==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-11 3ZVV . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.J.HUGHES,D.S.MILAN,I.C.KILTY,R.A.LEWTHWAITE,J.P.MATHIAS, . 829 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 13.4 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 35.8 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 2 3 4 0 1 3 1 3 4 1 2 1 0 1 2 0 1 0 0 0 0 1 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 . 2 5 3 2 3 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 144 A S > 0 0 118 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.6 37.1 -28.7 50.7 2 145 A E H > + 0 0 119 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.789 360.0 47.7 -90.7 -32.7 39.1 -26.0 52.7 3 146 A E H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.774 109.0 56.8 -76.5 -22.7 41.4 -24.9 49.9 4 147 A S H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.875 108.0 47.2 -67.6 -39.8 38.3 -24.8 47.8 5 148 A Q H X S+ 0 0 127 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.924 112.3 49.5 -66.4 -42.5 37.0 -22.3 50.4 6 149 A A H X S+ 0 0 13 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.851 109.7 51.6 -62.4 -38.2 40.3 -20.5 50.2 7 150 A F H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.897 107.6 51.9 -66.9 -40.0 40.1 -20.4 46.4 8 151 A Q H X S+ 0 0 30 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.888 107.3 53.4 -63.2 -38.7 36.6 -18.9 46.6 9 152 A R H X S+ 0 0 161 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.873 108.4 50.5 -60.3 -41.0 37.9 -16.2 49.0 10 153 A Q H X S+ 0 0 80 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.919 111.5 47.1 -63.7 -46.0 40.6 -15.4 46.3 11 154 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.917 108.5 55.8 -62.7 -43.0 37.9 -15.1 43.6 12 155 A T H X>S+ 0 0 41 -4,-2.6 4,-2.7 1,-0.2 5,-0.9 0.897 108.0 48.4 -55.6 -44.1 35.7 -12.9 45.9 13 156 A A H <5S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.5 46.9 -66.0 -38.7 38.6 -10.4 46.3 14 157 A L H <5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 116.5 43.6 -68.7 -38.5 39.3 -10.3 42.6 15 158 A I H <5S- 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.876 95.5-138.5 -75.4 -39.2 35.6 -9.9 41.7 16 159 A G T <5S+ 0 0 46 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.674 79.1 73.6 81.9 21.0 34.8 -7.3 44.4 17 160 A Y S - 0 0 53 -2,-0.3 3,-1.3 1,-0.1 -9,-0.0 -0.781 17.3-171.4 -93.4 108.7 30.6 -12.4 46.7 19 162 A V T 3 S+ 0 0 16 -2,-0.8 -1,-0.1 1,-0.3 15,-0.1 0.565 85.4 61.2 -72.9 -10.0 28.7 -14.7 44.3 20 163 A T T 3 S+ 0 0 60 -12,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.465 77.1 102.7 -95.7 -4.4 27.9 -17.1 47.2 21 164 A D < - 0 0 74 -3,-1.3 3,-0.3 1,-0.1 -3,-0.0 -0.766 46.9-179.5 -84.4 112.7 25.9 -14.4 49.1 22 165 A V > + 0 0 101 -2,-0.7 3,-0.5 1,-0.2 -1,-0.1 -0.121 47.3 108.8-107.0 32.0 22.2 -15.2 48.6 23 166 A S T 3 S+ 0 0 90 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.833 79.3 47.7 -76.7 -33.7 20.7 -12.4 50.7 24 167 A N T 3 S+ 0 0 8 -3,-0.3 264,-0.4 264,-0.0 2,-0.3 -0.406 94.0 96.9-107.3 51.1 19.4 -10.5 47.6 25 168 A V < - 0 0 49 -3,-0.5 3,-0.1 -2,-0.3 262,-0.0 -0.997 43.4-174.1-142.5 143.6 17.7 -13.3 45.6 26 169 A H S S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.284 80.9 20.1-117.4 4.4 14.1 -14.7 45.2 27 170 A D S S- 0 0 36 231,-0.0 3,-0.4 0, 0.0 4,-0.2 -0.952 83.1-101.4-158.4 175.4 15.1 -17.7 43.0 28 171 A D S > S+ 0 0 58 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.136 76.5 118.5 -94.1 23.6 18.1 -19.9 42.1 29 172 A E H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 77.3 45.8 -55.9 -44.1 18.8 -18.2 38.7 30 173 