==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 03-FEB-12 4DK5 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,J.TANG,P.YAKOWEC . 834 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 13.5 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 . 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 . 92 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 34.1 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 4 3 2 1 4 2 1 2 2 1 2 2 1 1 1 1 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 3 4 1 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 0 128 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.8 30.2 -28.3 1.5 2 145 A E > + 0 0 169 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.768 360.0 62.5 -76.6 -29.2 28.5 -25.3 -0.3 3 146 A E H > S+ 0 0 111 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.844 104.1 49.0 -58.0 -36.5 26.1 -25.1 2.7 4 147 A S H > S+ 0 0 65 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.688 110.4 52.8 -74.5 -21.5 29.3 -24.4 4.8 5 148 A Q H > S+ 0 0 109 -4,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.796 105.5 48.2 -90.8 -33.7 30.4 -21.7 2.2 6 149 A A H X S+ 0 0 59 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.793 113.3 52.1 -70.9 -30.4 27.2 -19.6 2.1 7 150 A F H X S+ 0 0 34 -4,-0.9 4,-2.5 -5,-0.3 -2,-0.2 0.818 106.8 51.8 -72.2 -35.3 27.3 -19.6 5.9 8 151 A Q H X S+ 0 0 14 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.869 107.6 52.4 -66.9 -39.6 30.9 -18.5 5.7 9 152 A R H X S+ 0 0 193 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.847 111.1 49.0 -60.8 -35.7 29.8 -15.6 3.5 10 153 A Q H X S+ 0 0 78 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.922 109.9 48.1 -72.3 -47.8 27.2 -14.8 6.1 11 154 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.5 0.941 109.4 54.6 -57.3 -48.3 29.6 -14.9 9.1 12 155 A T H X>S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 5,-0.8 0.858 108.2 49.6 -51.4 -40.1 32.0 -12.6 7.1 13 156 A A H <5S+ 0 0 59 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 111.0 49.4 -72.1 -31.3 29.2 -10.1 6.6 14 157 A L H <5S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.845 116.6 40.8 -75.0 -37.1 28.3 -10.2 10.3 15 158 A I H <5S- 0 0 1 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.883 98.0-136.5 -77.5 -41.1 31.9 -9.6 11.4 16 159 A G T <5S+ 0 0 49 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.704 77.4 83.4 83.0 22.4 32.7 -7.1 8.7 17 160 A Y S - 0 0 59 -2,-0.3 3,-0.5 1,-0.2 -9,-0.1 -0.644 28.6-176.1 -78.7 103.7 37.0 -11.8 6.0 19 162 A V T 3 S+ 0 0 9 -2,-1.0 -1,-0.2 1,-0.2 464,-0.1 0.961 75.9 59.5 -64.2 -56.7 38.5 -14.3 8.4 20 163 A T T 3 S+ 0 0 58 -12,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.650 85.0 114.0 -53.6 -16.4 39.5 -17.1 6.0 21 164 A D < - 0 0 61 -3,-0.5 -4,-0.0 1,-0.1 0, 0.0 -0.115 43.0-177.8 -56.3 150.3 41.7 -14.5 4.2 22 165 A V > + 0 0 97 3,-0.1 3,-0.6 2,-0.0 -1,-0.1 0.091 51.6 105.3-141.6 21.1 45.5 -14.9 4.2 23 166 A S T 3 S+ 0 0 78 1,-0.2 -2,-0.0 3,-0.0 -1,-0.0 0.758 86.9 42.1 -74.3 -28.6 46.7 -11.8 2.4 24 167 A N T 3 S+ 0 0 7 268,-0.0 265,-0.6 269,-0.0 -1,-0.2 0.087 97.7 93.2-111.9 21.8 47.9 -10.0 5.5 25 168 A V < - 0 0 42 -3,-0.6 3,-0.1 263,-0.1 -3,-0.1 -0.627 45.7-170.5-105.1 168.5 49.6 -12.9 7.4 26 169 A H S S+ 0 0 54 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.014 80.0 14.2-144.7 25.5 53.2 -14.2 7.6 27 170 A D S S- 0 0 44 -5,-0.1 3,-0.2 0, 0.0 4,-0.1 -0.933 85.9 -94.3-174.3-169.0 52.4 -17.4 9.5 28 171 A D S > S+ 0 0 56 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 0.181 76.6 117.5-108.3 16.3 49.4 -19.6 10.4 29 172 A E H > S+ 0 0 5 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.880 75.8 46.8 -57.9 -50.2 48.6 -18.2 13.9 30 173 A L H > S+ 0 0 18 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.818 115.1 49.1 -61.2 -31.4 45.1 -16.9 13.3 