==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-NOV-09 2WXH . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.BERNDT,S.MILLER,O.WILLIAMS,D.D.LEE,B.T.HOUSEMAN,J.I.PACOLD . 822 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 71.2 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 . 115 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 48 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 37.0 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 1 1 2 5 1 3 2 3 4 0 1 1 0 1 2 0 1 0 1 1 0 0 0 1 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 . 5 6 3 2 3 2 1 1 1 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 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 1 109 A V > 0 0 147 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.5 -7.2 7.9 6.2 2 110 A K H > + 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.833 360.0 50.8 -64.2 -37.5 -11.0 7.8 6.8 3 111 A K H > S+ 0 0 171 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.845 109.5 51.1 -64.7 -38.9 -11.6 5.6 3.8 4 112 A L H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 48.7 -64.6 -46.5 -8.9 3.1 4.9 5 113 A I H X S+ 0 0 28 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.888 109.3 52.8 -61.1 -43.8 -10.5 2.9 8.4 6 114 A N H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 11,-0.3 0.900 111.6 45.2 -58.7 -43.8 -14.0 2.3 7.0 7 115 A S H X S+ 0 0 68 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.863 111.6 53.2 -70.4 -35.5 -12.7 -0.6 4.9 8 116 A Q H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 110.1 47.7 -64.2 -41.4 -10.7 -2.0 7.9 9 117 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 6,-0.3 0.947 109.7 53.3 -62.2 -48.5 -13.9 -1.9 10.0 10 118 A S H X>S+ 0 0 26 -4,-2.3 4,-0.9 1,-0.2 5,-0.9 0.913 113.8 42.0 -52.2 -47.5 -15.9 -3.6 7.3 11 119 A L H <5S+ 0 0 120 -4,-2.1 3,-0.3 2,-0.2 -1,-0.2 0.919 115.6 49.6 -67.0 -44.7 -13.4 -6.4 7.0 12 120 A L H <5S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.5 40.9 -62.8 -45.6 -12.9 -6.7 10.8 13 121 A I H <5S- 0 0 0 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.615 106.7-122.4 -83.6 -9.8 -16.6 -6.9 11.7 14 122 A G T <5S+ 0 0 46 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.601 82.5 90.9 77.7 14.4 -17.6 -9.1 8.8 15 123 A K S > - 0 0 14 -2,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.525 17.0-137.7 -70.7 132.3 -19.6 -3.9 4.8 17 125 A L H >> S+ 0 0 10 -11,-0.3 4,-1.4 1,-0.3 3,-0.8 0.755 102.3 68.9 -63.3 -23.5 -20.5 -0.4 6.3 18 126 A H H 3> S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.761 89.6 64.6 -64.1 -26.5 -22.3 0.4 2.9 19 127 A E H <> S+ 0 0 82 -3,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.808 99.5 50.8 -68.2 -32.8 -24.8 -2.2 4.0 20 128 A F H X< S+ 0 0 0 -3,-0.8 3,-0.7 -4,-0.5 5,-0.4 0.910 111.8 48.0 -64.3 -44.6 -25.8 0.0 7.0 21 129 A D H >< S+ 0 0 90 -4,-1.4 3,-2.0 1,-0.2 -2,-0.2 0.897 103.0 62.0 -60.9 -42.9 -26.2 3.0 4.6 22 130 A S H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 91.3 67.2 -61.9 -22.8 -28.3 1.0 2.1 23 131 A L T << S- 0 0 87 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.701 82.7-156.6 -68.4 -22.2 -31.0 0.5 4.7 24 132 A R < + 0 0 213 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.812 36.5 157.0 43.9 37.7 -31.8 4.2 4.7 25 133 A D > - 0 0 38 -5,-0.4 4,-3.0 1,-0.1 3,-0.2 -0.840 41.6-152.2 -99.6 114.5 -33.2 3.5 8.3 26 134 A P H > S+ 0 0 74 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.842 97.1 53.6 -51.7 -40.4 -33.4 6.5 10.6 27 135 A E H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 112.5 43.4 -64.2 -43.2 -33.0 4.3 13.7 28 136 A V H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.955 115.0 50.5 -62.6 -48.9 -29.9 2.8 12.3 29 137 A N H X S+ 0 0 64 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.902 113.5 44.7 -55.7 -48.0 -28.7 6.2 11.2 30 138 A D H X S+ 0 0 68 -4,-3.3 4,-2.5 2,-0.2 5,-0.4 0.915 111.1 53.0 -64.9 -45.5 -29.3 7.7 14.6 31 139 A F H X S+ 0 0 4 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.961 110.4 49.4 -51.5 -53.3 -27.7 4.8 16.4 32 140 A R H X S+ 0 0 38 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.905 114.1 42.0 -56.0 -49.2 -24.6 5.2 14.3 33 141 A T H X S+ 0 0 93 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.932 117.3 45.4 -70.3 -43.9 -24.1 8.9 14.8 34 142 A K H X S+ 0 0 118 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.948 116.6 45.1 -61.1 -48.3 -24.9 9.0 18.6 35 143 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.4 5,-0.2 0.837 109.6 55.1 -71.0 -31.0 -22.7 6.0 19.4 36 144 A R H X S+ 0 0 76 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.926 110.7 46.6 -62.4 -43.5 -19.9 7.3 17.3 37 145 A Q H X S+ 0 0 108 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.944 112.7 49.0 -61.1 -51.5 -20.0 10.5 19.3 38 146 A F H X S+ 0 0 55 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.925 