A L H > S+ 0 0 25 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.902 115.9 45.4 -66.1 -42.6 22.4 -17.0 39.7 31 174 A E H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 113.1 51.0 -67.6 -37.5 23.3 -20.3 41.2 32 175 A F H X S+ 0 0 75 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.869 110.8 50.4 -64.2 -40.0 21.8 -22.1 38.1 33 176 A T H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.918 106.5 52.9 -66.2 -47.3 23.9 -19.8 35.9 34 177 A R H < S+ 0 0 37 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.935 115.1 42.5 -51.6 -48.5 27.2 -20.5 37.9 35 178 A R H >X S+ 0 0 165 -4,-2.0 3,-0.9 1,-0.2 4,-0.5 0.882 113.5 52.9 -65.9 -40.2 26.5 -24.3 37.3 36 179 A G H 3< S+ 0 0 21 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.796 103.8 55.6 -66.3 -30.8 25.5 -23.7 33.7 37 180 A L T 3X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.566 87.7 80.3 -81.6 -6.8 28.6 -21.8 32.8 38 181 A V H <> S+ 0 0 35 -3,-0.9 4,-2.9 -4,-0.4 5,-0.2 0.945 91.9 49.5 -62.1 -50.4 30.9 -24.7 34.0 39 182 A T H X S+ 0 0 97 -4,-0.5 4,-2.9 -3,-0.3 5,-0.2 0.932 112.3 44.5 -56.2 -57.6 30.4 -26.7 30.6 40 183 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.856 116.4 49.0 -59.8 -35.3 31.2 -23.7 28.2 41 184 A R H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.963 113.5 44.5 -64.5 -53.0 34.2 -22.8 30.4 42 185 A M H X S+ 0 0 87 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.883 112.2 53.5 -60.4 -39.9 35.5 -26.4 30.5 43 186 A A H X S+ 0 0 60 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.899 112.1 44.1 -61.9 -41.8 34.9 -26.8 26.8 44 187 A E H >X S+ 0 0 14 -4,-1.8 4,-0.8 -5,-0.2 3,-0.5 0.929 113.1 50.6 -70.1 -43.4 36.9 -23.7 25.9 45 188 A V H >< S+ 0 0 37 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.933 110.9 49.7 -57.5 -46.9 39.8 -24.6 28.4 46 189 A A H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.713 110.5 53.3 -64.8 -21.7 40.0 -28.1 26.9 47 190 A S H << S+ 0 0 91 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.583 84.4 107.5 -91.0 -17.0 40.1 -26.5 23.4 48 191 A R S << S- 0 0 35 -3,-1.0 3,-0.0 -4,-0.8 406,-0.0 -0.486 70.2-122.8 -81.8 143.3 43.0 -24.1 23.7 49 192 A D > - 0 0 85 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.654 22.0-148.3 -73.0 111.4 46.5 -24.4 22.3 50 193 A P H > S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.883 94.2 44.2 -53.2 -44.6 48.8 -24.2 25.4 51 194 A K H > S+ 0 0 145 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.899 116.7 44.9 -68.2 -45.0 51.7 -22.4 23.5 52 195 A L H > S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.844 112.8 52.2 -69.7 -33.4 49.5 -19.9 21.7 53 196 A Y H < S+ 0 0 7 -4,-2.9 403,-0.3 1,-0.2 -2,-0.2 0.941 110.8 47.7 -65.4 -45.6 47.5 -19.2 24.8 54 197 A A H < S+ 0 0 3 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.801 119.9 37.9 -63.7 -33.2 50.7 -18.5 26.8 55 198 A M H < S- 0 0 19 -4,-1.6 69,-0.6 -5,-0.1 -1,-0.2 0.591 83.8-163.2 -99.0 -13.0 52.1 -16.2 24.0 56 199 A H < - 0 0 24 -4,-1.7 68,-0.2 -3,-0.2 -3,-0.1 0.792 13.4-151.1 34.9 56.0 48.8 -14.5 23.0 57 200 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.292 6.4-136.3 -56.6 140.9 50.1 -13.1 19.6 58 201 A W + 0 0 67 66,-0.5 77,-2.7 399,-0.0 78,-0.4 -0.880 42.3 157.1-105.7 103.8 48.3 -9.9 18.7 59 202 A V B -A 134 0A 38 -2,-0.8 362,-0.4 75,-0.2 2,-0.3 -0.799 30.5-154.8-127.8 162.6 47.4 -10.2 15.0 60 203 A T - 0 0 2 73,-2.1 -2,-0.0 -2,-0.3 360,-0.0 -0.980 15.0-155.2-137.5 149.7 45.0 -8.9 12.3 61 204 A S + 0 0 91 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.385 65.2 112.7 -98.6 -0.7 43.8 -10.4 9.0 62 205 A K S S- 0 0 49 1,-0.1 -2,-0.1 71,-0.1 552,-0.0 -0.342 