31 174 A E H > S+ 0 0 73 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.869 110.2 49.8 -75.9 -38.0 44.3 -20.2 11.6 32 175 A F H X S+ 0 0 65 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.823 109.1 54.7 -63.6 -33.9 45.7 -22.2 14.5 33 176 A T H X S+ 0 0 1 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.836 101.5 56.4 -73.6 -34.8 43.6 -20.0 16.8 34 177 A R H < S+ 0 0 38 -4,-1.4 4,-0.4 2,-0.2 3,-0.3 0.923 111.8 42.8 -61.6 -44.0 40.4 -20.8 14.9 35 178 A R H >X S+ 0 0 161 -4,-1.4 3,-1.1 1,-0.2 4,-0.5 0.885 110.9 55.3 -69.2 -40.2 40.9 -24.6 15.5 36 179 A G H 3< S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.691 105.0 54.0 -67.3 -19.6 42.1 -24.1 19.2 37 180 A L T 3X S+ 0 0 3 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.564 85.6 82.4 -91.9 -9.0 38.9 -22.3 20.0 38 181 A V H <> S+ 0 0 52 -3,-1.1 4,-3.2 -4,-0.4 5,-0.2 0.905 91.1 52.1 -60.0 -41.2 36.6 -25.1 18.7 39 182 A T H X S+ 0 0 100 -4,-0.5 4,-3.4 2,-0.2 5,-0.3 0.973 111.6 41.7 -63.3 -60.6 37.0 -26.9 22.0 40 183 A P H > S+ 0 0 18 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.896 116.9 52.4 -52.2 -41.9 36.0 -24.0 24.4 41 184 A R H >X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 3,-0.6 0.968 115.9 37.6 -55.4 -57.3 33.2 -23.1 21.9 42 185 A M H 3X S+ 0 0 49 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.877 112.3 58.0 -65.9 -39.9 31.8 -26.7 21.9 43 186 A A H 3X S+ 0 0 58 -4,-3.4 4,-0.6 -5,-0.2 -1,-0.2 0.741 113.8 39.7 -63.3 -25.6 32.5 -27.3 25.6 44 187 A E H - 0 0 83 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.472 22.8-148.7 -59.1 117.7 21.4 -25.3 30.1 50 193 A P H > S+ 0 0 73 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.790 93.3 56.1 -63.8 -28.3 19.3 -24.7 26.9 51 194 A K H > S+ 0 0 103 2,-0.2 4,-0.8 1,-0.2 3,-0.1 0.927 112.0 38.5 -67.8 -49.8 16.3 -23.5 29.1 52 195 A L H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.752 112.4 59.5 -75.5 -24.2 18.2 -20.7 31.0 53 196 A Y H < S+ 0 0 5 -4,-1.8 404,-0.3 1,-0.2 -1,-0.2 0.831 103.8 50.2 -71.6 -33.9 20.1 -19.8 27.8 54 197 A A H < S+ 0 0 9 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.777 120.7 34.0 -75.2 -26.9 17.0 -19.0 25.9 55 198 A M H < S- 0 0 4 -4,-0.8 65,-0.8 -5,-0.1 3,-0.2 0.510 86.2-158.0-109.4 -8.7 15.5 -16.8 28.6 56 199 A H < - 0 0 28 -4,-1.3 2,-0.6 1,-0.2 64,-0.2 0.788 11.5-145.6 34.6 62.5 18.7 -15.2 30.0 57 200 A P - 0 0 24 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 -0.377 7.7-140.6 -60.5 107.0 17.5 -14.2 33.4 58 201 A W + 0 0 73 -2,-0.6 73,-1.9 62,-0.3 74,-0.4 -0.547 41.2 166.0 -70.1 93.9 19.4 -11.0 34.1 59 202 A V B -A 130 0A 38 -2,-1.5 363,-0.4 71,-0.2 2,-0.3 -0.897 26.5-163.5-121.4 143.0 20.1 -11.7 37.8 60 203 A T - 0 0 1 69,-2.2 361,-0.0 -2,-0.4 -2,-0.0 -0.794 11.6-160.5-115.0 162.1 22.4 -10.2 40.4 61 204 A S + 0 0 78 -2,-0.3 68,-0.1 2,-0.1 3,-0.0 -0.085 52.5 120.0-133.0 33.2 23.4 -11.6 43.8 62 205 A K S S- 0 0 39 1,-0.1 2,-0.2 67,-0.0 -2,-0.1 -0.546 77.2 -84.5 -91.8 158.8 24.5 -8.4 45.4 63 206 A P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.496 46.3-116.0 -60.1 130.0 23.1 -6.9 48.6 64 207 A L - 0 0 15 -2,-0.2 5,-0.1 1,-0.1 65,-0.0 -0.652 47.0-108.1 -68.5 117.4 20.0 -4.9 47.7 65 208 A P >> - 0 0 7 0, 0.0 4,-1.4 0, 0.0 3,-1.1 0.071 14.6-113.4 -57.8 158.9 21.3 -1.4 48.7 66 209 A E H 3> S+ 0 0 139 1,-0.2 4,-1.6 556,-0.2 560,-0.1 0.794 114.4 60.2 -59.2 -32.3 20.0 0.6 51.8 67 210 A Y H 34 S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 560,-0.0 0.706 110.0 40.7 -73.1 -20.6 18.5 3.2 49.5 68 211 A L H X4 S+ 0 0 5 -3,-1.1 3,-0.6 2,-0.0 -1,-0.2 0.608 109.1 59.7-101.5 -16.4 16.2 0.7 47.8 69 212 A W H 3< S+ 0 0 82 -4,-1.4 2,-2.7 1,-0.2 3,-0.3 0.987 103.5 50.1 -65.1 -66.0 15.3 -1.2 51.0 70 213 A K T 3< S+ 0 0 198 -4,-1.6 -1,-0.2 1,-0.3 -4,-0.1 -0.211 98.7 71.7 -73.0 49.2 13.8 1.9 52.7 71 214 A K S < S+ 0 0 135 -2,-2.7 2,-0.3 -3,-0.6 -1,-0.3 -0.221 82.0 100.5-147.5 43.7 11.7 2.5 49.6 72 215 A I S S- 0 0 49 -3,-0.3 2,-1.1 5,-0.0 5,-0.1 -0.911 77.0-119.6-133.8 155.3 9.3 -0.4 50.1 73 216 A A S S- 0 0 62 3,-0.9 -3,-0.1 -2,-0.3 0, 0.0 -0.575 82.0 -62.6 -94.4 68.6 5.8 -1.1 51.4 74 217 A N S S- 0 0 151 -2,-1.1 -1,-0.1 1,-0.2 3,-0.1 0.966 103.4 -40.4 52.8 75.6 6.8 -3.5 54.3 75 218 A N S S+ 0 0 104 -6,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.868 116.7 109.2 42.9 49.0 8.4 -6.5 52.5 76 219 A C - 0 0 31 17,-0.2 -3,-0.9 18,-0.1 2,-0.4 -0.950 44.7-172.8-153.6 128.9 5.8 -6.4 49.8 77 220 A I E -B 92 0B 13 15,-3.6 15,-1.9 -2,-0.3 2,-0.7 -0.954 24.5-124.6-123.7 146.7 6.0 -5.5 46.1 78 221 A F E -B 91 0B 126 -2,-0.4 65,-1.0 13,-0.2 2,-0.6 -0.805 25.6-175.9 -93.6 113.9 3.1 -5.1 43.6 79 222 A I E -Bc 90 143B 7 11,-2.3 11,-2.6 -2,-0.7 2,-0.6 -0.957 13.6-151.0-109.8 118.3 3.6 -7.2 40.5 80 223 A V E -Bc 89 144B 12 63,-1.8 65,-2.6 -2,-0.6 2,-0.4 -0.802 11.9-159.9 -92.8 119.7 0.9 -6.7 37.8 81 224 A I E -Bc 88 145B 4 7,-1.8 7,-2.1 -2,-0.6 2,-0.4 -0.854 3.7-151.3-106.0 135.9 0.3 -9.8 35.7 82 225 A H E +Bc 87 146B 20 63,-1.6 65,-1.9 -2,-0.4 5,-0.2 -0.901 16.7 178.4-115.7 128.6 -1.4 -9.6 32.3 83 226 A R S S- 0 0 193 3,-1.9 -1,-0.2 -2,-0.4 64,-0.1 0.702 78.8 -33.5 -83.5-109.9 -3.5 -12.3 30.5 84 227 A S S S- 0 0 120 2,-0.1 -2,-0.1 62,-0.1 3,-0.1 0.965 122.9 -44.1 -74.0 -66.5 -4.8 -11.1 27.1 85 228 A T S S+ 0 0 113 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 0.525 119.8 77.9-126.5 -64.1 -5.2 -7.5 28.0 86 229 A T - 0 0 112 -4,-0.1 -3,-1.9 1,-0.1 2,-0.3 -0.046 66.8-152.2 -56.7 155.6 -6.9 -7.2 31.5 87 230 A S E -B 82 0B 64 -5,-0.2 2,-0.4 -4,-0.1 -5,-0.2 -0.879 20.3-146.2-136.7 156.4 -4.7 -7.8 34.5 88 231 A Q E -B 81 0B 127 -7,-2.1 -7,-1.8 -2,-0.3 2,-0.2 -0.983 22.0-142.7-124.9 119.7 -4.5 -9.0 38.2 89 232 A T E -B 80 0B 61 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.564 17.8-157.0 -77.1 140.2 -2.0 -7.3 40.6 90 233 A I E -B 79 0B 18 -11,-2.6 -11,-2.3 -2,-0.2 2,-0.4 -0.977 15.4-129.8-125.4 133.8 -0.4 -9.6 43.1 91 234 A K E +B 78 0B 165 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.670 37.7 177.1 -74.4 129.8 1.2 -8.8 46.5 92 235 A V E -B 77 0B 4 -15,-1.9 -15,-3.6 -2,-0.4 9,-0.0 -0.986 25.6-130.3-140.7 145.3 4.7 -10.4 46.6 93 236 A S > - 0 0 38 -2,-0.3 3,-2.5 -17,-0.2 34,-0.3 -0.725 32.4-110.1 -95.6 149.7 7.6 -10.5 49.1 94 237 A P T 3 S+ 0 0 4 0, 0.0 34,-1.6 0, 0.0 35,-0.2 0.647 117.5 53.1 -51.0 -18.4 11.3 -9.8 48.1 95 238 A D T 3 S+ 0 0 100 31,-0.2 2,-0.6 32,-0.1 -20,-0.0 0.563 75.4 120.5 -97.2 -9.8 12.1 -13.5 48.6 96 239 A D < - 0 0 51 -3,-2.5 31,-0.8 30,-0.1 5,-0.1 -0.408 59.3-138.7 -64.2 105.2 9.4 -15.0 46.4 97 240 A T >> - 0 0 38 -2,-0.6 4,-1.2 29,-0.2 3,-1.1 -0.377 21.0-115.5 -61.1 140.1 11.1 -17.1 43.7 98 241 A P H >> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.854 113.4 52.0 -46.6 -52.7 9.4 -16.7 40.2 99 242 A G H 3> S+ 0 0 33 24,-0.3 4,-0.7 1,-0.3 25,-0.1 0.786 110.1 51.3 -57.3 -30.7 8.1 -20.3 39.8 100 243 A A H <> S+ 0 0 50 -3,-1.1 4,-1.4 2,-0.2 -1,-0.3 0.723 102.0 59.0 -78.9 -25.7 6.5 -20.0 43.3 101 244 A I H -D 145 0B 2 5,-3.0 3,-2.6 -2,-0.5 5,-0.3 -0.291 45.5-100.8 -56.2 120.2 8.5 -8.3 31.4 115 275 A C T 3 S+ 0 0 18 29,-1.7 474,-0.2 1,-0.3 -1,-0.1 -0.192 103.9 7.5 -50.8 114.5 5.9 -6.3 29.5 116 276 A G T 3 S+ 0 0 9 1,-0.2 442,-0.5 472,-0.1 2,-0.3 0.149 117.7 78.5 103.9 -14.3 7.5 -4.7 26.5 117 277 A R S < S- 0 0 40 -3,-2.6 2,-1.5 2,-0.2 -1,-0.2 -0.836 82.0-116.5-127.7 156.4 10.8 -6.4 26.6 118 278 A D S S+ 0 0 19 438,-2.2 2,-0.3 -2,-0.3 -3,-0.1 -0.688 76.0 121.4 -85.0 78.0 12.6 -9.6 25.9 119 279 A E - 0 0 12 -2,-1.5 -5,-3.0 -5,-0.3 2,-0.4 -0.964 45.5-159.1-146.8 124.1 13.3 -10.1 29.6 120 280 A Y B -E 113 0B 18 -65,-0.8 2,-1.0 -2,-0.3 -62,-0.3 -0.863 18.2-146.4-114.7 140.5 12.2 -13.1 31.7 121 281 A L + 0 0 7 -9,-1.9 -9,-0.3 -2,-0.4 2,-0.2 -0.725 