73.6 127.7 42.8 -23.8 23.5 50 192 A D > - 0 0 74 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 -0.430 19.1-146.1 -63.2 109.3 46.4 -24.4 22.3 51 193 A P H > S+ 0 0 73 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.776 93.0 51.6 -48.2 -34.1 48.6 -24.1 25.4 52 194 A K H > S+ 0 0 135 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.955 114.2 37.9 -70.6 -55.3 51.5 -22.5 23.4 53 195 A L H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.826 113.4 58.8 -66.2 -31.1 49.7 -19.8 21.5 54 196 A Y H < S+ 0 0 8 -4,-2.5 404,-0.3 2,-0.2 -1,-0.2 0.876 106.7 47.9 -66.6 -36.9 47.5 -19.0 24.6 55 197 A A H < S+ 0 0 7 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.888 120.9 35.9 -70.8 -38.7 50.6 -18.4 26.6 56 198 A M H < S- 0 0 17 -4,-1.6 70,-0.6 101,-0.1 -2,-0.2 0.429 85.4-163.5 -92.7 -4.2 52.1 -16.1 23.9 57 199 A H < - 0 0 24 -4,-1.3 -3,-0.1 -5,-0.1 402,-0.1 0.688 15.2-150.3 23.6 52.1 48.7 -14.6 22.9 58 200 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 69,-0.1 -0.057 6.8-132.4 -44.9 146.4 50.1 -13.2 19.5 59 201 A W + 0 0 69 67,-0.6 78,-2.1 400,-0.0 79,-0.4 -0.903 42.9 157.0-109.3 105.5 48.2 -10.0 18.5 60 202 A V B -A 136 0A 35 -2,-0.7 363,-0.5 76,-0.2 2,-0.3 -0.897 28.0-155.9-130.6 158.7 47.3 -10.4 14.8 61 203 A T - 0 0 0 74,-2.2 -2,-0.0 -2,-0.3 361,-0.0 -0.961 14.6-154.3-131.7 146.9 44.8 -9.1 12.2 62 204 A S + 0 0 93 -2,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.491 65.8 109.7 -97.4 -5.4 43.4 -10.6 8.9 63 205 A K S S- 0 0 41 72,-0.1 -2,-0.1 1,-0.1 563,-0.0 -0.369 77.3-102.1 -70.8 148.2 42.7 -7.1 7.5 64 206 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.253 40.7 -93.5 -68.4 158.0 44.8 -5.8 4.7 65 207 A L - 0 0 13 1,-0.1 5,-0.1 2,-0.1 4,-0.1 -0.554 49.0-114.1 -72.5 126.0 47.6 -3.3 5.2 66 208 A P >> - 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.191 17.2-118.2 -59.0 157.9 46.2 0.2 4.7 67 209 A E H >> S+ 0 0 139 1,-0.3 4,-1.2 558,-0.2 3,-1.1 0.899 114.2 59.8 -59.7 -44.8 47.5 2.2 1.7 68 210 A Y H 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.456 106.4 49.1 -66.9 0.0 48.7 4.9 4.1 69 211 A L H <4 S+ 0 0 9 -3,-1.4 3,-0.4 2,-0.1 -1,-0.3 0.574 100.4 60.4-112.0 -17.7 50.9 2.3 5.7 70 212 A W H X< S+ 0 0 96 -3,-1.1 3,-2.4 -4,-0.8 -2,-0.2 0.757 89.9 75.4 -77.0 -25.4 52.5 0.8 2.5 71 213 A K T 3< S+ 0 0 136 -4,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.822 94.0 49.7 -53.3 -35.3 53.8 4.3 1.8 72 214 A K T 3 S+ 0 0 68 -3,-0.4 -1,-0.3 1,-0.2 2,-0.3 0.440 110.6 55.5 -84.8 -0.7 56.5 3.7 4.5 73 215 A I < + 0 0 14 -3,-2.4 3,-0.4 1,-0.1 -1,-0.2 -0.696 57.3 143.0-132.2 78.5 57.2 0.4 2.7 74 216 A A S S+ 0 0 93 -2,-0.3 -3,-0.1 -3,-0.3 -1,-0.1 -0.255 72.4 53.3-110.2 42.7 58.1 1.2 -0.9 75 217 A N S S- 0 0 78 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.209 103.6-117.5-156.4 8.9 60.8 -1.5 -1.1 76 218 A N S