78.9 -95.9 -71.5 151.7 43.1 -6.9 7.6 63 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.299 43.6 -97.1 -64.2 155.2 45.2 -5.6 4.7 64 207 A L - 0 0 6 1,-0.1 5,-0.1 -3,-0.1 69,-0.1 -0.649 53.3-109.6 -70.3 120.7 48.2 -3.4 5.5 65 208 A P >> - 0 0 7 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.162 18.0-116.0 -53.5 152.8 46.8 0.2 5.1 66 209 A E H 3> S+ 0 0 142 1,-0.3 4,-1.7 547,-0.2 -2,-0.0 0.892 117.5 55.7 -55.6 -43.1 48.0 2.3 2.1 67 210 A Y H 34 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.682 109.6 47.0 -64.9 -19.2 49.5 4.8 4.5 68 211 A L H X4 S+ 0 0 8 -3,-1.2 3,-1.2 2,-0.2 -2,-0.2 0.853 105.6 56.1 -89.4 -38.4 51.6 2.0 6.1 69 212 A W H >< S+ 0 0 99 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.845 101.6 59.3 -57.9 -36.8 52.8 0.4 2.8 70 213 A K T 3< S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.701 96.7 62.0 -66.4 -20.2 54.3 3.9 1.9 71 214 A K T < S+ 0 0 90 -3,-1.2 2,-0.6 -4,-0.2 -1,-0.3 0.482 87.9 87.8 -82.5 -6.0 56.4 3.6 5.1 72 215 A I < - 0 0 16 -3,-1.6 3,-0.2 -4,-0.2 5,-0.1 -0.880 65.6-158.8-101.0 120.8 58.1 0.5 3.7 73 216 A A S S- 0 0 74 3,-0.6 2,-0.3 -2,-0.6 -1,-0.2 0.981 74.0 -8.4 -60.9 -92.3 61.2 1.2 1.5 74 217 A N S S- 0 0 149 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 -0.469 116.8 -69.5-113.0 57.1 62.1 -1.7 -0.9 75 218 A N S S+ 0 0 86 -2,-0.3 2,-0.4 -3,-0.2 -2,-0.0 0.857 104.9 134.3 56.2 36.7 59.7 -4.3 0.4 76 219 A C - 0 0 19 17,-0.2 -3,-0.6 18,-0.1 2,-0.5 -0.974 40.2-174.0-124.4 129.9 62.0 -4.3 3.4 77 220 A I E -B 92 0B 6 15,-3.0 15,-1.6 -2,-0.4 2,-0.4 -0.987 20.4-141.3-118.9 125.4 61.2 -4.2 7.1 78 221 A F E -B 91 0B 104 -2,-0.5 69,-0.7 13,-0.2 2,-0.4 -0.753 16.5-172.4 -90.6 133.4 64.0 -3.9 9.6 79 222 A I E -Bc 90 147B 2 11,-2.2 11,-1.9 -2,-0.4 2,-0.8 -0.988 14.8-146.8-127.6 119.6 64.0 -5.9 12.9 80 223 A V E -Bc 89 148B 12 67,-2.9 69,-3.2 -2,-0.4 2,-0.6 -0.782 16.3-159.4 -89.6 111.2 66.6 -5.3 15.6 81 224 A I E -Bc 88 149B 2 7,-3.0 7,-1.7 -2,-0.8 2,-0.2 -0.830 5.5-161.5 -97.9 119.7 67.2 -8.6 17.4 82 225 A H E +Bc 87 150B 47 67,-3.4 69,-2.0 -2,-0.6 5,-0.2 -0.646 22.4 165.8 -96.5 153.4 68.8 -8.4 20.9 83 226 A R S S- 0 0 133 3,-1.5 4,-0.1 -2,-0.2 -1,-0.1 0.539 71.2 -44.2-133.7 -37.5 70.6 -11.2 22.9 84 227 A S S S- 0 0 90 2,-1.1 -2,-0.0 494,-0.0 0, 0.0 -0.209 115.4 -16.2-157.1-102.8 72.4 -9.5 25.8 85 228 A T S S+ 0 0 144 -2,-0.1 2,-0.2 -3,-0.1 -3,-0.0 0.533 126.4 62.9 -94.0 -14.9 74.5 -6.2 25.6 86 229 A T - 0 0 93 2,-0.0 -3,-1.5 0, 0.0 -2,-1.1 -0.634 64.6-165.2-107.8 167.7 74.7 -6.5 21.8 87 230 A S E -B 82 0B 62 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.906 9.2-145.0-144.5 169.2 72.0 -6.4 19.0 88 231 A Q E -B 81 0B 82 -7,-1.7 -7,-3.0 -2,-0.3 2,-0.3 -0.932 10.6-142.2-147.3 119.2 71.7 -7.3 15.3 89 232 A T E -B 80 0B 68 -2,-0.3 2,-0.4 -9,-0.3 -9,-0.2 -0.639 22.0-168.8 -80.2 134.0 69.6 -5.5 12.6 90 233 A I E -B 79 0B 3 -11,-1.9 -11,-2.2 -2,-0.3 2,-0.3 -0.995 18.4-133.7-131.4 130.7 68.0 -7.8 10.0 91 234 A K E +B 78 0B 147 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.619 34.3 179.1 -77.9 135.6 66.2 -7.0 6.7 92 235 A V E -B 77 0B 7 -15,-1.6 -15,-3.0 -2,-0.3 9,-0.0 -0.969 29.5-116.0-141.6 154.2 62.9 -8.8 6.3 93 236 A S > - 0 0 27 -2,-0.3 3,-2.0 -17,-0.2 38,-0.3 -0.702 26.7-125.5 -86.2 142.8 60.1 -9.2 3.8 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-1.8 0, 0.0 39,-0.2 0.770 113.6 52.7 -55.1 -28.3 56.5 -8.0 4.9 95 238 A D T 3 S+ 0 0 104 35,-0.2 2,-0.2 36,-0.1 -2,-0.0 0.482 85.1 116.9 -85.4 -5.9 55.2 -11.5 4.0 96 239 A D < - 0 0 54 -3,-2.0 35,-2.9 34,-0.1 36,-0.2 -0.453 61.1-136.6 -68.7 131.5 57.9 -13.2 6.2 97 240 A T > - 0 0 31 33,-0.3 4,-1.7 -2,-0.2 