114.6 45.2 -52.8 -49.6 -20.1 8.6 22.6 39 147 A C H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.856 110.0 52.7 -68.8 -38.3 -17.2 6.4 21.6 40 148 A E H X S+ 0 0 79 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.849 107.0 53.5 -66.3 -34.3 -15.0 9.1 20.3 41 149 A E H X S+ 0 0 122 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.860 107.2 52.2 -65.4 -38.4 -15.4 11.1 23.5 42 150 A A H X S+ 0 0 28 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.903 107.3 52.0 -61.7 -44.3 -14.2 8.1 25.5 43 151 A A H X S+ 0 0 7 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.836 107.5 52.9 -60.5 -35.9 -11.1 7.8 23.2 44 152 A A H X S+ 0 0 60 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.935 109.0 48.3 -67.9 -46.9 -10.3 11.5 24.0 45 153 A H H >< S+ 0 0 123 -4,-2.0 3,-0.7 1,-0.2 4,-0.2 0.863 111.1 53.6 -54.0 -40.1 -10.5 10.9 27.7 46 154 A R H >< S+ 0 0 5 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.867 99.4 59.4 -69.2 -37.8 -8.3 7.8 27.3 47 155 A Q H 3< S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 108.2 45.7 -71.4 -12.6 -5.5 9.6 25.4 48 156 A Q T << S+ 0 0 152 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.336 82.5 130.1-110.1 6.3 -4.9 12.0 28.3 49 157 A L < - 0 0 22 -3,-1.3 -3,-0.1 -4,-0.2 114,-0.0 -0.243 65.5-108.5 -54.7 140.5 -5.0 9.4 31.1 50 158 A G > - 0 0 31 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.281 37.6-100.5 -61.4 162.1 -2.0 9.5 33.5 51 159 A W H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 122.9 48.1 -62.1 -36.7 0.4 6.6 33.1 52 160 A V H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 113.3 48.8 -68.0 -41.3 -0.9 4.6 36.1 53 161 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.835 108.6 54.2 -64.2 -34.6 -4.5 5.1 34.8 54 162 A W H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.922 107.2 50.2 -66.1 -44.7 -3.3 4.0 31.3 55 163 A L H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 -2,-0.2 0.923 109.2 52.3 -54.8 -45.8 -1.9 0.8 32.7 56 164 A Q H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.3 44.9 -59.5 -37.7 -5.2 0.2 34.5 57 165 A Y H < S+ 0 0 6 -4,-1.7 397,-2.5 2,-0.1 398,-0.4 0.938 125.8 28.0 -68.8 -51.4 -7.0 0.7 31.1 58 166 A S H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.844 134.4 26.3 -87.7 -34.7 -4.7 -1.5 28.9 59 167 A F S < S- 0 0 5 -4,-3.5 67,-0.3 -5,-0.3 -1,-0.2 -0.550 78.5-165.7-129.9 65.6 -3.3 -4.0 31.4 60 168 A P - 0 0 27 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.201 36.4 -91.5 -56.9 144.4 -5.9 -4.4 34.2 61 169 A L - 0 0 32 1,-0.1 2,-0.8 64,-0.1 66,-0.1 -0.258 28.0-143.5 -62.2 139.5 -4.6 -6.2 37.3 62 170 A Q + 0 0 33 64,-0.4 75,-2.6 -3,-0.1 76,-0.4 -0.876 33.1 173.9-105.8 99.7 -4.9 -10.0 37.5 63 171 A L B -A 136 0A 37 -2,-0.8 73,-0.2 73,-0.2 72,-0.1 -0.753 34.9-103.5-108.1 153.6 -5.6 -10.6 41.2 64 172 A E 0 0 65 71,-2.4 -1,-0.0 -2,-0.3 73,-0.0 -0.459 360.0 360.0 -68.8 144.6 -6.5 -13.7 43.1 65 173 A P 0 0 75 0, 0.0 -1,-0.1 0, 0.0 548,-0.0 0.018 360.0 360.0 -51.6 360.0 -10.2 -14.1 44.2 66 ! 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 67 187 A N 0 0 164 0, 0.0 2,-0.3 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -85.3 5.4 -14.7 55.9 68 188 A R - 0 0 127 1,-0.0 21,-3.0 2,-0.0 22,-0.4 -0.789 360.0-128.9-115.8 147.7 7.1 -16.7 53.1 69 189 A A E +B 88 0B 42 -2,-0.3 2,-0.3 19,-0.3 19,-0.3 -0.641 26.2 176.8 -93.3 148.1 10.3 -16.2 51.0 70 190 A L E -B 87 0B 11 17,-3.0 17,-2.9 -2,-0.2 2,-0.4 -0.996 28.3-121.9-150.3 148.5 10.6 -16.4 47.2 71 191 A L E -B 86 0B 87 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.753 30.3-178.2 -87.2 129.3 13.1 -16.0 44.4 72 192 A V E -B 85 0B 0 13,-2.7 13,-2.9 -2,-0.4 2,-0.5 -0.998 18.4-145.9-129.1 132.5 12.3 -13.4 41.7 73 193 A N E -Bc 84 150B 11 76,-3.1 78,-3.1 -2,-0.4 2,-0.4 -0.862 23.6-177.4 -93.2 128.3 14.4 -12.5 38.6 74 194 A V E +Bc 83 151B 0 9,-2.9 9,-3.1 -2,-0.5 2,-0.3 -0.991 8.7 166.8-130.2 138.8 14.2 -8.8 37.6 75 195 A K E -Bc 82 152B 32 76,-1.9 78,-3.0 -2,-0.4 2,-0.3 -0.787 33.9-106.9-133.3 178.0 15.7 -6.9 34.7 76 196 A F E > - c 0 153B 26 5,-0.6 3,-0.5 -2,-0.3 78,-0.1 -0.812 35.2-105.4-110.7 155.1 15.2 -3.5 33.2 77 197 A E T 3 S+ 0 0 106 76,-1.7 77,-0.1 -2,-0.3 -1,-0.1 0.772 111.9 41.5 -50.0 -37.8 13.5 -2.9 29.8 78 198 A G T 3 S+ 0 0 80 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.827 104.5 58.8 -82.3 -34.7 16.6 -2.1 27.8 79 199 A S < - 0 0 50 -3,-0.5 -3,-0.1 2,-0.2 -4,-0.0 -0.475 63.6-134.2-109.5 167.4 19.3 -4.6 28.9 80 200 A E S S+ 0 0 175 -2,-0.1 -1,-0.1 -5,-0.1 -3,-0.0 0.798 76.9 102.6 -79.7 -35.3 20.2 -8.4 29.1 81 201 A E + 0 0 130 -6,-0.0 -5,-0.6 1,-0.0 2,-0.3 -0.231 50.5 176.6 -57.7 134.3 21.5 -8.1 32.7 82 202 A S E -B 75 0B 58 -7,-0.2 2,-0.4 70,-0.0 -7,-0.2 -0.940 21.7-138.9-140.4 161.6 19.2 -9.3 35.4 83 203 A F E -B 74 0B 34 -9,-3.1 -9,-2.9 -2,-0.3 2,-0.7 -0.975 7.1-147.1-127.7 132.9 19.1 -9.8 39.2 84 