S+ 0 0 94 -3,-0.4 2,-0.4 1,-0.2 20,-0.2 0.811 82.9 112.8 49.0 30.3 59.0 -4.6 0.1 77 219 A C - 0 0 36 17,-0.2 2,-0.4 18,-0.1 17,-0.2 -0.991 47.6-168.4-134.4 143.2 61.5 -4.7 2.9 78 220 A I E -B 93 0B 7 15,-3.4 15,-3.5 -2,-0.4 2,-0.6 -0.997 18.7-133.8-134.3 130.0 61.1 -4.1 6.7 79 221 A F E -B 92 0B 114 -2,-0.4 70,-0.8 13,-0.2 2,-0.5 -0.743 20.5-172.2 -90.6 115.9 63.9 -3.6 9.2 80 222 A I E -c 149 0C 6 11,-1.8 2,-0.9 -2,-0.6 11,-0.3 -0.898 15.2-145.1-107.4 127.0 63.7 -5.6 12.4 81 223 A V E -c 150 0C 14 68,-3.4 70,-3.1 -2,-0.5 2,-0.8 -0.793 15.1-164.1 -95.9 104.2 66.2 -4.9 15.3 82 224 A I E -c 151 0C 6 -2,-0.9 7,-1.9 68,-0.2 70,-0.2 -0.773 5.4-163.0 -94.1 111.1 67.0 -8.1 17.0 83 225 A H E +cD 152 88C 48 68,-3.5 70,-1.6 -2,-0.8 5,-0.2 -0.516 17.2 176.5 -88.4 155.9 68.7 -7.6 20.4 84 226 A R E > - D 0 87C 129 3,-0.9 3,-1.3 -2,-0.2 2,-0.9 -0.401 67.4 -67.6-159.3 69.5 70.6 -10.3 22.4 85 227 A S T 3 S- 0 0 102 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 -0.717 124.2 -6.1 81.5-101.9 72.0 -8.7 25.6 86 228 A T T 3 S+ 0 0 142 -2,-0.9 -1,-0.3 -3,-0.1 -3,-0.0 0.557 123.2 92.7 -97.8 -11.4 74.6 -6.2 24.3 87 229 A T E < +D 84 0C 82 -3,-1.3 -3,-0.9 0, 0.0 -2,-0.1 -0.143 45.4 168.6 -74.8 173.7 74.1 -7.5 20.7 88 230 A S E +D 83 0C 64 -5,-0.2 -5,-0.2 -4,-0.1 64,-0.0 -0.317 4.0 177.2 170.1 100.2 71.7 -6.0 18.2 89 231 A Q - 0 0 78 -7,-1.9 -5,-0.0 -2,-0.1 0, 0.0 0.024 25.7-133.1 -93.1-155.9 71.6 -6.8 14.4 90 232 A T - 0 0 78 -9,-0.2 -9,-0.2 2,-0.0 -7,-0.0 -0.106 20.0-168.4-161.1 51.5 69.2 -5.4 11.8 91 233 A I - 0 0 11 -11,-0.3 -11,-1.8 -12,-0.1 2,-0.4 -0.207 20.7-133.3 -49.9 119.8 67.8 -8.3 9.6 92 234 A K E -B 79 0B 137 -13,-0.2 2,-0.3 -15,-0.1 -13,-0.2 -0.630 31.9-168.0 -79.1 130.8 66.0 -6.8 6.6 93 235 A V E -B 78 0B 3 -15,-3.5 -15,-3.4 -2,-0.4 9,-0.1 -0.768 22.9-120.7-123.7 166.1 62.7 -8.6 6.1 94 236 A S > - 0 0 28 -2,-0.3 3,-3.0 -17,-0.2 39,-0.3 -0.913 27.5-124.1-106.5 127.1 59.8 -9.1 3.6 95 237 A P T 3 S+ 0 0 3 0, 0.0 39,-1.3 0, 0.0 40,-0.2 0.615 113.9 53.4 -42.7 -18.2 56.2 -8.1 4.7 96 238 A D T 3 S+ 0 0 116 -20,-0.2 39,-0.1 36,-0.1 37,-0.0 0.753 84.4 113.1 -91.5 -26.5 55.2 -11.6 3.8 97 239 A D < - 0 0 51 -3,-3.0 36,-2.5 35,-0.2 37,-0.2 -0.112 63.1-131.6 -52.7 139.4 57.9 -13.3 5.9 98 240 A T - 0 0 29 34,-0.2 3,-0.3 3,-0.2 5,-0.2 -0.535 17.5-119.1 -88.6 153.6 56.7 -15.4 8.9 99 241 A P S >> S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.834 119.6 48.8 -62.7 -33.1 58.2 -14.9 12.4 100 242 A G T 34 S+ 0 0 40 29,-0.3 30,-0.1 1,-0.2 -3,-0.0 0.750 112.8 51.0 -75.8 -23.0 59.3 -18.6 12.4 101 243 A A T 34 S+ 0 0 40 -3,-0.3 -1,-0.2 2,-0.2 -3,-0.2 -0.195 108.6 46.6-108.1 37.9 60.8 -17.9 8.8 102 244 A I T <4 S+ 0 0 7 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.166 103.2 64.1-144.2 -17.0 62.8 -14.8 9.6 103 245 A L S X S+ 0 0 20 -4,-0.6 4,-1.8 -5,-0.2 -2,-0.2 