3,-0.2 -0.510 23.8-114.4 -77.0 153.7 56.7 -15.3 9.1 98 241 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.777 119.2 59.9 -58.7 -26.7 58.5 -14.9 12.5 99 242 A G H > S+ 0 0 35 28,-0.3 4,-1.7 2,-0.2 5,-0.1 0.935 107.5 42.7 -62.8 -48.8 59.5 -18.6 11.9 100 243 A A H > S+ 0 0 45 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.747 112.3 54.6 -68.9 -28.3 61.3 -17.7 8.7 101 244 A I H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.886 106.4 52.1 -72.0 -39.4 62.8 -14.6 10.3 102 245 A L H X S+ 0 0 27 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.896 110.9 46.1 -62.8 -43.0 64.3 -16.8 13.1 103 246 A Q H X S+ 0 0 131 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.767 110.1 54.9 -70.4 -27.3 65.9 -19.1 10.5 104 247 A S H X S+ 0 0 51 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.756 107.5 51.8 -73.2 -27.9 67.2 -16.0 8.6 105 248 A F H X S+ 0 0 8 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.906 106.3 49.8 -74.7 -47.7 68.8 -14.8 11.9 106 249 A F H < S+ 0 0 83 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.788 112.2 51.0 -61.9 -32.0 70.7 -18.1 12.7 107 250 A T H < S+ 0 0 116 -4,-1.0 3,-0.3 1,-0.1 -2,-0.2 0.956 108.5 48.6 -69.5 -55.5 72.1 -18.0 9.1 108 251 A K H < S+ 0 0 143 -4,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.878 121.1 40.4 -55.9 -35.1 73.3 -14.4 9.2 109 252 A M S < S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.1 -4,-0.0 -0.847 71.6 125.6-120.8 96.4 75.0 -15.2 12.6 110 253 A A 0 0 84 -2,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.809 360.0 360.0-108.3 -64.0 76.7 -18.7 12.7 111 254 A K 0 0 259 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.946 360.0 360.0-146.9 360.0 80.5 -18.5 13.7 112 ! 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 0.0 113 269 A D 0 0 176 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.9 63.5 -23.6 20.9 114 270 A F - 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0 0 48 -3,-2.0 3,-2.0 1,-0.1 4,-0.4 -0.886 64.4-167.8-124.0 97.1 17.1 -9.2 3.2 353 586 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.861 89.9 62.4 -49.8 -36.3 19.4 -9.5 6.2 354 587 A K G 3 S+ 0 0 120 1,-0.3 4,-0.4 2,-0.1 -5,-0.0 0.736 96.5 60.4 -64.7 -20.2 19.1 -5.7 6.7 355 588 A A G <> S+ 0 0 0 -3,-2.0 4,-3.2 -6,-0.3 -1,-0.3 0.604 78.3 94.8 -79.1 -15.3 15.4 -6.2 7.3 356 589 A Y H <> S+ 0 0 0 -3,-1.8 4,-2.9 -4,-0.4 5,-0.2 0.888 83.1 45.3 -52.1 -50.4 15.9 -8.4 10.3 357 590 A P H > S+ 0 0 12 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.904 118.5 44.3 -60.3 -40.2 15.6 -5.8 13.1 358 591 A K H 4 S+ 0 0 18 -4,-0.4 3,-0.3 2,-0.2 -2,-0.2 0.898 114.3 49.7 -70.5 -39.2 12.5 -4.3 11.5 359 592 A L H >< S+ 0 0 0 -4,-3.2 3,-1.6 1,-0.2 -1,-0.2 0.922 110.1 48.6 -65.4 -47.7 11.0 -7.7 10.8 360 593 A F H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.674 107.8 56.5 -70.6 -11.2 11.5 -8.9 14.4 361 594 A S T 3< S+ 0 0 43 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.406 99.5 61.7 -89.5 -7.3 10.0 -5.6 15.6 362 595 A S S < S+ 0 0 9 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.2 0.367 82.3 108.4 -96.3 -1.4 6.9 -6.5 13.5 363 596 A V S S- 0 0 3 -3,-0.4 2,-1.4 -4,-0.1 3,-0.1 -0.675 71.6-136.0 -83.5 132.5 6.3 -9.7 15.6 364 597 A K > - 0 0 123 -2,-0.4 3,-1.5 1,-0.2 7,-0.2 -0.737 25.8-176.0 -83.2 86.9 3.3 -9.7 18.0 365 598 A W T 3 S+ 0 0 10 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.686 75.2 65.6 -63.1 -19.7 5.4 -11.3 20.8 366 599 A G T 3 S+ 0 0 16 -3,-0.1 2,-0.4 -132,-0.1 -1,-0.3 0.141 87.4 80.4 -89.7 15.7 2.2 -11.5 23.0 367 600 A Q <> - 0 0 92 -3,-1.5 4,-2.3 1,-0.1 3,-0.3 -0.972 65.9-156.5-124.5 113.1 0.6 -14.1 20.6 368 601 A