56.0 128.5 -99.5 79.0 11.8 -13.6 35.4 122 282 A V + 0 0 18 -2,-1.0 3,-0.1 -67,-0.1 -2,-0.0 -0.759 28.0 48.4-125.9 172.2 12.8 -17.3 35.6 123 283 A G S S- 0 0 23 -2,-0.2 2,-1.6 1,-0.1 -24,-0.3 -0.018 93.3 -52.8 85.9 172.6 15.2 -19.6 37.5 124 284 A E S S+ 0 0 169 -27,-0.1 -1,-0.1 -26,-0.1 -27,-0.1 -0.456 93.0 106.9 -90.8 64.9 15.9 -20.2 41.2 125 285 A T S S- 0 0 29 -2,-1.6 -64,-0.0 -3,-0.1 5,-0.0 -0.987 74.3-106.3-130.9 142.2 16.7 -16.6 42.3 126 286 A P > - 0 0 37 0, 0.0 3,-2.1 0, 0.0 -29,-0.2 -0.335 33.2-113.6 -61.1 151.9 14.4 -14.4 44.5 127 287 A I G > S+ 0 0 3 -31,-0.8 3,-1.2 1,-0.3 6,-0.2 0.705 115.2 65.6 -66.9 -21.0 12.7 -11.6 42.6 128 288 A K G 3 S+ 0 0 50 -34,-1.6 -1,-0.3 1,-0.2 -33,-0.1 0.519 96.0 61.9 -71.8 -7.8 14.7 -8.9 44.5 129 289 A N G < S+ 0 0 24 -3,-2.1 -69,-2.2 -35,-0.2 2,-0.5 0.099 81.1 97.0-106.7 17.4 17.7 -10.4 42.7 130 290 A F B <> S-A 59 0A 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581 A E H >4 S+ 0 0 53 -3,-0.2 3,-1.5 1,-0.2 4,-0.4 0.914 110.1 55.4 -66.0 -44.4 56.8 -12.6 51.9 350 582 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 6,-0.3 0.701 99.4 61.0 -63.0 -22.0 55.5 -10.5 48.9 351 583 A L T 3< S+ 0 0 8 -4,-0.9 -1,-0.3 1,-0.2 34,-0.2 0.722 92.8 64.6 -76.0 -23.7 53.5 -13.6 47.8 352 584 A K T < S+ 0 0 124 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.621 96.2 66.9 -72.5 -14.5 51.5 -13.5 51.1 353 585 A H X> - 0 0 72 -3,-0.6 3,-2.8 -4,-0.4 4,-0.6 -0.896 68.9-159.7-113.4 101.6 50.1 -10.1 50.0 354 586 A P G >4 S+ 0 0 33 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.775 93.1 60.4 -44.6 -33.6 47.8 -10.2 46.9 355 587 A K G 34 S+ 0 0 139 1,-0.2 4,-0.5 2,-0.1 -4,-0.1 0.597 93.8 63.4 -74.4 -13.8 48.4 -6.5 46.4 356 588 A A G <> S+ 0 0 0 -3,-2.8 4,-3.3 -6,-0.3 -1,-0.2 0.725 81.7 87.8 -79.0 -20.8 52.2 -7.0 46.0 357 589 A Y H S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.946 121.5 40.9 -55.8 -48.3 51.5 -6.3 40.2 359 591 A K H 4 S+ 0 0 13 -4,-0.5 3,-0.4 1,-0.2 -2,-0.2 0.863 114.2 54.5 -63.0 -39.1 54.6 -4.8 41.7 360 592 A L H >< S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.2 -1,-0.2 0.898 109.6 44.0 -67.1 -44.0 56.2 -8.2 42.3 361 593 A F H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.493 106.4 62.4 -84.0 -4.2 55.9 -9.4 38.7 362 594 A S T 3< S+ 0 0 34 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.307 97.0 61.9 -90.2 2.5 57.2 -6.0 37.6 363 595 A S S < S+ 0 0 9 -3,-1.2 2,-0.3 -5,-0.1 -2,-0.2 0.408 80.7 108.5-103.3 -2.0 60.4 -6.8 39.5 364 596 A V - 0 0 2 -3,-0.2 2,-0.9 -4,-0.1 3,-0.1 -0.583 65.7-138.8 -85.7 134.7 61.2 -9.8 37.4 365 597 A K > - 0 0 121 -2,-0.3 3,-0.7 1,-0.2 7,-0.2 -0.842 21.6-175.9 -89.8 106.5 64.1 -9.8 34.9 366 598 A W T 3 S+ 0 0 12 -2,-0.9 -1,-0.2 1,-0.2 6,-0.1 0.642 72.6 70.2 -86.0 -15.4 62.6 -11.6 32.0 367 599 A G T 3 S+ 0 0 21 1,-0.1 2,-0.5 -136,-0.1 -140,-0.3 0.227 88.0 81.0 -80.5 15.5 65.7 -11.6 29.8 368 600 A Q X> - 0 0 96 -3,-0.7 4,-2.0 1,-0.2 3,-1.1 -0.903 68.6-155.7-133.9 101.4 67.2 -14.1 32.3 369 601 A Q H 3> S+ 0 0 34 -2,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.808 91.7 47.2 -45.8 -51.7 66.1 -17.8 31.9 370 602 A E H 3> S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.765 110.0 53.3 -69.3 -27.8 66.7 -18.9 35.5 371 603 A I H <> S+ 0 0 22 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.930 109.2 49.2 -68.7 -45.0 64.9 -15.9 37.0 372 604 A V H X S+ 0 0 19 -4,-2.0 4,-1.9 -7,-0.2 -2,-0.2 0.889 109.6 52.6 -58.7 -41.1 61.9 -16.7 34.9 373 605 A A H X S+ 0 0 39 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.915 108.4 50.2 -59.7 -46.2 62.1 -20.3 36.1 374 606 A K H X S+ 0 0 87 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.825 106.9 55.5 -60.4 -36.2 62.1 -19.1 39.7 375 607 A T H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.878 106.3 50.1 -65.2 -40.0 59.1 -16.9 38.9 376 608 A Y H X S+ 0 0 53 