0.567 105.2 48.3 -82.4 -14.6 64.2 -16.6 12.7 104 246 A Q H >>S+ 0 0 120 2,-0.2 4,-1.6 3,-0.2 5,-0.6 0.831 104.4 55.8 -88.9 -44.4 65.6 -18.8 10.0 105 247 A S H 45S+ 0 0 46 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.208 119.5 37.5 -74.6 18.0 66.9 -15.8 8.0 106 248 A F H >5S+ 0 0 27 -3,-0.1 4,-1.2 3,-0.1 5,-0.5 0.549 111.1 48.5-127.5 -68.6 68.7 -15.1 11.3 107 249 A F H X5S+ 0 0 39 -4,-1.8 4,-0.8 1,-0.2 3,-0.2 0.868 127.7 31.7 -43.9 -46.7 70.0 -18.2 13.0 108 250 A T H <5S+ 0 0 120 -4,-1.6 -1,-0.2 1,-0.2 -3,-0.2 0.804 113.9 60.1 -82.9 -34.4 71.5 -19.4 9.7 109 251 A K H 4 -E 151 0C 3 5,-2.8 3,-1.8 -2,-0.3 5,-0.4 -0.452 47.0-103.5 -68.1 133.2 59.0 -7.0 21.7 121 275 A C T 3 S+ 0 0 14 29,-2.2 471,-0.4 1,-0.3 470,-0.2 -0.332 99.5 2.7 -60.8 130.7 61.6 -5.2 23.8 122 276 A G T 3 S+ 0 0 4 469,-0.2 439,-0.4 1,-0.2 2,-0.3 0.498 117.5 90.9 72.7 5.4 60.3 -4.1 27.2 123 277 A R S < S- 0 0 40 -3,-1.8 2,-0.6 2,-0.2 -1,-0.2 -0.857 80.1-124.7-130.4 165.1 56.9 -5.6 26.6 124 278 A D S S+ 0 0 33 435,-1.5 2,-0.4 -2,-0.3 436,-0.1 -0.530 73.2 121.4-102.1 57.1 55.0 -8.8 27.2 125 279 A E - 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>< S+ 0 0 41 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.953 111.5 47.5 -74.5 -43.0 4.7 -9.8 8.7 346 577 A H H 3< S+ 0 0 136 -4,-3.4 3,-0.3 1,-0.3 -1,-0.2 0.892 117.2 43.0 -63.2 -40.5 2.5 -10.8 5.9 347 578 A F T >X S+ 0 0 30 -4,-2.8 4,-3.0 -5,-0.3 3,-0.7 -0.200 78.1 145.8-100.9 44.8 5.5 -11.0 3.5 348 579 A R H <> + 0 0 43 -3,-1.4 4,-1.3 1,-0.3 -1,-0.2 0.808 68.3 47.0 -44.8 -44.8 7.3 -12.7 6.3 349 580 A Y H 34 S+ 0 0 88 -3,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.787 110.2 50.0 -80.0 -25.4 9.3 -14.9 3.8 350 581 A E H X4 S+ 0 0 22 -3,-0.7 3,-2.8 1,-0.2 4,-0.4 0.956 108.5 54.2 -73.4 -49.8 10.3 -12.2 1.4 351 582 A S H >< S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 6,-0.3 0.884 97.7 67.6 -46.1 -41.5 11.5 -10.1 4.4 352 583 A L T 3< S+ 0 0 12 -4,-1.3 -1,-0.3 1,-0.3 34,-0.2 0.540 88.8 64.1 -62.9 -4.5 13.6 -13.2 5.3 353 584 A K T < S+ 0 0 109 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.570 93.2 69.6 -93.5 -8.7 15.7 -12.7 2.2 354 585 A H X> - 0 0 57 -3,-2.4 3,-3.2 -4,-0.4 4,-0.9 -0.863 61.9-165.5-114.4 99.2 17.1 -9.4 3.4 355 586 A P G >4 S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.905 92.1 61.5 -50.5 -37.0 19.4 -9.6 6.4 356 587 A K G 34 S+ 0 0 121 1,-0.3 4,-0.4 2,-0.1 -5,-0.0 0.645 98.3 59.5 -65.4 -9.2 18.9 -5.8 6.9 357 588 A A G <> S+ 0 0 0 -3,-3.2 4,-3.1 -6,-0.3 3,-0.3 0.749 78.6 91.4 -88.1 -25.4 15.2 -6.5 7.4 358 589 A Y H S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.933 117.2 45.6 -61.0 -46.7 15.5 -6.1 13.1 360 591 A K H >> S+ 0 0 15 -4,-0.4 3,-0.9 -3,-0.3 4,-0.7 0.922 112.6 52.8 -62.4 -41.4 12.5 -4.5 11.6 361 592 A L H >< S+ 0 0 1 -4,-3.1 3,-0.9 1,-0.3 4,-0.4 0.898 107.7 48.7 -63.5 -42.3 10.9 -7.9 11.0 362 593 A F H 3< S+ 0 0 3 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.518 105.8 58.4 -79.3 -2.3 11.2 -9.0 14.6 363 594 A S H << S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.582 102.0 57.7 -93.6 -16.2 9.8 -5.7 15.8 364 595 A S S << S+ 0 0 10 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.569 84.2 103.1 -89.7 -10.5 6.8 -6.7 13.7 365 596 A V S S- 0 0 4 -4,-0.4 2,-0.9 1,-0.1 3,-0.1 -0.439 73.4-129.9 -73.8 147.2 6.1 -10.0 15.5 366 597 A K > - 0 0 142 1,-0.1 3,-1.1 3,-0.1 7,-0.4 -0.899 26.1-177.7 -98.4 98.5 3.3 -10.1 18.1 367 598 A W T 3 S+ 0 0 11 -2,-0.9 -1,-0.1 1,-0.2 -160,-0.1 0.535 76.4 69.5 -75.9 -9.1 5.2 -11.7 20.9 368 599 A G T 3 S+ 0 0 15 1,-0.1 2,-0.5 -132,-0.1 -1,-0.2 0.414 86.0 80.1 -89.7 1.8 2.0 -11.7 22.9 369 600 A Q <> - 0 0 88 -3,-1.1 4,-2.4 1,-0.1 5,-0.4 -0.922 65.8-154.9-117.2 110.1 0.5 -14.4 20.7 370 601 A Q H > S+ 0 0 61 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.878 96.0 45.4 -44.0 -53.1 1.5 -18.0 21.2 371 602 A E H > S+ 0 0 120 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.841 112.5 50.2 -63.7 -38.1 0.8 -19.1 17.6 372 603 A I H >> S+ 0 0 30 -3,-0.4 4,-2.9 2,-0.2 3,-0.6 0.955 111.6 45.9 -66.6 -54.6 2.5 -16.2 16.0 373 604 A V H 3X S+ 0 0 13 -4,-2.4 4,-2.3 -7,-0.4 5,-0.2 0.945 111.8 56.9 -50.1 -47.6 5.8 -16.5 18.1 374 605 A A H 3X S+ 0 0 38 -4,-2.1 4,-1.1 -5,-0.4 -1,-0.3 0.843 107.9 45.1 -53.8 -35.3 5.3 -20.2 17.1 375 606 A K H < S+ 0 0 2 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.979 107.2 46.7 -65.3 -55.7 10.6 -18.8 10.3 380 611 A L H 3< S+ 0 0 11 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.680 98.5 74.6 -58.1 -20.3 14.0 -18.8 11.9 381 612 A A H 3< S+ 0 0 80 -4,-1.0 2,-1.3 1,-0.3 -1,-0.3 0.890 93.7 51.0 -61.5 -42.0 14.2 -22.6 11.2 382 613 A R S << S+ 0 0 144 -3,-1.3 -1,-0.3 -4,-0.8 3,-0.2 -0.660 71.6 145.4 -96.7 75.2 14.9 -21.9 7.5 383 614 A R >> + 0 0 66 -2,-1.3 4,-2.0 -3,-0.3 3,-0.8 0.380 17.5 126.5 -95.8 1.8 17.7 -19.5 8.2 384 615 A E H 3> S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.774 73.5 48.6 -25.8 -65.2 19.8 -20.4 5.2 385 616 A V H 34 S+ 0 0 50 -3,-0.2 3,-0.4 1,-0.2 4,-0.4 0.892 115.0 44.3 -47.3 -53.2 20.1 -16.8 3.9 386 617 A W H X4 S+ 0 0 2 -3,-0.8 3,-1.9 1,-0.2 -1,-0.2 0.935 110.4 53.5 -57.5 -53.1 21.1 -15.4 7.3 387 618 A D H 3< S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 114.9 43.2 -58.1 -23.5 23.5 -18.1 8.1 388 619 A Q T 3< S+ 0 0 149 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.416 89.3 115.8-102.7 0.2 25.2 -17.4 4.8 389 620 A S S < S- 0 0 26 -3,-1.9 2,-0.4 -4,-0.4 3,-0.1 -0.368 77.7-100.6 -71.6 150.1 25.1 -13.6 5.0 390 621 A A - 0 0 92 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.560 55.4 -92.2 -70.0 124.7 28.4 -11.6 5.1 391 622 A L - 0 0 61 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 -0.078 43.4-172.1 -43.5 120.3 28.9 -10.6 8.8 392 623 A D > - 0 0 55 1,-0.2 4,-2.5 -3,-0.1 5,-0.1 -0.929 8.5-170.6-118.8 102.3 27.4 -7.2 9.6 393 624 A V H > S+ 0 0 21 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 0.955 88.2 55.2 -57.3 -49.3 28.4 -6.2 13.1 394 625 A G H > S+ 0 0 1 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.884 111.5 43.2 -49.8 -45.6 26.0 -3.3 13.0 395 626 A L H > S+ 0 0 4 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.887 112.6 53.6 -66.7 -41.8 23.1 -5.6 12.1 396 627 A T H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.942 107.6 49.9 -61.5 -47.8 24.2 -8.1 14.7 397 628 A M H >X S+ 0 0 0 -4,-3.2 3,-2.1 1,-0.2 4,-0.7 0.861 101.6 62.9 -58.0 -42.1 24.3 -5.5 17.5 398 629 A Q H >< S+ 0 0 18 -4,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.794 101.6 51.4 -54.0 -36.4 20.8 -4.3 16.7 399 630 A L T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.537 108.7 54.5 -79.2 -8.2 19.3 -7.7 17.5 400 631 A L T <4 S+ 0 0 0 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.524 90.0 93.3-101.9 -6.3 21.2 -7.5 20.8 401 632 A D S X< S- 0 0 8 -4,-0.7 3,-1.1 -3,-0.5 -3,-0.0 0.101 98.6 -74.7 -73.8-171.0 19.8 -4.1 22.1 402 633 A C T 3 S+ 0 0 9 1,-0.2 -1,-0.1 -121,-0.1 -3,-0.1 0.606 118.3 72.6 -63.7 -15.8 16.8 -3.5 24.4 403 634 A N T 3 S+ 0 0 72 -5,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.707 88.5 59.1 -79.7 -15.2 14.3 -4.2 21.6 404 635 A F < + 0 0 10 -3,-1.1 -201,-0.1 1,-0.1 -1,-0.1 -0.953 44.5 160.3-119.5 120.6 14.6 -8.0 21.4 405 636 A S + 0 0 19 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.503 42.7 112.4-112.3 -12.3 14.0 -10.1 24.4 406 637 A D > - 0 0 3 1,-0.1 4,-2.1 -204,-0.1 3,-0.4 -0.487 61.8-144.7 -70.1 124.2 13.4 -13.3 22.5 407 638 A E H > S+ 0 0 96 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.852 98.3 48.9 -51.7 -43.6 16.2 -15.9 23.2 408 639 A N H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.840 110.5 50.4 -69.2 -34.4 16.1 -17.4 19.6 409 640 A V H > S+ 0 0 0 -3,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.938 114.1 44.6 -67.3 -47.0 16.3 -13.9 18.0 410 641 A R H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.842 106.9 60.5 -64.4 -36.8 19.3 -13.0 20.1 411 642 A A H X S+ 0 0 37 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.875 99.9 54.6 -63.4 -37.5 21.0 -16.3 19.6 412 643 A I H X S+ 0 0 2 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.871 106.5 52.1 -65.8 -31.8 21.2 -15.8 15.8 413 644 A A H X S+ 0 0 0 -4,-0.9 4,-1.4 -3,-0.3 3,-0.4 0.955 112.2 45.8 -65.5 -47.6 23.0 -12.5 16.4 414 645 A V H X S+ 0 0 5 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.885 104.0 62.9 -62.4 -37.1 25.5 -14.2 18.6 415 646 A Q H < S+ 0 0 56 -4,-2.8 3,-0.4 1,-0.3 4,-0.4 0.918 105.0 48.3 -53.5 -39.9 25.7 -16.9 16.0 416 647 A K H >< S+ 0 0 16 -4,-1.5 3,-1.2 -3,-0.4 -1,-0.3 0.847 102.4 60.0 -71.5 -31.7 27.1 -14.3 13.8 417 648 A L H >< S+ 0 0 2 -4,-1.4 3,-2.4 1,-0.2 -1,-0.2 0.826 86.1 79.8 -66.2 -27.7 29.5 -12.9 16.3 418 649 A E T 3< S+ 0 0 72 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.811 86.8 59.1 -48.6 -31.9 31.2 -16.4 16.4 419 650 A S T < S+ 0 0 83 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 0.433 77.2 113.4 -87.1 8.9 33.0 -15.6 13.2 420 651 A L < - 0 0 6 -3,-2.4 -3,-0.0 1,-0.1 2,-0.0 -0.574 66.3-127.6 -79.2 134.1 34.9 -12.5 14.4 421 652 A E > - 0 0 47 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.338 32.4-101.4 -74.2 165.1 38.5 -12.8 14.6 422 653 A D H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 120.4 62.0 -54.8 -45.3 40.0 -11.8 17.9 423 654 A D H > S+ 0 0 8 -363,-0.5 4,-1.4 1,-0.3 -1,-0.2 0.929 106.9 46.4 -47.6 -48.0 41.1 -8.4 16.7 424 655 A D H > S+ 0 0 38 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.867 104.7 58.0 -63.1 -38.7 37.5 -7.6 16.0 425 656 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.912 103.3 55.5 -61.3 -36.8 36.2 -8.8 19.3 426 657 A L H X S+ 0 0 23 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.932 102.6 56.4 -58.9 -44.1 38.5 -6.4 21.1 427 658 A H H < S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 122.9 24.5 -52.9 -39.3 37.0 -3.5 19.1 428 659 A Y H X S+ 0 0 16 -4,-1.3 4,-2.9 -3,-0.4 3,-0.5 0.451 92.4 106.5-106.1 -5.9 33.4 -4.2 20.3 429 660 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.816 79.1 50.3 -43.9 -48.2 34.3 -6.0 23.5 430 661 A L H X S+ 0 0 2 -4,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.934 115.8 42.0 -60.0 -45.4 33.3 -3.1 25.8 431 662 A Q H > S+ 0 0 10 -3,-0.5 4,-3.9 2,-0.2 -2,-0.2 0.915 111.2 53.9 -70.4 -44.6 29.8 -2.7 24.1 432 663 A L H X S+ 0 0 1 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.956 110.3 49.9 -54.8 -44.5 29.1 -6.4 23.8 433 664 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.3 4,-0.3 0.949 111.1 47.0 -60.5 -46.2 29.7 -6.6 27.5 434 665 A Q H >< S+ 0 0 5 -4,-2.2 3,-3.1 1,-0.3 4,-0.4 0.967 99.9 69.9 -59.8 -42.8 27.4 -3.7 28.1 435 666 A A H >< S+ 0 0 0 -4,-3.9 3,-2.5 1,-0.3 -1,-0.3 0.725 79.7 77.8 -46.0 -24.7 24.9 -5.4 25.9 436 667 A V G X< S+ 0 0 0 -3,-1.6 3,-1.7 -4,-0.7 -1,-0.3 0.732 78.9 70.0 -59.4 -25.0 24.5 -8.1 28.6 437 668 A K G < S+ 0 0 6 -3,-3.1 -1,-0.3 -4,-0.3 -2,-0.2 0.732 95.0 57.6 -65.5 -17.5 22.2 -5.7 30.5 438 669 A F G < S+ 0 0 9 -3,-2.5 -1,-0.3 -4,-0.4 -2,-0.2 0.526 82.9 102.1 -90.6 -4.8 19.8 -6.3 27.7 439 670 A E < - 0 0 13 -3,-1.7 -34,-0.1 -4,-0.2 -37,-0.0 -0.667 65.7-147.0 -82.3 126.4 19.7 -10.0 28.2 440 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.825 81.5 44.2 -60.0 -31.8 16.5 -11.2 30.1 441 672 A Y S S- 0 0 17 1,-0.2 -2,-0.0 2,-0.1 -181,-0.0 -0.844 78.1-128.3-117.2 155.6 18.3 -14.0 31.8 442 673 A H S S+ 0 0 14 -2,-0.3 2,-0.4 5,-0.0 5,-0.2 