Q H > S+ 0 0 61 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.867 94.6 51.1 -53.7 -46.9 1.7 -17.7 21.0 369 602 A E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 111.4 48.8 -61.0 -38.2 0.8 -18.7 17.4 370 603 A I H > S+ 0 0 20 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.900 110.4 49.3 -69.3 -42.1 2.7 -15.7 16.0 371 604 A V H X S+ 0 0 20 -4,-2.3 4,-2.3 -7,-0.2 -2,-0.2 0.925 110.1 52.5 -61.8 -43.1 5.8 -16.6 18.0 372 605 A A H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 108.5 50.0 -55.8 -48.7 5.5 -20.1 16.8 373 606 A K H X S+ 0 0 67 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.839 109.2 52.9 -60.1 -35.7 5.4 -18.7 13.2 374 607 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.900 107.6 49.7 -66.9 -42.8 8.5 -16.7 13.9 375 608 A Y H X S+ 0 0 82 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.883 111.1 50.3 -64.8 -35.0 10.4 -19.8 15.2 376 609 A Q H >X S+ 0 0 114 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.909 108.4 53.5 -63.5 -46.4 9.3 -21.6 11.9 377 610 A L H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.882 107.6 50.0 -56.2 -46.2 10.6 -18.5 9.9 378 611 A L H 3< S+ 0 0 4 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.541 94.2 71.7 -75.5 -9.1 14.1 -18.7 11.6 379 612 A A H << S+ 0 0 76 -3,-1.0 2,-0.7 -4,-0.5 -1,-0.2 0.741 93.9 59.0 -74.7 -22.6 14.4 -22.4 10.9 380 613 A R << + 0 0 176 -3,-1.0 3,-0.3 -4,-0.5 -1,-0.3 -0.568 69.3 142.1-102.4 64.8 14.9 -21.4 7.2 381 614 A R > + 0 0 66 -2,-0.7 4,-2.6 -3,-0.4 5,-0.2 0.022 18.1 121.6-100.3 24.3 17.9 -19.2 7.9 382 615 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 76.8 47.6 -54.5 -47.3 20.0 -19.9 4.8 383 616 A V H > S+ 0 0 59 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.913 114.8 45.9 -61.8 -47.2 20.2 -16.3 3.6 384 617 A W H 4 S+ 0 0 2 2,-0.2 3,-0.2 1,-0.2 -2,-0.2 0.930 114.3 48.2 -60.4 -50.8 21.2 -15.0 7.2 385 618 A D H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.1 43.4 -58.1 -43.8 23.8 -17.7 7.7 386 619 A Q H < S+ 0 0 168 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.708 93.4 103.4 -78.9 -21.2 25.4 -17.1 4.3 387 620 A S S < S- 0 0 27 -4,-1.5 2,-0.2 -3,-0.2 3,-0.1 -0.221 83.0 -98.1 -60.8 151.2 25.3 -13.3 4.5 388 621 A A - 0 0 91 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.483 48.1 -94.0 -70.8 138.2 28.6 -11.4 5.3 389 622 A L - 0 0 54 -2,-0.2 2,-0.5 25,-0.1 -1,-0.1 -0.335 41.4-176.3 -55.8 123.9 29.0 -10.4 8.9 390 623 A D > - 0 0 53 1,-0.1 4,-2.4 -2,-0.1 5,-0.1 -0.968 9.4-164.4-124.7 102.3 27.7 -6.8 9.5 391 624 A V H > S+ 0 0 19 -2,-0.5 4,-3.3 2,-0.2 5,-0.2 0.894 87.9 54.9 -59.3 -40.3 28.5 -5.9 13.1 392 625 A G H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 110.3 44.9 -57.6 -48.7 26.1 -3.0 13.1 393 626 A L H > S+ 0 0 11 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.889 115.0 49.4 -62.8 -41.8 23.2 -5.2 11.9 394 627 A T H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.918 108.0 52.7 -64.1 -45.0 24.2 -7.8 14.5 395 628 A M H >< S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.2 4,-0.3 0.836 100.4 63.4 -61.7 -32.6 24.4 -5.2 17.4 396 629 A Q H >< S+ 0 0 18 -4,-1.7 3,-0.6 1,-0.3 5,-0.2 0.809 100.5 52.6 -60.0 -30.9 20.8 -4.0 16.5 397 630 A L T << S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.509 106.9 53.3 -82.2 -6.4 19.5 -7.5 17.5 398 631 A L T < S+ 0 0 0 -3,-1.5 38,-0.2 -4,-0.3 -1,-0.2 0.298 91.3 94.9-111.9 8.1 21.3 -7.4 20.9 399 632 A D S X S- 0 0 8 -3,-0.6 3,-1.3 -4,-0.3 -3,-0.0 -0.063 97.3 -77.1 -87.7-167.8 19.8 -4.1 22.1 400 633 A C T 3 S+ 0 0 9 1,-0.2 -3,-0.1 -199,-0.0 -4,-0.0 0.570 117.8 73.4 -68.3 -11.2 16.8 -3.3 24.3 401 634 A N T 3 S+ 0 