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.781 108.3 52.7 -70.8 -29.1 57.1 -20.0 37.7 377 609 A Q H X S+ 0 0 135 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.849 107.6 52.9 -67.9 -36.8 58.1 -21.8 40.9 378 610 A L H < S+ 0 0 0 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.836 110.1 46.9 -65.2 -36.2 56.7 -18.7 42.7 379 611 A L H >< S+ 0 0 6 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.777 102.4 64.1 -77.2 -27.1 53.4 -19.1 40.8 380 612 A A H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 106.5 45.3 -64.5 -23.5 53.3 -22.9 41.5 381 613 A R T 3< S+ 0 0 136 -4,-0.7 2,-0.8 -3,-0.3 3,-0.3 -0.261 73.5 129.4-115.9 44.1 53.0 -22.0 45.2 382 614 A R <> + 0 0 61 -3,-1.0 4,-2.1 1,-0.2 5,-0.1 -0.382 15.6 141.2-101.5 57.6 50.3 -19.2 45.0 383 615 A E H > S+ 0 0 117 -2,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.898 70.2 52.2 -62.7 -45.4 47.8 -20.5 47.6 384 616 A V H > S+ 0 0 61 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.863 111.4 47.3 -63.5 -40.2 47.0 -17.0 49.1 385 617 A W H 4 S+ 0 0 3 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.937 110.8 51.7 -63.0 -49.3 46.2 -15.6 45.7 386 618 A D H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.699 117.4 39.3 -61.8 -23.7 44.0 -18.6 44.8 387 619 A Q H < S+ 0 0 159 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.659 91.2 111.1-100.3 -22.5 42.0 -18.3 48.0 388 620 A S S < S- 0 0 32 -4,-1.5 2,-0.6 -3,-0.3 3,-0.0 -0.116 78.8-102.0 -58.1 148.0 41.7 -14.4 48.2 389 621 A A - 0 0 100 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.656 54.4-100.2 -72.2 117.4 38.4 -12.6 47.7 390 622 A L - 0 0 53 -2,-0.6 2,-0.5 25,-0.1 -1,-0.1 -0.032 35.2-167.0 -45.9 126.3 38.6 -11.2 44.2 391 623 A D > - 0 0 67 1,-0.1 4,-1.9 -3,-0.0 5,-0.1 -0.988 11.9-155.6-113.4 130.1 39.5 -7.6 43.6 392 624 A V H > S+ 0 0 22 -2,-0.5 4,-3.2 2,-0.2 5,-0.2 0.835 93.2 57.6 -71.0 -34.7 38.8 -6.3 40.0 393 625 A G H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 110.1 42.3 -64.7 -41.0 41.5 -3.5 40.4 394 626 A L H > S+ 0 0 9 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.917 115.6 50.8 -69.4 -45.1 44.2 -6.0 41.1 395 627 A T H >< S+ 0 0 1 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.916 110.2 48.7 -58.4 -47.2 42.9 -8.3 38.4 396 628 A M H >X S+ 0 0 1 -4,-3.2 3,-2.3 1,-0.2 4,-0.5 0.911 103.4 60.9 -60.9 -44.3 42.8 -5.5 35.8 397 629 A Q H >< S+ 0 0 8 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.807 103.8 51.6 -51.1 -35.5 46.4 -4.4 36.7 398 630 A L T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 14,-0.2 0.353 106.8 52.8 -87.5 2.6 47.6 -7.9 35.7 399 631 A L T <4 S+ 0 0 0 -3,-2.3 -1,-0.2 -4,-0.2 38,-0.2 0.349 93.1 93.8-114.9 4.0 45.9 -7.8 32.3 400 632 A D S X< S- 0 0 4 -3,-0.6 3,-1.5 -4,-0.5 -3,-0.0 -0.099 96.7 -79.8 -86.5-171.5 47.3 -4.5 31.1 401 633 A C T 3 S+ 0 0 6 1,-0.3 -202,-0.1 -203,-0.1 -3,-0.1 0.686 117.8 71.5 -64.7 -24.7 50.4 -3.6 29.0 402 634 A N T 3 S+ 0 0 85 -5,-0.2 2,-0.4 -204,-0.2 -1,-0.3 0.595 96.8 57.5 -70.1 -12.8 52.9 -4.0 31.9 403 635 A F < + 0 0 12 -3,-1.5 -205,-0.1 1,-0.1 -41,-0.1 -0.978 45.0 152.4-129.3 135.7 52.4 -7.8 31.9 404 636 A S + 0 0 10 -2,-0.4 2,-0.4 34,-0.1 -1,-0.1 0.372 38.6 114.6-140.2 -12.6 53.0 -10.1 28.9 405 637 A D > - 0 0 2 1,-0.2 4,-2.6 -208,-0.1 5,-0.2 -0.576 61.2-142.7 -68.2 126.4 53.8 -13.4 30.6 406 638 A E H > S+ 0 0 58 -2,-0.4 4,-1.6 -173,-0.2 -1,-0.2 0.853 99.2 49.5 -59.8 -38.0 51.1 -15.9 29.8 407 639 A N H > S+ 0 0 77 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.878 111.1 48.0 -71.4 -38.4 51.2 -17.5 33.3 408 640 A V H >> S+ 0 0 1 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.977 114.5 46.3 -63.3 -53.4 51.1 -14.1 35.1 409 641 A R H >X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.3 3,-0.5 0.815 106.3 61.2 -56.2 -34.0 48.1 -13.0 33.0 410 642 A A H 3X S+ 0 0 38 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.3 