==== 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 2WXP . 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) . 37829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 71.5 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 . 116 14.1 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 . 1 0.1 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 . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 1 1 5 1 3 2 2 4 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 7 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 0 140 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.1 -7.3 39.3 5.6 2 110 A K H > + 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 360.0 52.4 -53.6 -38.9 -10.8 39.5 7.0 3 111 A K H > S+ 0 0 176 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 107.1 52.0 -58.7 -46.9 -11.7 37.4 3.9 4 112 A L H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 109.0 48.7 -58.7 -47.5 -8.9 34.9 5.0 5 113 A I H X S+ 0 0 36 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.949 109.2 53.9 -57.8 -53.4 -10.3 34.6 8.6 6 114 A N H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 11,-0.3 0.876 110.1 46.0 -45.6 -49.8 -13.8 34.0 7.2 7 115 A S H X S+ 0 0 67 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.881 111.7 51.5 -66.6 -39.1 -12.6 31.1 5.0 8 116 A Q H X S+ 0 0 32 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 110.1 49.3 -65.4 -40.0 -10.6 29.6 7.9 9 117 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 6,-0.3 0.901 109.9 52.1 -59.9 -42.1 -13.6 29.7 10.2 10 118 A S H X>S+ 0 0 25 -4,-1.9 5,-1.4 -5,-0.2 4,-0.7 0.901 112.6 44.4 -64.0 -42.8 -15.7 28.1 7.4 11 119 A L H <5S+ 0 0 126 -4,-2.2 3,-0.4 3,-0.2 -1,-0.2 0.904 114.8 50.2 -64.2 -42.9 -13.2 25.3 7.1 12 120 A L H <5S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.898 113.9 41.4 -65.7 -43.5 -12.9 24.9 10.9 13 121 A I H <5S- 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.544 107.1-120.4 -84.3 -6.7 -16.6 24.7 11.7 14 122 A G T <5S+ 0 0 43 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.817 83.7 89.7 69.5 28.7 -17.4 22.4 8.8 15 123 A K S - 0 0 14 -2,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.532 18.3-138.0 -72.2 131.2 -19.5 27.8 4.8 17 125 A L T >> S+ 0 0 13 1,-0.3 3,-1.4 -11,-0.3 4,-1.2 0.764 101.7 68.3 -60.0 -28.2 -20.3 31.2 6.3 18 126 A H H 3> S+ 0 0 124 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.834 87.9 67.5 -61.3 -33.1 -22.1 32.1 3.1 19 127 A E H <4 S+ 0 0 81 -3,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.743 96.6 52.6 -60.9 -28.5 -24.7 29.5 4.0 20 128 A F H X4 S+ 0 0 0 -3,-1.4 3,-0.7 -4,-0.4 5,-0.5 0.894 110.3 48.9 -70.6 -42.5 -25.8 31.7 7.0 21 129 A D H >< S+ 0 0 92 -4,-1.2 3,-2.4 1,-0.2 -2,-0.2 0.924 100.8 63.5 -59.2 -47.7 -26.3 34.6 4.6 22 130 A S T 3< S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 93.1 65.3 -52.2 -24.7 -28.3 32.5 2.1 23 131 A L T < S- 0 0 91 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.713 86.0-153.2 -73.5 -23.3 -31.0 32.1 4.7 24 132 A R < + 0 0 216 -3,-2.4 -3,-0.1 -4,-0.3 -2,-0.1 0.873 36.2 162.4 49.6 43.0 -31.8 35.8 4.7 25 133 A D > - 0 0 43 -5,-0.5 4,-2.8 1,-0.1 -1,-0.2 -0.857 40.9-153.8-102.5 117.4 -33.0 35.3 8.4 26 134 A P H > S+ 0 0 72 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.901 98.3 51.4 -50.3 -45.8 -33.4 38.2 10.8 27 135 A E H > S+ 0 0 15 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.895 112.0 44.6 -62.0 -44.4 -32.8 36.0 13.8 28 136 A V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.932 115.0 50.8 -62.3 -48.0 -29.5 34.5 12.4 29 137 A N H X S+ 0 0 76 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.930 113.0 44.3 -52.6 -52.2 -28.5 38.0 11.4 30 138 A D H X S+ 0 0 59 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.952 