0 83 -5,-0.2 2,-0.5 -199,-0.1 -1,-0.2 0.560 90.8 59.4 -82.7 -11.0 14.3 -3.9 21.4 402 635 A F < + 0 0 11 -3,-1.3 -1,-0.1 1,-0.1 -201,-0.1 -0.978 42.9 160.8-128.0 120.8 14.7 -7.7 21.4 403 636 A S + 0 0 14 -2,-0.5 2,-0.5 34,-0.1 -1,-0.1 0.426 45.5 110.6-115.1 -4.6 13.9 -10.0 24.3 404 637 A D > - 0 0 4 1,-0.1 4,-2.3 34,-0.0 5,-0.2 -0.643 60.2-147.3 -80.1 126.1 13.5 -13.3 22.4 405 638 A E H > S+ 0 0 99 -2,-0.5 4,-2.7 1,-0.2 5,-0.1 0.872 96.7 50.7 -56.3 -45.8 16.3 -15.8 23.0 406 639 A N H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.875 110.7 47.8 -66.4 -38.6 16.2 -17.2 19.5 407 640 A V H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.943 115.3 45.9 -64.4 -47.9 16.4 -13.8 17.8 408 641 A R H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.897 108.6 56.8 -64.3 -38.4 19.3 -12.8 20.1 409 642 A A H X S+ 0 0 38 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.812 101.5 55.0 -62.5 -35.7 21.1 -16.1 19.5 410 643 A I H X S+ 0 0 4 -4,-1.4 4,-1.2 -3,-0.3 -1,-0.2 0.832 107.9 51.2 -69.9 -29.8 21.2 -15.7 15.7 411 644 A A H X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.4 3,-0.2 0.921 111.3 46.6 -68.1 -45.1 22.9 -12.4 16.3 412 645 A V H X S+ 0 0 3 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.872 105.0 60.9 -65.1 -35.8 25.5 -14.1 18.5 413 646 A Q H >< S+ 0 0 65 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.901 104.7 50.1 -53.5 -44.6 25.9 -16.9 16.0 414 647 A K H >< S+ 0 0 18 -4,-1.2 3,-1.2 1,-0.2 -1,-0.2 0.839 103.0 59.5 -65.0 -36.6 27.1 -14.2 13.5 415 648 A L H >< S+ 0 0 0 -4,-1.3 3,-1.8 1,-0.2 -1,-0.2 0.707 85.8 79.1 -64.9 -23.9 29.6 -12.8 16.1 416 649 A E T << S+ 0 0 79 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.798 86.8 59.0 -57.5 -28.3 31.4 -16.2 16.2 417 650 A S T < S+ 0 0 87 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.592 79.2 111.9 -78.4 -14.2 33.1 -15.3 12.9 418 651 A L < - 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0 0 3 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.2 -0.896 36.8-176.5-121.0 148.2 45.0 30.9 7.8 743 998 A S > - 0 0 78 -2,-0.3 3,-2.0 -3,-0.1 2,-0.5 -0.992 55.0 -32.1-144.1 146.4 43.5 34.1 9.4 744 999 A G T 3 S- 0 0 65 -2,-0.3 80,-0.1 1,-0.2 -2,-0.0 -0.260 123.6 -20.9 50.0 -98.9 40.1 35.7 9.5 745 1000 A K T 3 S+ 0 0 125 -2,-0.5 -1,-0.2 2,-0.1 77,-0.0 0.338 110.0 99.0-125.1 4.8 38.3 34.7 6.3 746 1001 A K < - 0 0 137 -3,-2.0 2,-0.2 1,-0.1 -4,-0.0 -0.124 60.4-128.7 -84.7-176.5 41.1 33.8 3.9 747 1002 A T - 0 0 59 -5,-0.1 -1,-0.1 -6,-0.1 -4,-0.1 -0.810 17.1-171.4-133.3 169.2 42.5 30.4 2.9 748 1003 A S > - 0 0 14 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.963 42.1 -98.8-154.6 164.8 45.8 28.4 2.7 749 1004 A P H > S+ 0 0 107 0, 0.0 4,-1.9 0, 0.0 -8,-0.1 0.877 123.7 46.9 -56.9 -39.5 47.2 25.1 1.4 750 1005 A H H > S+ 0 0 50 -10,-0.4 4,-2.6 2,-0.2 -9,-0.1 0.874 112.9 47.9 -70.5 -38.9 47.1 23.6 5.0 751 1006 A F H > S+ 0 0 0 -11,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.849 110.7 51.2 -70.4 -34.4 43.5 24.8 5.6 752 1007 A Q H X S+ 0 0 115 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 110.6 49.7 -66.6 -39.2 42.4 23.4 2.2 753 1008 A K H X S+ 0 0 59 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.944 109.6 51.9 -61.4 -48.1 44.0 20.1 3.2 754 1009 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.899 111.2 45.9 -52.1 -52.0 42.1 20.3 6.6 755 1010 A Q H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.862 113.7 49.7 -60.2 -42.0 38.7 20.8 4.7 756 1011 A D H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 112.3 47.0 -63.1 -49.9 39.5 18.0 2.3 757 1012 A I H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.891 