0.732 95.5 59.9 -70.2 -21.3 46.5 -16.4 33.6 411 643 A I H X S+ 0 0 3 -4,-1.9 4,-1.4 1,-0.2 3,-0.6 0.903 105.3 60.2 -59.4 -40.8 41.9 -14.6 34.3 414 646 A Q H >< S+ 0 0 59 -4,-2.1 3,-0.7 1,-0.3 4,-0.4 0.921 104.6 48.9 -48.6 -48.7 41.6 -17.3 36.9 415 647 A K H >< S+ 0 0 21 -4,-1.2 3,-0.7 1,-0.2 -1,-0.3 0.783 106.2 57.7 -63.0 -27.8 40.2 -14.7 39.3 416 648 A L H X< S+ 0 0 1 -4,-1.3 3,-2.1 -3,-0.6 -1,-0.2 0.764 88.0 75.2 -73.7 -27.3 37.8 -13.5 36.6 417 649 A E T << S+ 0 0 79 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.787 93.2 54.4 -53.9 -30.1 36.2 -17.0 36.3 418 650 A S T < S+ 0 0 82 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.3 0.370 80.3 115.7 -91.7 1.7 34.4 -16.4 39.6 419 651 A L S < S- 0 0 8 -3,-2.1 2,-0.1 1,-0.1 5,-0.0 -0.555 70.1-120.0 -70.8 133.4 32.8 -13.1 38.5 420 652 A E >> - 0 0 53 -2,-0.3 4,-1.2 1,-0.1 3,-1.1 -0.468 29.7-107.0 -70.4 147.8 29.0 -13.3 38.4 421 653 A D H 3> S+ 0 0 44 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.790 119.7 58.2 -48.0 -34.4 27.5 -12.6 34.9 422 654 A D H 3> S+ 0 0 3 -363,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.915 104.9 49.3 -64.2 -43.2 26.3 -9.2 36.0 423 655 A D H <> S+ 0 0 33 -3,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.707 104.0 61.1 -68.3 -22.6 29.8 -8.1 37.0 424 656 A V H >X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.2 3,-1.5 0.958 101.2 51.3 -67.8 -49.7 31.1 -9.3 33.7 425 657 A L H 3< S+ 0 0 24 -4,-1.6 4,-0.5 1,-0.3 -2,-0.2 0.866 105.4 58.9 -53.0 -38.8 28.9 -6.8 31.8 426 658 A H H 3< S+ 0 0 30 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.773 122.5 21.6 -59.4 -30.3 30.2 -4.1 34.1 427 659 A Y H XX S+ 0 0 15 -3,-1.5 4,-2.2 -4,-0.7 3,-0.8 0.488 91.7 105.9-118.8 -8.2 33.8 -4.7 33.0 428 660 A L H 3X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.3 5,-0.2 0.818 76.9 55.8 -45.4 -49.3 33.3 -6.4 29.6 429 661 A L H 3> S+ 0 0 6 -4,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.903 111.6 42.0 -54.6 -47.6 34.4 -3.4 27.5 430 662 A Q H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.867 112.4 54.9 -71.4 -35.2 37.8 -3.1 29.2 431 663 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.899 108.1 49.0 -63.5 -39.8 38.3 -6.9 29.2 432 664 A V H >< S+ 0 0 0 -4,-2.7 3,-0.9 -5,-0.2 4,-0.3 0.930 113.9 46.7 -61.2 -44.5 37.7 -6.8 25.4 433 665 A Q H >< S+ 0 0 7 -4,-2.1 3,-2.1 1,-0.2 -2,-0.2 0.866 101.8 65.0 -65.8 -33.5 40.2 -3.9 25.3 434 666 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 4,-0.3 0.744 86.6 72.5 -62.8 -23.0 42.6 -5.9 27.5 435 667 A V G X< S+ 0 0 0 -3,-0.9 3,-1.2 -4,-0.8 -1,-0.3 0.756 81.7 71.4 -60.9 -25.9 42.9 -8.4 24.7 436 668 A K G < S+ 0 0 3 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.517 96.5 52.3 -67.7 -4.9 45.0 -5.8 22.8 437 669 A F G < S+ 0 0 7 -3,-1.8 -1,-0.2 -38,-0.2 -2,-0.2 0.457 81.8 108.0-110.1 -6.4 47.7 -6.6 25.4 438 670 A E < - 0 0 8 -3,-1.2 -34,-0.1 -4,-0.3 -33,-0.1 -0.582 63.4-145.6 -70.1 128.5 47.8 -10.3 24.9 439 671 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.898 81.5 42.4 -59.0 -44.7 51.0 -11.5 23.1 440 672 A Y S S- 0 0 7 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 -0.751 81.5-123.7-110.3 153.8 49.2 -14.4 21.2 441 673 A H S S+ 0 0 16 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.776 101.5 59.7 -64.7 -29.6 45.8 -14.5 19.5 442 674 A D S S+ 0 0 32 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.917 73.1 148.3-106.0 118.0 44.7 -17.5 21.7 443 675 A S > - 0 0 4 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.964 61.7-104.8-145.7 155.6 44.8 -16.6 25.4 444 676 A A H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.872 122.2 51.4 -43.9 -45.6 42.9 -17.5 28.6 445 677 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.915 108.1 49.0 -62.2 -50.7 41.2 -14.1 28.4 446 678 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.933 115.1 