204 A T E -B 73 0B 85 -2,-0.4 -11,-0.3 -11,-0.2 2,-0.3 -0.876 26.9-173.4-104.0 107.2 17.7 -12.7 41.2 85 205 A F E -B 72 0B 19 -13,-2.9 -13,-2.7 -2,-0.7 2,-0.6 -0.658 26.0-135.4 -97.7 150.9 16.4 -11.5 44.5 86 206 A Q E +B 71 0B 151 -2,-0.3 2,-0.2 -15,-0.2 -15,-0.2 -0.939 42.4 156.0 -95.3 123.2 15.0 -13.2 47.6 87 207 A V E -B 70 0B 12 -17,-2.9 -17,-3.0 -2,-0.6 2,-0.3 -0.735 39.6 -98.4-130.0-175.0 11.9 -11.4 48.7 88 208 A S E > -B 69 0B 11 -19,-0.3 3,-1.1 -2,-0.2 45,-0.3 -0.838 18.3-128.1-109.3 150.2 8.7 -12.2 50.7 89 209 A T T 3 S+ 0 0 10 -21,-3.0 45,-2.0 -2,-0.3 46,-0.2 0.696 114.7 56.6 -62.0 -18.6 5.3 -13.2 49.4 90 210 A K T 3 S+ 0 0 126 -22,-0.4 -1,-0.2 42,-0.2 -21,-0.1 0.636 84.7 107.1 -87.9 -18.9 4.1 -10.4 51.7 91 211 A D S < S- 0 0 49 -3,-1.1 42,-2.5 41,-0.1 43,-0.2 -0.274 70.2-122.3 -60.6 146.0 6.3 -7.7 50.1 92 212 A M >> - 0 0 70 40,-0.2 4,-1.4 41,-0.1 3,-0.6 -0.498 24.9-110.8 -78.9 158.3 4.7 -5.0 48.0 93 213 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.835 117.8 62.2 -56.3 -35.3 5.8 -4.5 44.3 94 214 A L H 3> S+ 0 0 73 35,-0.3 4,-1.8 1,-0.2 5,-0.1 0.849 100.9 50.5 -60.4 -40.0 7.4 -1.2 45.4 95 215 A A H <> S+ 0 0 40 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.891 111.3 48.6 -65.2 -41.7 9.8 -2.9 47.7 96 216 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.893 111.4 49.4 -64.4 -41.9 10.8 -5.3 44.9 97 217 A M H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.813 107.9 56.5 -66.4 -32.8 11.3 -2.3 42.6 98 218 A A H X S+ 0 0 24 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.945 107.4 46.1 -61.3 -52.7 13.4 -0.7 45.3 99 219 A C H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 112.4 53.1 -54.9 -48.0 15.8 -3.7 45.5 100 220 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.3 44.1 -53.2 -49.3 16.0 -3.6 41.7 101 221 A L H X S+ 0 0 26 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.842 112.1 52.1 -71.2 -34.7 16.9 0.1 41.5 102 222 A R H X S+ 0 0 152 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.925 111.6 48.2 -63.1 -43.3 19.4 -0.2 44.3 103 223 A K H X S+ 0 0 111 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.910 110.4 49.5 -65.0 -45.7 21.1 -3.1 42.5 104 224 A K H X S+ 0 0 69 -4,-2.3 4,-3.2 1,-0.2 6,-0.3 0.855 107.0 58.0 -59.9 -37.0 21.2 -1.3 39.2 105 225 A A H <>S+ 0 0 23 -4,-1.7 5,-1.6 2,-0.2 -1,-0.2 0.836 108.5 44.3 -63.6 -36.2 22.8 1.7 40.9 106 226 A T H ><5S+ 0 0 86 -4,-1.3 3,-1.0 -3,-0.4 -2,-0.2 0.937 119.7 39.7 -76.4 -48.1 25.7 -0.3 42.2 107 227 A V H 3<5S+ 0 0 91 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.942 122.0 44.5 -63.1 -48.6 26.4 -2.2 39.0 108 228 A F T 3<5S- 0 0 167 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.271 117.8-111.4 -96.4 44.1 25.8 0.9 36.9 109 229 A R T < 5 0 0 211 -3,-1.0 -3,-0.2 -2,-0.3 -4,-0.1 0.373 360.0 360.0 50.3 11.0 27.8 3.2 39.3 110 230 A Q < 0 0 207 -5,-1.6 -1,-0.2 -6,-0.3 -5,-0.1 0.976 360.0 360.0 57.7 360.0 24.9 5.3 40.8 111 ! 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 0.0 112 235 A Q > 0 0 155 0, 0.0 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-10.0 53.7 329 513 A E H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.887 108.6 62.2 -68.4 -40.2 -43.3 -11.3 54.9 330 514 A I H 4 S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.738 115.2 33.7 -62.7 -25.4 -44.4 -15.0 55.2 331 515 A L H < S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.4 -1,-0.3 0.692 101.6 85.3 -94.1 -25.4 -45.1 -15.1 51.5 332 516 A E < 0 0 17 -4,-1.4 -1,-0.1 1,-0.2 -2,-0.0 -0.465 360.0 360.0 -88.0 68.5 -42.3 -12.8 50.5 333 517 A R 0 0 196 -2,-1.8 -1,-0.2 -3,-0.1 -2,-0.1 0.161 360.0 360.0-175.7 360.0 -39.3 -15.1 50.3 334 ! 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 0.0 335 522 A E 0 0 250 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 -45.4 -17.9 42.4 336 523 A L - 0 0 38 1,-0.0 5,-0.0 2,-0.0 -5,-0.0 -0.954 360.0-102.7-138.5 149.8 -48.3 -16.5 44.5 337 524 A Y > - 0 0 173 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.162 39.6-103.3 -70.4 165.2 -52.1 -16.6 44.6 338 525 A E H > S+ 0 0 130 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.852 121.9 48.6 -62.7 -39.0 -54.3 -13.8 43.4 339 526 A H H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.842 110.5 52.8 -68.7 -32.7 -55.2 -12.5 46.9 340 527 A E H > S+ 0 0 37 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.927 108.7 50.1 -65.0 -44.7 -51.4 -12.6 47.8 341 528 A K H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.888 108.6 52.9 -57.0 -43.8 -50.8 -10.5 44.6 342 529 A D H X S+ 0 0 95 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.870 107.8 50.6 -61.4 -40.2 -53.4 -8.0 45.7 343 530 A L H X S+ 0 0 58 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.917 109.7 50.2 -64.0 -46.7 -51.8 -7.6 49.2 344 531 A V H < S+ 0 0 0 -4,-2.1 7,-0.2 2,-0.2 -2,-0.2 0.908 114.2 44.2 -58.1 -45.5 -48.4 -6.9 47.6 345 532 A