0.987 101.6 57.6 -59.3 -60.9 21.7 -14.3 33.6 443 674 A D S S+ 0 0 33 -413,-0.1 2,-0.3 -3,-0.1 -2,-0.1 -0.580 79.4 151.8 -70.8 123.7 22.8 -17.3 31.6 444 675 A S > - 0 0 12 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.984 59.8-108.7-154.0 160.3 22.6 -16.3 27.9 445 676 A A H > S+ 0 0 43 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.870 121.4 50.4 -56.6 -40.4 24.2 -17.0 24.5 446 677 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.968 108.0 50.5 -61.7 -54.8 25.9 -13.7 24.6 447 678 A A H > S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.844 112.1 49.2 -55.1 -36.0 27.3 -14.3 28.1 448 679 A R H X S+ 0 0 79 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.885 107.0 55.1 -74.2 -30.8 28.6 -17.5 27.0 449 680 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.4 5,-0.3 0.973 109.0 46.9 -63.9 -50.9 30.2 -15.9 23.9 450 681 A L H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.974 110.1 52.0 -50.5 -62.5 32.1 -13.5 26.0 451 682 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.894 114.2 46.2 -43.0 -49.4 33.3 -16.2 28.5 452 683 A K H X S+ 0 0 47 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.995 112.4 45.8 -57.7 -70.4 34.6 -18.2 25.6 453 684 A R H X S+ 0 0 9 -4,-2.8 4,-0.8 1,-0.2 8,-0.2 0.799 113.1 55.0 -45.8 -31.7 36.3 -15.4 23.6 454 685 A G H >< S+ 0 0 0 -4,-3.2 3,-1.4 -5,-0.3 7,-0.7 0.993 109.6 42.5 -64.5 -61.5 37.8 -14.3 26.9 455 686 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.710 109.6 59.2 -55.9 -27.5 39.4 -17.7 27.8 456 687 A R H 3< S+ 0 0 90 -4,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.699 114.3 31.7 -78.9 -22.6 40.6 -18.3 24.3 457 688 A N S+ 0 0 32 -2,-0.4 4,-3.1 -404,-0.3 5,-0.2 0.952 97.6 53.9 -66.4 -51.1 44.5 -13.5 27.0 459 690 A R H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.947 112.4 45.5 -50.2 -57.5 44.2 -9.9 25.8 460 691 A I H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.859 112.8 50.3 -54.9 -39.6 40.4 -10.3 25.4 461 692 A G H X S+ 0 0 0 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-24.2 23.0 11.1 15.7 809 1052 A R H <4>S+ 0 0 44 -3,-0.7 5,-2.4 -4,-0.3 -1,-0.2 0.958 111.2 38.9 -68.9 -46.1 20.4 10.6 13.0 810 1053 A D H ><5S+ 0 0 98 -4,-1.4 3,-1.3 -3,-0.4 -2,-0.2 0.868 114.8 54.8 -68.7 -38.3 20.5 14.4 12.2 811 1054 A A H 3<5S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.914 109.3 45.4 -61.7 -43.4 24.3 14.5 12.7 812 1055 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.263 110.2-131.0 -84.3 13.5 24.8 11.7 10.2 813 1056 A T T < 5 - 0 0 15 -3,-1.3 3,-0.4 1,-0.1 -3,-0.2 0.877 29.2-153.9 35.0 60.4 22.4 13.6 8.1 814 1057 A V S - 0 0 75 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.364 34.4 -95.9 -84.8 170.2 22.5 12.1 -0.6 818 1061 A E H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 123.4 54.2 -55.0 -36.5 26.3 12.3 -0.6 819 1062 