46.2 -52.5 -49.3 40.0 -14.6 24.8 447 679 A R H X S+ 0 0 85 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.881 111.0 53.0 -61.9 -40.3 38.7 -18.0 25.8 448 680 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.944 113.5 41.6 -61.6 -50.5 37.1 -16.5 28.9 449 681 A L H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 5,-0.3 0.913 113.1 56.5 -61.6 -43.9 35.3 -13.8 27.0 450 682 A L H X S+ 0 0 0 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.903 115.1 35.9 -53.8 -46.2 34.5 -16.4 24.3 451 683 A K H X S+ 0 0 56 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.913 113.8 53.9 -81.5 -40.6 32.8 -18.7 26.8 452 684 A R H X S+ 0 0 6 -4,-2.8 4,-0.8 1,-0.3 8,-0.3 0.821 111.7 48.3 -61.5 -33.0 31.1 -16.1 29.1 453 685 A G H < S+ 0 0 0 -4,-2.2 7,-0.6 -5,-0.2 -1,-0.3 0.810 111.9 49.8 -71.5 -31.7 29.5 -14.6 26.0 454 686 A L H < S+ 0 0 0 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.704 109.5 50.6 -80.3 -21.2 28.4 -18.1 24.9 455 687 A R H < S+ 0 0 86 -4,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.705 115.0 44.8 -86.3 -21.9 26.9 -18.9 28.3 456 688 A N X - 0 0 26 -4,-0.8 4,-2.7 -5,-0.2 -1,-0.2 -0.980 64.0-153.2-134.7 118.9 24.9 -15.6 28.4 457 689 A K H > S+ 0 0 28 -2,-0.4 4,-1.6 -404,-0.3 -1,-0.1 0.791 99.5 49.4 -61.3 -29.5 22.8 -14.1 25.6 458 690 A R H > S+ 0 0 37 2,-0.2 4,-2.1 3,-0.1 5,-0.3 0.977 112.2 43.6 -74.2 -58.4 23.3 -10.6 27.0 459 691 A I H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -6,-0.2 0.926 115.6 52.7 -47.9 -48.8 27.1 -10.7 27.5 460 692 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 -7,-0.6 -1,-0.2 0.857 105.2 53.6 -56.8 -42.4 27.2 -12.3 24.0 461 693 A H H X S+ 0 0 2 -4,-1.6 4,-1.7 -3,-0.2 -1,-0.2 0.973 114.1 40.9 -53.8 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48.0 -64.5 -47.6 45.1 4.3 31.9 788 1033 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.825 108.6 57.1 -61.3 -34.7 43.6 1.4 29.9 789 1034 A M H X>S+ 0 0 6 -4,-2.4 4,-1.9 -5,-0.2 5,-0.6 0.968 112.7 39.6 -57.0 -53.9 41.0 3.9 28.6 790 1035 A L H X5S+ 0 0 7 -4,-2.1 4,-0.8 3,-0.2 -2,-0.2 0.865 117.4 49.1 -65.1 -40.5 43.8 6.1 27.3 791 1036 A M H <5S+ 0 0 11 -4,-2.8 -509,-2.4 1,-0.2 -508,-0.4 0.800 125.2 24.3 -72.5 -32.5 46.0 3.3 26.0 792 1037 A T H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.573 135.2 24.2-110.5 -13.4 43.3 1.3 24.1 793 1038 A G H <5S+ 0 0 2 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.571 112.9 51.5-131.5 -16.5 40.7 4.0 23.2 794 1039 A M ><< + 0 0 17 -4,-0.8 3,-0.8 -5,-0.6 -1,-0.1 -0.680 46.6 165.2-135.8 82.3 42.1 7.5 23.2 795 1040 A P T 3 S+ 0 0 61 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.655 70.6 71.6 -73.7 -19.3 45.3 7.9 21.0 796 1041 A Q T 3 S+ 0 0 111 1,-0.3 2,-0.4 2,-0.1 3,-0.0 0.814 107.0 35.9 -66.4 -31.9 45.1 11.7 20.9 797 1042 A L S < S+ 0 0 87 -3,-0.8 -1,-0.3 -7,-0.2 -3,-0.1 -0.756 72.4 132.9-125.1 83.2 46.2 11.9 24.6 798 1043 A T + 0 0 18 -3,-0.4 -518,-2.1 -2,-0.4 2,-0.2 -0.049 35.5 116.1-124.1 30.8 48.7 9.1 25.3 799 1044 A S S > S- 0 0 27 -520,-0.2 4,-1.2 1,-0.1 3,-0.4 -0.565 74.6-115.4 -96.2 162.8 51.5 10.9 27.2 800 1045 A K H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.783 114.7 62.3 -65.2 -28.7 52.7 10.3 30.8 801 1046 A E H 4 S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.854 103.0 49.6 -61.8 -37.4 51.5 13.8 31.7 802 1047 A D H >4 S+ 0 0 51 -3,-0.4 3,-0.8 1,-0.2 4,-0.3 0.847 111.2 46.6 -75.0 -36.7 47.9 12.9 30.8 803 1048 A I H >< S+ 0 0 13 -4,-1.2 3,-1.1 1,-0.2 4,-0.4 0.852 103.9 62.0 -75.0 -35.7 47.8 9.7 32.9 804 1049 A E T 3X S+ 0 0 85 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.355 83.4 83.5 -73.9 7.3 49.3 11.4 36.0 805 1050 A Y H <> S+ 0 0 82 -3,-0.8 4,-2.8 2,-0.2 3,-0.4 0.902 85.3 54.8 -69.7 -42.7 46.3 13.7 36.1 806 1051 A I H <> S+ 0 0 2 -3,-1.1 4,-1.9 -4,-0.3 -1,-0.2 0.703 98.8 61.2 -72.1 -22.3 44.3 11.2 38.0 807 1052 A R H 