111.5 51.5 -58.3 -47.6 40.4 15.6 5.1 758 1013 A C H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.891 111.5 46.8 -56.5 -48.6 37.3 16.5 7.1 759 1014 A V H X S+ 0 0 15 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.936 114.2 46.4 -61.2 -50.5 35.0 15.9 4.1 760 1015 A K H X S+ 0 0 107 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 116.4 45.9 -57.8 -47.8 36.6 12.5 3.3 761 1016 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.891 114.0 47.7 -62.9 -44.3 36.5 11.5 7.0 762 1017 A Y H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.905 113.4 47.8 -63.4 -44.1 32.9 12.6 7.4 763 1018 A L H X S+ 0 0 23 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.879 109.4 54.0 -65.5 -39.5 31.8 10.8 4.2 764 1019 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.4 0.914 108.4 49.4 -60.3 -45.1 33.6 7.7 5.4 765 1020 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 7,-0.2 0.903 104.7 58.7 -60.6 -41.8 31.7 7.7 8.7 766 1021 A R H >< S+ 0 0 31 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.749 93.7 66.2 -60.4 -24.8 28.4 8.1 6.8 767 1022 A H T << S+ 0 0 103 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.689 107.6 42.0 -69.0 -15.6 29.2 4.8 4.9 768 1023 A H T <> S+ 0 0 59 -3,-2.0 4,-2.1 -4,-0.4 -1,-0.3 -0.178 76.5 136.1-120.4 37.4 28.8 3.2 8.4 769 1024 A T H <> S+ 0 0 22 -3,-1.4 4,-2.4 1,-0.2 5,-0.1 0.883 70.7 49.0 -51.2 -52.1 25.7 5.2 9.5 770 1025 A N H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 110.4 49.9 -62.3 -40.0 23.8 2.2 10.9 771 1026 A L H > S+ 0 0 15 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.910 112.6 47.7 -61.9 -46.8 26.8 0.9 13.0 772 1027 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 -7,-0.2 -2,-0.2 0.888 110.5 52.1 -65.0 -38.7 27.4 4.4 14.4 773 1028 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.913 112.5 44.8 -60.6 -48.2 23.7 4.8 15.3 774 1029 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.936 114.9 47.8 -64.6 -44.0 23.5 1.5 17.1 775 1030 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 114.7 46.0 -62.5 -43.8 26.8 2.1 19.0 776 1031 A F H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 113.1 50.1 -62.7 -48.3 25.6 5.7 20.0 777 1032 A S H X S+ 0 0 11 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.923 113.8 45.1 -57.7 -47.3 22.1 4.4 21.0 778 1033 A M H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.885 109.4 56.2 -65.0 -41.6 23.7 1.6 23.2 779 1034 A M H X>S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 5,-0.7 0.920 110.9 43.4 -57.4 -46.3 26.2 4.1 24.7 780 1035 A L H X5S+ 0 0 23 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.891 114.9 49.4 -66.9 -41.1 23.5 6.4 25.9 781 1036 A M H <5S+ 0 0 5 -4,-2.0 -500,-3.0 -5,-0.2 -499,-0.4 0.770 124.4 27.0 -68.9 -32.0 21.3 3.5 27.2 782 1037 A T H <5S+ 0 0 12 -4,-2.1 -2,-0.2 -502,-0.2 -1,-0.2 0.577 132.0 27.6-108.0 -19.4 24.1 1.8 29.2 783 1038 A G H <5S+ 0 0 5 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.673 113.3 49.7-118.7 -24.9 26.5 4.5 30.1 784 1039 A M S <> - 0 0 41 -2,-0.3 5,-1.2 1,-0.2 4,-0.7 -0.633 28.1-139.7 -70.7 102.7 14.8 9.8 25.6 789 1044 A S T 45S+ 0 0 54 -2,-0.8 -1,-0.2 1,-0.2 -8,-0.0 0.407 99.4 27.1 -50.6 4.6 14.8 6.5 23.6 790 1045 A K T >5S+ 0 0 146 3,-0.0 4,-2.2 4,-0.0 -1,-0.2 0.587 121.7 39.4-126.1 -80.7 14.0 8.9 20.7 791 1046 A E T 45S+ 0 0 144 2,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.865 118.4 40.3 -53.1 -57.5 15.2 12.5 21.0 792 1047 A D T ><5S+ 0 0 82 -4,-0.7 3,-1.2 1,-0.2 4,-0.3 0.924 119.3 47.9 -60.0 -47.0 18.7 12.2 22.6 793 1048 A I T >4 S+ 0 0 81 -3,-1.2 4,-2.6 -4,-0.4 3,-0.5 0.909 87.1 51.2 -49.8 -51.1 21.2 13.5 17.5 796 1051 A