W H >< S+ 0 0 42 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.905 112.8 52.0 -68.5 -42.3 -49.8 -4.3 45.3 346 533 A K H 3< S+ 0 0 148 -4,-2.6 3,-0.4 1,-0.3 -2,-0.2 0.888 114.8 43.5 -55.1 -41.6 -51.9 -2.8 48.2 347 534 A M T >X S+ 0 0 55 -4,-2.6 4,-2.1 1,-0.2 3,-1.0 0.173 75.3 124.2 -95.2 20.1 -48.7 -2.6 50.2 348 535 A R H <> S+ 0 0 36 -3,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.795 72.9 53.7 -52.1 -37.4 -46.5 -1.3 47.4 349 536 A H H 3> S+ 0 0 83 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.871 110.8 46.2 -64.2 -38.3 -45.4 1.8 49.5 350 537 A E H <>>S+ 0 0 73 -3,-1.0 4,-2.5 2,-0.2 5,-0.7 0.809 107.5 58.3 -73.9 -32.0 -44.3 -0.5 52.3 351 538 A V H X5S+ 0 0 0 -4,-2.1 4,-2.4 -7,-0.2 7,-0.3 0.972 111.3 41.9 -57.9 -53.6 -42.5 -2.7 49.8 352 539 A Q H <5S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.4 41.2 -57.9 -50.8 -40.5 0.3 48.7 353 540 A E H <5S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.818 134.3 15.6 -72.8 -30.9 -39.8 1.6 52.3 354 541 A H H <5S+ 0 0 121 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.622 132.5 34.5-122.2 -20.6 -39.2 -1.7 54.0 355 542 A F ><< + 0 0 57 -4,-2.4 3,-2.6 -5,-0.7 -2,-0.1 -0.359 60.3 155.1-133.5 54.0 -38.5 -4.4 51.4 356 543 A P G > S+ 0 0 38 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.801 72.4 62.1 -54.9 -30.2 -36.7 -2.6 48.6 357 544 A E G 3 S+ 0 0 128 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.531 90.4 70.0 -75.2 -2.1 -35.0 -5.8 47.4 358 545 A A G <> + 0 0 13 -3,-2.6 4,-1.8 -7,-0.3 3,-0.3 0.174 62.3 115.9 -97.3 17.0 -38.5 -7.2 46.6 359 546 A L H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.864 71.1 55.2 -49.3 -46.3 -38.9 -4.8 43.7 360 547 A A H > S+ 0 0 9 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.908 106.0 51.1 -58.1 -44.6 -39.1 -7.7 41.1 361 548 A R H > S+ 0 0 79 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.904 111.2 48.0 -60.6 -43.9 -42.0 -9.4 43.0 362 549 A L H >X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 3,-0.6 0.856 109.1 54.4 -63.9 -36.9 -43.9 -6.2 43.0 363 550 A L H 3< S+ 0 0 1 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.874 105.2 53.2 -63.9 -37.4 -43.2 -5.7 39.3 364 551 A L H 3< S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.606 110.6 48.0 -76.1 -12.5 -44.6 -9.2 38.5 365 552 A V H << S+ 0 0 19 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.608 89.1 101.4 -98.9 -16.5 -47.9 -8.3 40.3 366 553 A T S < S- 0 0 9 -4,-1.0 2,-1.1 -3,-0.3 3,-0.1 -0.372 79.5-116.1 -72.3 149.8 -48.5 -4.9 38.7 367 554 A K > + 0 0 98 1,-0.2 3,-1.4 3,-0.1 7,-0.3 -0.723 31.2 179.7 -88.3 96.7 -51.0 -4.6 35.9 368 555 A W T 3 S+ 0 0 33 -2,-1.1 -1,-0.2 1,-0.3 -162,-0.1 0.631 79.5 63.9 -71.8 -14.5 -49.0 -3.6 32.9 369 556 A N T 3 S+ 0 0 32 -164,-0.1 2,-0.4 -133,-0.1 -1,-0.3 0.145 93.4 70.1 -94.6 14.1 -52.2 -3.6 30.8 370 557 A K <> - 0 0 99 -3,-1.4 4,-1.9 1,-0.1 3,-0.3 -0.956 69.3-157.0-132.0 115.4 -53.6 -0.7 32.9 371 558 A H H > S+ 0 0 51 -2,-0.4 4,-2.6 1,-0.2 5,-0.1 0.835 92.5 57.0 -64.8 -34.9 -52.0 2.6 32.4 372 559 A E H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 108.9 46.7 -57.4 -47.3 -53.1 4.0 35.8 373 560 A D H > S+ 0 0 36 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.845 110.8 51.7 -65.3 -38.6 -51.4 1.1 37.6 374 561 A V H X S+ 0 0 9 -4,-1.9 4,-2.7 -7,-0.3 -2,-0.2 0.914 108.1 52.7 -63.7 -43.6 -48.2 1.5 35.5 375 562 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.936 109.9 48.2 -55.3 -48.7 -48.1 5.2 36.5 376 563 A Q H X S+ 0 0 61 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.849 113.0 48.3 -61.4 -36.8 -48.4 4.2 40.2 377 564 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.922 110.3 50.5 -69.7 -45.6 -45.6 1.7 39.8 378 565 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.851 104.5 57.8 -60.5 -39.7 -43.2 4.1 37.9 379 566 A Y H < S+ 0 0 133 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.883 111.1 42.8 -60.0 -40.6 -43.7 6.8 40.6 380 567 A L H >< S+ 0 0 2 -4,-1.1 3,-0.9 1,-0.2 -1,-0.2 0.870 111.1 56.7 -70.3 -37.6 -42.4 4.4 43.2 381 568 A L H >< S+ 0 0 7 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.849 99.6 58.7 -62.8 -36.9 -39.6 3.2 40.9 382 569 A C T 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.663 113.1 38.2 -71.8 -16.6 -38.3 6.7 40.4 383 570 A S T < S+ 0 0 70 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.264 89.7 126.2-110.1 10.3 -37.6 7.0 44.2 384 571 A W < - 0 0 10 -3,-1.2 3,-0.1 -4,-0.2 -3,-0.1 -0.470 63.4-118.0 -74.4 131.6 -36.5 3.4 44.6 385 572 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.380 39.2 -91.2 -65.4 150.1 -33.1 2.9 46.3 386 573 A E - 0 0 105 1,-0.1 23,-0.1 25,-0.1 -29,-0.0 -0.268 46.5-139.5 -55.7 146.6 -30.4 1.2 44.2 387 574 A L - 0 0 6 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 -0.687 23.3 -83.7-109.6 161.3 -30.3 -2.6 44.7 388 575 A P > - 0 0 52 