4>S+ 0 0 58 -4,-0.4 5,-1.6 2,-0.2 4,-0.3 0.915 112.7 38.4 -63.2 -45.1 46.9 10.8 40.7 808 1053 A D H ><5S+ 0 0 107 -4,-0.8 3,-1.2 -3,-0.4 -2,-0.2 0.952 116.3 51.5 -69.0 -50.8 46.4 14.5 41.5 809 1054 A A H 3<5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.809 116.8 39.1 -57.1 -36.9 42.6 14.4 41.0 810 1055 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.436 105.6-131.8 -94.5 -0.4 42.2 11.5 43.3 811 1056 A T T < 5 - 0 0 11 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.955 25.5-152.1 45.8 72.6 44.8 12.8 45.8 812 1057 A V S - 0 0 92 -3,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.286 31.3 -95.6 -75.3 166.4 44.5 10.8 54.1 816 1061 A E H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.878 117.6 48.9 -49.0 -58.7 40.7 11.1 54.0 817 1062 A E H > S+ 0 0 131 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.840 112.8 48.2 -56.9 -39.9 40.1 14.4 55.9 818 1063 A D H > S+ 0 0 86 -3,-0.4 4,-0.8 2,-0.2 -1,-0.3 0.801 111.3 50.8 -70.8 -32.3 42.8 16.3 54.0 819 1064 A A H X S+ 0 0 1 -4,-1.6 4,-1.6 -3,-0.5 -2,-0.2 0.822 104.6 57.5 -75.1 -35.3 41.3 15.0 50.6 820 1065 A K H X S+ 0 0 102 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 105.7 50.7 -54.6 -47.5 37.8 16.2 51.7 821 1066 A K H X S+ 0 0 133 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.748 106.6 55.4 -64.6 -27.5 39.3 19.7 52.1 822 1067 A Y H X S+ 0 0 81 -4,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.855 110.5 44.3 -72.4 -37.3 40.8 19.5 48.6 823 1068 A F H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.887 110.7 53.1 -74.4 -40.2 37.4 18.7 47.1 824 1069 A L H X S+ 0 0 43 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.839 106.7 54.3 -62.9 -35.4 35.6 21.4 49.1 825 1070 A D H < S+ 0 0 94 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.860 104.0 56.9 -61.0 -38.2 38.2 23.9 47.8 826 1071 A Q H >X S+ 0 0 28 -4,-1.0 3,-1.6 1,-0.2 4,-1.5 0.912 105.7 47.4 -62.0 -48.9 37.3 22.7 44.2 827 1072 A I H 3X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.3 -1,-0.2 0.893 108.2 58.6 -56.6 -40.7 33.6 23.6 44.7 828 1073 A E H 3< S+ 0 0 79 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.328 101.6 53.9 -78.1 6.8 34.8 27.0 46.1 829 1074 A V H <> S+ 0 0 54 -3,-1.6 4,-2.1 2,-0.1 -1,-0.2 0.692 104.8 53.4 -98.6 -36.9 36.6 27.7 42.8 830 1075 A C H X S+ 0 0 4 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.746 107.9 52.5 -64.4 -26.4 33.4 27.1 40.9 831 1076 A R H < S+ 0 0 39 -4,-1.2 3,-0.2 2,-0.2 -1,-0.2 0.902 110.3 47.4 -73.0 -43.7 31.8 29.7 43.2 832 1077 A D H 4 S+ 0 0 128 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.856 110.8 50.8 -64.2 -38.9 34.5 32.2 42.4 833 1078 A K H >< S+ 0 0 67 -4,-2.1 3,-2.1 1,-0.2 2,-0.3 0.711 75.8 167.9 -80.4 -24.5 34.5 31.7 38.6 834 1079 A G T 3< S- 0 0 18 -4,-0.8 4,-0.2 1,-0.2 -1,-0.2 -0.260 70.2 -18.1 54.7-105.7 30.7 32.2 38.1 835 1080 A W T 3> S+ 0 0 44 -2,-0.3 4,-2.4 2,-0.1 -1,-0.2 0.321 106.4 99.1-116.6 1.6 29.9 32.6 34.4 836 1081 A T H <> S+ 0 0 70 -3,-2.1 4,-0.8 1,-0.2 -2,-0.1 0.648 83.4 58.9 -68.0 -12.8 33.4 33.5 33.0 837 1082 A V H 4 S+ 0 0 17 -4,-0.3 4,-0.5 2,-0.2 3,-0.4 0.976 111.0 34.5 -74.7 -64.6 33.6 29.9 32.0 838 1083 A Q H >4 S+ 0 0 3 1,-0.2 3,-1.2 -4,-0.2 4,-0.4 0.885 115.0 59.5 -58.1 -43.5 30.6 29.6 29.7 839 1084 A F H >< S+ 0 0 123 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.846 96.7 59.9 -55.1 -42.7 31.1 33.2 28.5 840 1085 A N G >< S+ 0 0 78 -4,-0.8 3,-0.6 -3,-0.4 -1,-0.2 0.617 90.4 68.9 -69.7 -16.2 34.6 32.6 27.1 841 1086 A W G < S+ 0 0 90 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.733 76.5 87.3 -71.1 -22.4 33.6 29.9 24.6 842 1087 A F G < 0 0 123 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.680 360.0 360.0 -58.1 -29.0 31.6 32.4 22.4 843 1088 A L < 0 0 211 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.464 360.0 360.0-139.2 360.0 34.5 33.4 20.2