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 110.4 43.9 -64.9 -49.1 26.2 15.8 -2.2 820 1063 A D H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.773 112.6 55.8 -65.8 -26.1 23.9 17.3 0.3 821 1064 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.982 108.4 44.2 -67.1 -60.1 26.0 15.6 3.1 822 1065 A K H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.866 114.9 51.6 -48.9 -45.4 29.3 17.2 2.0 823 1066 A K H X S+ 0 0 119 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.955 108.7 52.0 -55.8 -54.6 27.4 20.5 1.6 824 1067 A Y H X S+ 0 0 71 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.848 110.3 45.2 -53.0 -46.3 26.0 20.1 5.1 825 1068 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 108.5 55.6 -69.0 -41.3 29.4 19.5 6.8 826 1069 A L H X S+ 0 0 38 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.804 106.2 52.8 -60.8 -30.7 31.2 22.3 5.0 827 1070 A D H X S+ 0 0 68 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.872 104.8 54.9 -71.1 -37.6 28.5 24.6 6.3 828 1071 A Q H X S+ 0 0 30 -4,-1.3 4,-1.0 1,-0.3 -2,-0.2 0.925 104.9 54.5 -59.6 -43.1 29.2 23.3 9.8 829 1072 A I H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.840 107.2 50.7 -58.5 -36.7 32.8 24.3 9.3 830 1073 A E H X S+ 0 0 45 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.887 100.3 61.1 -71.6 -38.3 31.7 27.8 8.4 831 1074 A V H X S+ 0 0 53 -4,-2.1 4,-1.0 1,-0.3 -1,-0.2 0.786 104.9 51.6 -58.6 -25.6 29.5 28.2 11.5 832 1075 A C H X S+ 0 0 5 -4,-1.0 4,-0.9 -3,-0.3 -1,-0.3 0.866 108.3 50.2 -77.2 -37.4 32.8 27.8 13.4 833 1076 A R H < S+ 0 0 30 -4,-1.1 3,-0.4 -3,-0.2 -2,-0.2 0.873 109.3 50.6 -67.5 -39.2 34.5 30.4 11.4 834 1077 A D H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.9 51.4 -69.9 -29.7 31.7 32.9 12.0 835 1078 A K H >< S+ 0 0 38 -4,-1.0 3,-2.9 -5,-0.2 4,-0.2 0.655 77.2 170.1 -82.0 -17.5 31.8 32.3 15.8 836 1079 A G T 3< S- 0 0 23 -4,-0.9 -1,-0.2 -3,-0.4 4,-0.2 -0.182 74.5 -20.3 46.9-109.5 35.5 32.9 16.1 837 1080 A W T 3> S+ 0 0 45 -92,-0.1 4,-2.5 -2,-0.1 5,-0.3 0.302 108.1 107.0-111.2 5.6 36.2 33.0 19.9 838 1081 A T H <> S+ 0 0 56 -3,-2.9 4,-2.3 1,-0.2 5,-0.1 0.946 85.0 38.1 -45.1 -69.3 32.6 33.8 21.0 839 1082 A V H > S+ 0 0 9 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 114.4 55.1 -54.8 -39.9 31.8 30.3 22.4 840 1083 A Q H 4 S+ 0 0 5 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.965 110.4 45.5 -60.2 -52.8 35.3 29.8 23.9 841 1084 A F H < S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.917 111.2 54.9 -54.6 -46.6 35.1 33.0 25.8 842 1085 A N H < S+ 0 0 90 -4,-2.3 2,-1.5 -5,-0.3 -1,-0.2 0.818 75.2 109.4 -59.5 -34.3 31.6 32.1 26.9 843 1086 A W < 0 0 109 -4,-1.9 -1,-0.1 -3,-0.4 -125,-0.1 -0.225 360.0 360.0 -54.1 85.5 32.6 28.8 28.4 844 1087 A F 0 0 182 -2,-1.5 -1,-0.3 -127,-0.0 -2,-0.1 0.111 360.0 360.0-157.6 360.0 32.1 29.7 32.1