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.189 42.9-108.6 -57.8 155.4 -27.5 -5.1 45.0 389 576 A V H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 119.5 58.1 -51.8 -44.7 -25.8 -6.4 41.8 390 577 A L H > S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.918 108.8 45.2 -54.2 -46.7 -27.5 -9.8 42.4 391 578 A S H > S+ 0 0 19 -3,-0.2 4,-1.5 1,-0.2 3,-0.3 0.882 109.1 55.0 -64.6 -42.2 -30.9 -8.2 42.3 392 579 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.841 101.6 59.0 -62.6 -30.9 -30.1 -6.1 39.3 393 580 A L H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.886 103.3 52.1 -66.5 -35.9 -29.2 -9.2 37.3 394 581 A E H >< S+ 0 0 73 -4,-1.1 3,-1.7 -3,-0.3 -1,-0.2 0.897 103.8 58.5 -63.2 -39.3 -32.7 -10.6 37.9 395 582 A L H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.623 92.4 67.4 -70.5 -14.3 -34.2 -7.4 36.5 396 583 A L T << S+ 0 0 16 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.492 78.8 114.1 -80.9 -5.5 -32.4 -7.8 33.2 397 584 A D S X S- 0 0 27 -3,-1.7 3,-2.1 -4,-0.1 388,-0.1 -0.330 85.0-113.2 -65.0 149.8 -34.6 -10.8 32.6 398 585 A F T 3 S+ 0 0 13 1,-0.3 -195,-0.2 386,-0.2 -1,-0.1 0.670 111.8 77.9 -57.2 -18.1 -37.2 -10.6 29.7 399 586 A S T 3 S+ 0 0 35 1,-0.2 -1,-0.3 -5,-0.2 -195,-0.1 0.515 92.2 55.4 -65.9 -6.1 -39.9 -10.7 32.5 400 587 A F < + 0 0 16 -3,-2.1 -1,-0.2 1,-0.1 -198,-0.1 -0.573 63.7 155.3-130.5 70.5 -39.1 -7.1 33.0 401 588 A P + 0 0 34 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 0.662 32.5 113.1 -75.3 -20.2 -39.5 -5.4 29.6 402 589 A D > - 0 0 4 1,-0.1 4,-2.6 -201,-0.1 5,-0.2 -0.240 65.2-136.2 -62.4 140.6 -40.2 -1.8 30.7 403 590 A C H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.791 104.1 52.6 -70.4 -29.4 -37.6 0.8 29.8 404 591 A Y H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.909 111.5 47.4 -68.8 -42.4 -37.6 2.5 33.2 405 592 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.936 112.6 49.3 -59.6 -45.6 -37.1 -0.9 34.9 406 593 A G H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.870 112.4 48.4 -62.7 -36.1 -34.3 -1.7 32.4 407 594 A S H X S+ 0 0 51 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.882 110.3 50.3 -71.7 -42.3 -32.8 1.7 33.2 408 595 A F H X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.912 109.0 54.3 -54.9 -46.1 -33.1 1.1 36.9 409 596 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.944 109.4 45.4 -56.3 -52.3 -31.4 -2.3 36.4 410 597 A I H >X S+ 0 0 3 -4,-2.0 4,-0.9 1,-0.2 3,-0.6 0.913 108.8 57.2 -58.5 -45.3 -28.3 -0.8 34.6 411 598 A K H >< S+ 0 0 94 -4,-2.2 3,-0.7 1,-0.3 4,-0.3 0.892 109.2 45.2 -54.3 -42.5 -28.1 2.0 37.3 412 599 A S H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 -1,-0.3 0.720 110.8 55.8 -72.3 -19.7 -27.8 -0.7 40.0 413 600 A L H X< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.6 -1,-0.2 0.546 81.3 86.5 -89.6 -8.4 -25.2 -2.6 37.8 414 601 A R T << S+ 0 0 122 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 0.772 80.5 64.3 -63.8 -24.8 -22.9 0.4 37.4 415 602 A K T < S+ 0 0 94 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.473 74.5 123.5 -78.0 -1.2 -21.2 -0.7 40.7 416 603 A L < - 0 0 6 -3,-1.9 2,-0.1 4,-0.1 -3,-0.0 -0.389 64.3-127.5 -53.5 131.2 -20.1 -3.9 39.0 417 604 A T > - 0 0 76 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.396 23.5-110.6 -70.6 159.0 -16.3 -4.3 39.3 418 605 A D H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.892 122.1 55.5 -58.2 -34.7 -14.5 -4.9 36.0 419 606 A D H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 111.1 43.1 -65.1 -43.7 -13.8 -8.4 37.4 420 607 A E H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.3 52.7 -64.7 -46.7 -17.5 -9.0 38.0 421 608 A L H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.926 109.9 49.5 -55.6 -47.5 -18.5 -7.5 34.6 422 609 A F H >< S+ 0 0 49 -4,-2.7 3,-1.3 -5,-0.2 4,-0.4 0.947 108.0 53.5 -57.7 -46.6 -16.1 -9.8 33.0 423 610 A Q H 3< S+ 0 0 29 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.863 120.0 33.8 -56.9 -34.7 -17.5 -12.9 34.9 424 611 A Y H 3X S+ 0 0 20 -4,-2.2 4,-2.0 1,-0.2 3,-0.4 0.333 86.7 106.4-104.0 8.9 -21.0 -12.0 33.6 425 612 A L H S+ 0 0 4 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.918 110.9 44.3 -54.6 -44.9 -21.4 -13.5 28.2 427 614 A Q H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.890 110.4 53.4 -71.5 -39.9 -24.9 -13.2 29.7 428 615 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.870 108.7 50.3 -62.6 -37.3 -25.1 -9.4 29.3 429 616 A V H >< S+ 0 0 0 -4,-2.5 3,-1.1 -5,-0.2 4,-0.4 0.923 108.1 53.7 -64.4 -41.8 -24.3 -9.8 25.6 430 617 A Q H >< S+ 0 0 8 -4,-1.8 3,-1.8 1,-0.2 4,-0.2 0.889 99.2 62.8 -60.1 -36.8 -27.0 -12.4 25.3 431 618 A V H >< S+ 0 0 2 -4,-2.0 3,-2.0 1,-0.3 4,-0.5 0.760 85.5 74.4 -60.3 -23.4 -29.5 -9.9 26.9 432 619 A L G X< S+ 0 0 1 -3,-1.1 3,-1.4 -4,-0.7 -1,-0.3 0.838 85.3 66.4 -56.8 -29.8 -29.0 -7.6 23.9 433 620 A K G < S+ 0 0 33 