I H <> S+ 0 0 1 -3,-0.8 4,-2.0 -4,-0.3 -1,-0.2 0.797 104.5 56.0 -61.0 -32.3 23.6 11.1 15.6 797 1052 A R H 4>S+ 0 0 40 -3,-0.5 5,-1.6 -4,-0.4 -1,-0.2 0.871 112.4 43.6 -68.0 -33.1 21.2 10.6 12.8 798 1053 A D H ><5S+ 0 0 102 -4,-1.5 3,-1.4 -3,-0.5 -2,-0.2 0.905 113.0 50.5 -75.4 -43.2 21.1 14.4 12.3 799 1054 A A H 3<5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.833 111.9 48.6 -59.9 -35.6 24.8 14.8 12.7 800 1055 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.350 106.2-134.2 -88.4 5.4 25.3 12.0 10.1 801 1056 A T T X 5 - 0 0 19 -3,-1.4 3,-1.2 1,-0.1 -3,-0.2 0.888 24.7-159.1 37.5 61.9 22.8 13.8 7.8 802 1057 A V T 3 - 0 0 97 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.403 37.1 -98.3 -81.4 166.8 23.6 12.7 -1.0 806 1061 A E H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.835 121.5 51.6 -57.4 -39.6 27.4 13.1 -0.7 807 1062 A E H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 113.4 44.2 -66.2 -42.4 27.6 16.6 -2.2 808 1063 A D H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 114.4 50.3 -67.1 -41.9 24.9 17.9 0.2 809 1064 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.896 110.3 50.8 -60.8 -42.6 26.6 16.1 3.1 810 1065 A K H X S+ 0 0 77 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.914 111.5 47.2 -59.7 -46.8 30.0 17.7 2.0 811 1066 A K H X S+ 0 0 133 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.900 108.4 56.0 -63.1 -43.7 28.4 21.2 1.9 812 1067 A Y H X S+ 0 0 77 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.915 110.6 43.3 -53.2 -51.6 26.8 20.7 5.3 813 1068 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.860 111.4 53.5 -68.0 -36.1 30.1 19.9 7.0 814 1069 A L H X S+ 0 0 40 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.870 108.0 52.0 -65.4 -32.9 31.9 22.7 5.2 815 1070 A D H X S+ 0 0 80 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.835 105.2 55.1 -69.1 -34.2 29.2 25.0 6.5 816 1071 A Q H X S+ 0 0 33 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.884 105.5 52.6 -65.3 -39.0 29.9 23.7 10.1 817 1072 A I H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.887 108.9 50.4 -60.9 -42.3 33.6 24.7 9.6 818 1073 A E H X S+ 0 0 46 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.883 102.3 59.1 -66.2 -38.3 32.4 28.2 8.6 819 1074 A V H X S+ 0 0 48 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.922 107.3 49.2 -53.7 -46.6 30.2 28.5 11.8 820 1075 A C H X S+ 0 0 4 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.860 110.6 48.9 -58.9 -43.4 33.4 27.9 13.8 821 1076 A R H < S+ 0 0 27 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 110.2 51.9 -67.1 -35.2 35.2 30.6 11.8 822 1077 A D H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 111.2 46.8 -67.3 -38.0 32.3 33.1 12.3 823 1078 A K H >< S+ 0 0 70 -4,-1.9 3,-2.4 1,-0.2 4,-0.2 0.678 81.9 169.5 -79.0 -22.0 32.3 32.6 16.1 824 1079 A G T 3< S- 0 0 22 -4,-1.1 3,-0.3 1,-0.3 4,-0.3 -0.174 72.3 -15.4 48.2-121.9 36.1 32.9 16.5 825 1080 A W T 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.413 111.0 102.2 -88.2 -2.7 37.0 33.2 20.2 826 1081 A T H <> S+ 0 0 74 -3,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.826 82.9 41.9 -53.6 -46.1 33.4 34.0 21.3 827 1082 A V H > S+ 0 0 18 -3,-0.3 4,-0.7 -4,-0.2 3,-0.2 0.908 113.6 52.5 -72.7 -41.1 32.4 30.5 22.7 828 1083 A Q H >> S+ 0 0 5 -4,-0.3 3,-0.7 1,-0.2 4,-0.7 0.903 110.5 49.7 -59.3 -41.0 35.8 30.0 24.4 829 1084 A F H 3X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.793 95.9 72.5 -67.1 -33.9 35.4 33.4 26.1 830 1085 A N H 3X S+ 0 0 33 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.770 90.5 56.9 -58.5 -27.7 31.8 32.5 27.3 831 1086 A W H