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.676 97.1 53.6 -65.9 -18.4 -31.1 -10.2 22.0 434 621 A Y G < S+ 0 0 34 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.532 84.6 116.0 -89.6 -12.1 -34.1 -9.1 24.2 435 622 A E < - 0 0 50 -3,-1.4 -144,-0.4 -4,-0.5 3,-0.1 -0.336 52.0-158.9 -66.3 143.0 -33.7 -5.4 23.3 436 623 A S S S+ 0 0 20 -35,-0.1 2,-0.3 -146,-0.1 -175,-0.2 0.708 74.5 34.5 -93.5 -27.7 -36.5 -3.7 21.5 437 624 A Y S S- 0 0 28 1,-0.1 -1,-0.1 -173,-0.1 -173,-0.0 -0.879 74.4-125.7-130.9 160.4 -34.5 -0.8 20.1 438 625 A L S S+ 0 0 3 -2,-0.3 2,-0.8 1,-0.1 5,-0.1 0.927 100.3 58.7 -73.4 -46.0 -31.0 -0.3 18.8 439 626 A D S S+ 0 0 79 4,-0.1 2,-0.3 -412,-0.1 -1,-0.1 -0.776 78.6 146.5 -85.7 107.6 -30.1 2.6 21.1 440 627 A C > - 0 0 15 -2,-0.8 4,-2.0 1,-0.1 5,-0.2 -0.948 60.7-107.4-144.3 162.1 -30.6 1.3 24.6 441 628 A E H > S+ 0 0 84 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.846 115.0 53.8 -60.3 -38.5 -29.1 1.6 28.1 442 629 A L H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.924 108.4 48.7 -65.1 -43.5 -27.4 -1.8 28.1 443 630 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 113.2 47.6 -62.0 -44.4 -25.5 -1.2 24.8 444 631 A K H X S+ 0 0 53 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.928 112.8 49.6 -61.3 -46.0 -24.3 2.2 26.1 445 632 A F H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 113.5 44.9 -54.5 -50.8 -23.3 0.6 29.4 446 633 A L H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.910 114.0 48.6 -66.2 -42.9 -21.3 -2.2 27.7 447 634 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.916 112.2 49.6 -64.1 -44.3 -19.7 0.1 25.1 448 635 A G H X S+ 0 0 23 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.912 113.7 44.8 -58.1 -47.5 -18.6 2.5 27.9 449 636 A R H X S+ 0 0 39 -4,-2.4 4,-0.6 1,-0.2 8,-0.2 0.896 113.0 52.3 -65.8 -38.9 -17.2 -0.2 30.1 450 637 A A H < S+ 0 0 0 -4,-2.5 7,-0.6 1,-0.2 3,-0.4 0.844 108.9 49.0 -64.4 -37.5 -15.4 -1.7 27.0 451 638 A L H < S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.729 112.6 49.1 -77.1 -20.3 -13.8 1.6 26.1 452 639 A A H < S+ 0 0 64 -4,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.521 118.6 37.2 -93.1 -7.3 -12.6 2.0 29.7 453 640 A N X - 0 0 4 -4,-0.6 4,-2.3 -3,-0.4 -1,-0.2 -0.892 65.9-157.3-150.8 110.2 -11.1 -1.5 30.0 454 641 A R H > S+ 0 0 14 -397,-2.5 4,-2.1 -2,-0.3 -396,-0.1 0.763 94.0 56.8 -69.5 -23.3 -9.3 -3.0 27.0 455 642 A K H > S+ 0 0 38 -398,-0.4 4,-2.2 2,-0.2 5,-0.2 0.950 110.2 45.2 -67.7 -47.2 -9.8 -6.7 28.3 456 643 A I H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.915 112.4 52.8 -59.0 -41.3 -13.6 -6.0 28.4 457 644 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -7,-0.6 -1,-0.2 0.903 107.9 51.5 -60.7 -41.2 -13.3 -4.4 25.0 458 645 A H H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.954 115.0 39.4 -62.4 -52.5 -11.5 -7.5 23.6 459 646 A F H X S+ 0 0 16 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.851 112.8 55.3 -73.1 -32.4 -14.1 -10.1 24.9 460 647 A L H X S+ 0 0 3 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.955 108.6 51.0 -61.8 -46.4 -17.1 -7.9 24.0 461 648 A F H X S+ 0 0 4 -4,-2.3 4,-3.4 -5,-0.3 -2,-0.2 0.941 112.6 43.9 -51.8 -54.6 -15.7 -7.7 20.5 462 649 A W H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.869 109.6 55.3 -66.6 -36.4 -15.4 -11.5 20.1 463 650 A H H < S+ 0 0 5 -4,-2.7 -1,-0.2 2,-0.2 4,-0.2 0.912 116.7 39.0 -59.1 -40.3 -18.8 -12.2 21.7 464 651 A L H >< S+ 0 0 2 -4,-2.2 3,-1.6 -5,-0.2 4,-0.2 0.934 115.2 51.0 -74.6 -44.6 -20.3 -10.0 19.1 465 652 A R H >< S+ 0 0 62 -4,-3.4 3,-1.7 1,-0.3 4,-0.2 0.882 101.5 63.1 -59.6 -37.7 -18.1 -11.0 16.1 466 653 A S T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 164,-0.3 168,-0.2 0.558 104.8 47.4 -69.7 -10.3 -18.8 -14.7 16.8 467 654 A E T X S+ 0 0 10 -3,-1.6 3,-2.2 -4,-0.2 6,-0.3 0.302 73.3 107.3-113.8 11.8 -22.5 -14.2 16.0 468 655 A M T < S+ 0 0 19 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.761 74.3 63.3 -62.3 -22.5 -22.3 -12.2 12.8 469 656 A H T 3 S+ 0 0 85 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.440 83.3 90.6 -79.0 -0.1 -23.5 -15.3 10.8 470 657 A V X> - 0 0 37 -3,-2.2 3,-2.0 1,-0.2 4,-1.5 -0.860 68.5-155.7-100.5 104.4 -26.8 -15.2 12.7 471 658 A P H 3> S+ 0 0 81 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.793 87.5 63.8 -54.1 -31.8 -29.2 -13.0 10.6 472 659 A S H 34 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.1 -180,-0.1 0.739 119.1 22.2 -67.3 -22.8 -31.3 -12.0 13.7 473 660 A V H <> S+ 0 0 6 -3,-2.0 4,-3.0 -6,-0.3 5,-0.4 0.494 93.0 98.0-120.9 -7.2 -28.4 -10.2 15.4 474 661 A A H X S+ 0 0 13 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.878 88.2 46.8 -55.8 -42.8 -26.0 -9.3 12.6 475 662 A L H X S+ 0 0 28 -4,-0.6 4,-2.5 2,-0.2 5,-0.2 0.983 116.3 42.1 -61.4 -60.5 -27.3 -5.7 12.3 476 663 A R H > S+ 0 0 25 1,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.923 119.9 43.3 -52.7 -50.0 -27.3 -4.9 16.0 477 664 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.903 112.1 53.2 -69.8 -40.4 -23.9 -6.6 16.7 478 665 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.4 -1,-0.2 0.917 109.4 49.6 -54.6 -46.0 -22.3 -5.1 13.6 479 666 A L H X S+ 0 0 1 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0 71 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.301 43.3-110.3 -71.5 159.9 -1.9 -40.9 6.0 521 708 A K H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 118.4 53.6 -58.1 -44.4 -1.6 -38.6 9.0 522 709 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.917 112.0 46.0 -55.8 -45.5 2.2 -38.4 8.8 523 710 A Q H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 114.0 46.8 -63.9 -46.9 1.9 -37.3 5.1 524 711 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.866 110.1 54.7 -61.2 -38.0 -0.9 -34.7 5.8 525 712 A K H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 107.8 48.8 -65.8 -42.3 1.2 -33.4 8.8 526 713 A E H X S+ 0 0 129 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.898 112.1 48.9 -60.8 -41.3 4.1 -32.8 6.5 527 714 A M H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.886 108.6 54.3 -64.2 -40.5 1.8 -31.0 4.0 528 715 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 108.4 49.1 -56.4 -46.6 0.4 -28.9 6.9 529 716 A H H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.903 109.8 50.5 -63.7 -42.8 3.9 -27.8 7.8 530 717 A M H < S+ 0 0 119 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4,-2.1 2,-0.2 -2,-0.2 0.921 108.9 51.3 -56.6 -46.9 -12.3 -36.3 49.8 762 957 A R H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 107.5 54.3 -57.6 -42.0 -16.0 -36.6 50.8 763 958 A G H X S+ 0 0 29 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.921 106.7 50.8 -57.1 -44.5 -15.5 -33.5 53.0 764 959 A Y H X S+ 0 0 21 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.937 110.7 48.9 -59.8 -46.6 -14.2 -31.5 50.0 765 960 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.914 112.7 47.4 -56.8 -47.0 -17.2 -32.5 47.9 766 961 A E H X S+ 0 0 25 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.929 112.2 49.1 -65.8 -45.2 -19.6 -31.5 50.6 767 962 A R H X S+ 0 0 106 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.920 113.0 47.4 -54.7 -48.5 -17.9 -28.1 51.3 768 963 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.916 113.6 48.9 -61.0 -44.7 -17.8 -27.3 47.5 769 964 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.914 110.7 48.7 -63.3 -44.4 -21.5 -28.3 47.3 770 965 A T H X S+ 0 0 13 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.874 109.6 52.8 -67.4 -36.8 -22.6 -26.2 50.3 771 966 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 3,-0.3 0.915 108.3 50.4 -62.0 -45.1 -20.7 -23.1 49.0 772 967 A L H >< S+ 0 0 1 -4,-1.9 3,-1.4 1,-0.2 7,-0.2 0.915 105.6 56.5 -60.0 -45.2 -22.5 -23.3 45.6 773 968 A R H >< S+ 0 0 25 -4,-2.0 3,-1.6 1,-0.3 4,-0.3 0.837 100.1 59.1 -51.7 -39.8 -25.9 -23.6 47.3 774 969 A R H 3< S+ 0 0 134 -4,-1.3 -1,-0.3 -3,-0.3 3,-0.2 0.751 111.7 40.5 -65.1 -23.5 -25.2 -20.3 49.1 775 970 A H T XX S+ 0 0 53 -3,-1.4 4,-1.6 -4,-0.7 3,-0.9 0.070 80.4 122.2-107.7 21.1 -24.8 -18.7 45.6 776 971 A G H <> + 0 0 1 -3,-1.6 4,-2.4 1,-0.3 5,-0.2 0.875 69.7 55.0 -51.8 -45.6 -27.7 -20.6 44.1 777 972 A L H 3> S+ 0 0 94 -4,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.815 103.5 55.9 -60.4 -33.8 -29.6 -17.4 43.2 778 973 A L H <> S+ 0 0 12 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.937 109.1 45.6 -64.8 -48.2 -26.6 -16.2 41.2 779 974 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 -7,-0.2 5,-0.2 0.928 114.0 50.1 -58.6 -45.2 -26.5 -19.3 39.0 780 975 A L H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.904 112.0 46.7 -60.7 -43.8 -30.3 -19.2 38.6 781 976 A H H X S+ 0 0 21 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.918 114.1 48.5 -64.5 -42.7 -30.2 -15.5 37.5 782 977 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.932 112.3 46.7 -65.0 -45.4 -27.3 -16.1 35.1 783 978 A F H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.878 108.0 58.1 -64.2 -36.2 -28.9 -19.2 33.5 784 979 A A H >< S+ 0 0 22 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.904 108.5 45.3 -58.0 -42.4 -32.2 -17.2 33.2 785 980 A L H >< S+ 0 0 1 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.864 104.9 63.1 -68.3 -33.7 -30.4 -14.6 31.1 786 981 A M H >< S+ 0 0 4 -4,-1.8 3,-1.9 1,-0.3 5,-0.4 0.628 80.8 80.5 -68.1 -18.7 -28.7 -17.3 29.1 787 982 A R G X< S+ 0 0 90 -4,-0.8 3,-0.9 -3,-0.7 -1,-0.3 0.714 80.8 69.4 -58.0 -21.3 -32.0 -18.4 27.8 788 983 A A G < S+ 0 0 14 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.717 84.4 71.7 -66.6 -21.0 -31.6 -15.5 25.4 789 984 A A G < S- 0 0 6 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.626 97.9-128.5 -78.5 -16.1 -28.8 -17.4 23.6 790 985 A G < + 0 0 53 -3,-0.9 -3,-0.1 4,-0.3 5,-0.1 0.723 43.9 166.3 73.1 23.9 -31.0 -20.0 21.9 791 986 A L > - 0 0 4 -5,-0.4 3,-1.7 3,-0.4 -1,-0.2 -0.551 38.5-136.5 -67.4 130.1 -28.9 -23.0 23.1 792 987 A P T 3 S+ 0 0 96 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.721 104.0 52.6 -65.7 -16.6 -31.0 -26.1 22.5 793 988 A E T 3 S+ 0 0 29 1,-0.2 -62,-0.2 2,-0.1 2,-0.2 0.344 111.2 47.1-100.0 8.1 -30.0 -27.5 25.9 794 989 A L S < S+ 0 0 1 -3,-1.7 -3,-0.4 -8,-0.1 -4,-0.3 -0.654 75.5 118.4-142.2 81.6 -31.2 -24.3 27.7 795 990 A S + 0 0 71 -3,-0.3 2,-0.2 -2,-0.2 -2,-0.1 0.534 67.6 9.9-126.0 -16.9 -34.6 -23.6 26.2 796 991 A C S >> S- 0 0 52 -3,-0.1 4,-1.1 1,-0.0 3,-0.6 -0.849 83.7 -77.9-155.4-174.4 -37.3 -23.7 28.9 797 992 A S H 3> S+ 0 0 79 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.827 117.0 67.3 -67.8 -35.6 -38.2 -23.8 32.6 798 993 A K H 3> S+ 0 0 145 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 101.3 50.0 -52.5 -36.2 -37.5 -27.5 32.8 799 994 A D H <> S+ 0 0 12 -3,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.900 111.3 45.8 -71.4 -43.5 -33.8 -26.7 32.2 800 995 A I H X S+ 0 0 22 -4,-1.1 4,-1.8 1,-0.2 3,-0.5 0.870 108.3 59.5 -62.3 -39.3 -33.8 -24.0 35.0 801 996 A Q H X S+ 0 0 65 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.822 95.0 64.0 -58.5 -34.5 -35.6 -26.5 37.2 802 997 A Y H X S+ 0 0 20 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.908 104.8 44.6 -56.2 -45.9 -32.7 -28.9 36.7 803 998 A L H X S+ 0 0 1 -4,-0.9 4,-2.3 -3,-0.5 -2,-0.2 0.881 109.9 55.1 -65.7 -43.7 -30.4 -26.5 38.6 804 999 A K H <>S+ 0 0 86 -4,-1.8 5,-1.9 1,-0.2 6,-0.3 0.914 113.4 42.4 -52.3 -48.9 -33.0 -25.9 41.3 805 1000 A D H ><5S+ 0 0 81 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.902 112.2 52.5 -67.6 -44.4 -33.1 -29.6 42.0 806 1001 A S H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.858 116.5 38.9 -65.4 -35.0 -29.3 -30.2 41.8 807 1002 A L T 3<5S- 0 0 1 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.386 101.9-138.8 -91.1 3.0 -28.6 -27.4 44.3 808 1003 A A T X 5 + 0 0 6 -3,-1.0 3,-1.3 -5,-0.2 -3,-0.2 0.876 36.1 170.9 39.1 54.8 -31.7 -28.5 46.3 809 1004 A L T 3 < + 0 0 52 -5,-1.9 -1,-0.1 1,-0.3 -4,-0.1 0.710 63.3 66.5 -71.5 -22.0 -32.5 -24.9 46.9 810 1005 A G T 3 S+ 0 0 86 -6,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.333 95.6 77.9 -78.7 8.4 -35.9 -25.4 48.4 811 1006 A K S < S- 0 0 82 -3,-1.3 2,-0.1 1,-0.1 3,-0.0 -0.653 85.6-104.8-112.5 167.4 -34.3 -27.1 51.4 812 1007 A T > - 0 0 79 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.428 45.0-104.2 -73.6 165.4 -32.4 -26.1 54.6 813 1008 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.887 123.2 53.5 -60.6 -35.7 -28.7 -26.7 54.4 814 1009 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 110.7 43.7 -66.2 -47.2 -29.2 -29.7 56.7 815 1010 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.957 113.0 53.0 -59.5 -51.3 -31.8 -31.3 54.4 816 1011 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.860 109.3 48.9 -52.9 -41.3 -29.8 -30.5 51.3 817 1012 A L H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.852 109.3 50.7 -72.6 -36.0 -26.6 -32.2 52.7 818 1013 A K H X S+ 0 0 139 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.935 113.3 47.8 -61.1 -47.3 -28.5 -35.4 53.7 819 1014 A H H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.952 111.8 48.2 -55.5 -56.6 -29.8 -35.5 50.2 820 1015 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.866 109.2 56.4 -52.0 -39.3 -26.4 -34.9 48.7 821 1016 A R H X S+ 0 0 92 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.884 103.7 50.8 -64.7 -40.4 -25.1 -37.6 51.0 822 1017 A V H X S+ 0 0 57 -4,-2.0 4,-2.9 -3,-0.3 -1,-0.2 0.934 112.8 47.9 -61.2 -45.7 -27.5 -40.3 49.7 823 1018 A K H X S+ 0 0 57 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.888 112.8 47.4 -58.8 -48.0 -26.4 -39.4 46.1 824 1019 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.909 114.2 47.6 -61.4 -46.3 -22.7 -39.6 47.1 825 1020 A N H X S+ 0 0 48 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.886 110.9 50.7 -62.8 -41.8 -23.3 -42.9 48.9 826 1021 A E H X S+ 0 0 109 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.871 109.6 52.2 -63.0 -37.5 -25.3 -44.2 45.9 827 1022 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -88,-0.4 0.884 106.8 52.5 -64.0 -41.1 -22.4 -43.1 43.7 828 1023 A L H < S+ 0 0 58 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.893 109.9 47.8 -63.0 -42.1 -19.8 -45.0 45.9 829 1024 A R H < S+ 0 0 164 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 110.7 51.8 -62.0 -46.7 -21.8 -48.3 45.6 830 1025 A E H < S+ 0 0 163 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 85.9 95.9 -59.3 -43.4 -22.1 -47.9 41.9 831 1026 A S < 0 0 19 -4,-2.3 -91,-0.1 1,-0.2 -93,-0.0 -0.358 360.0 360.0 -46.8 119.3 -18.3 -47.4 41.7 832 1027 A W 0 0 256 -2,-0.1 -1,-0.2 0, 0.0 -3,-0.1 0.111 360.0 360.0 14.4 360.0 -17.4 -51.1 40.9