113.4 50.0 -63.0 -51.0 -29.2 39.4 14.8 31 139 A F H X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.918 110.9 51.3 -51.1 -49.8 -27.5 36.5 16.6 32 140 A R H X S+ 0 0 39 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.870 115.2 39.1 -61.4 -39.1 -24.4 36.9 14.4 33 141 A T H X S+ 0 0 93 -4,-1.9 4,-2.0 -3,-0.2 -1,-0.2 0.922 117.9 47.0 -81.9 -42.3 -23.9 40.6 15.0 34 142 A K H X S+ 0 0 131 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.953 116.4 44.7 -56.2 -53.8 -24.8 40.7 18.7 35 143 A M H X S+ 0 0 4 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.859 109.5 54.4 -69.8 -35.1 -22.6 37.7 19.5 36 144 A R H X S+ 0 0 82 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.927 110.3 48.3 -56.6 -47.9 -19.7 38.9 17.4 37 145 A Q H X S+ 0 0 130 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.941 111.8 49.0 -57.9 -49.8 -19.8 42.2 19.4 38 146 A F H X S+ 0 0 59 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.823 113.8 46.8 -60.1 -34.5 -19.9 40.4 22.7 39 147 A C H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.890 108.0 53.9 -80.1 -41.4 -17.0 38.1 21.7 40 148 A E H X S+ 0 0 77 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.811 106.8 52.6 -57.4 -35.9 -14.8 40.8 20.4 41 149 A E H X S+ 0 0 115 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.890 107.9 51.2 -70.5 -37.7 -15.1 42.8 23.7 42 150 A A H X S+ 0 0 27 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.855 109.5 50.8 -62.2 -34.9 -14.0 39.6 25.6 43 151 A A H X S+ 0 0 4 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.844 108.4 52.0 -73.5 -33.0 -11.0 39.4 23.3 44 152 A A H < S+ 0 0 59 -4,-1.7 3,-0.4 1,-0.2 4,-0.4 0.920 108.6 50.7 -63.5 -45.4 -10.2 43.0 24.0 45 153 A H H >< S+ 0 0 117 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.884 107.6 55.3 -57.1 -41.6 -10.3 42.4 27.7 46 154 A R H >< S+ 0 0 4 -4,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.787 96.6 61.7 -66.6 -32.3 -8.0 39.4 27.3 47 155 A Q T 3< S+ 0 0 48 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.612 108.1 45.9 -75.5 -8.8 -5.2 41.3 25.5 48 156 A Q T < S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.250 81.1 125.9-118.4 7.8 -4.8 43.5 28.6 49 157 A L < - 0 0 23 -3,-1.2 2,-0.0 -4,-0.1 -3,-0.0 -0.278 69.0-103.5 -57.3 147.5 -4.8 40.8 31.4 50 158 A G > - 0 0 31 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.386 38.6-104.5 -63.3 160.4 -1.9 40.8 33.8 51 159 A W H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 123.4 48.4 -64.0 -38.3 0.6 38.0 33.1 52 160 A V H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 113.7 49.6 -63.7 -38.6 -0.6 35.8 36.0 53 161 A E H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.856 108.4 52.0 -65.6 -38.9 -4.2 36.5 34.8 54 162 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 3,-0.4 0.899 108.0 51.5 -62.8 -43.2 -3.3 35.5 31.3 55 163 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.927 106.3 55.5 -58.1 -45.3 -1.8 32.3 32.6 56 164 A Q H < S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.5 41.3 -54.7 -35.1 -5.1 31.7 34.4 57 165 A Y H < S+ 0 0 7 -4,-1.1 397,-2.7 -3,-0.4 398,-0.4 0.871 123.7 35.6 -76.5 -43.1 -7.0 32.0 31.1 58 166 A S H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.906 133.3 18.5 -90.1 -45.2 -4.6 30.1 29.0 59 167 A F S < S- 0 0 6 -4,-3.0 -1,-0.3 -5,-0.2 67,-0.2 -0.742 80.2-162.5-128.0 79.4 -3.4 27.3 31.3 60 168 A P - 0 0 24 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.328 34.0 -85.9 -68.2 151.2 -5.8 27.0 34.2 61 169 A L - 0 0 27 1,-0.1 2,-0.8 64,-0.1 66,-0.1 -0.129 26.3-145.0 -64.2 142.5 -4.6 25.2 37.3 62 170 A Q + 0 0 28 64,-0.4 75,-2.8 -3,-0.1 76,-0.5 -0.844 34.8 169.8-111.3 91.9 -4.8 21.4 37.7 63 171 A L B -A 136 0A 32 -2,-0.8 73,-0.2 73,-0.3 72,-0.1 -0.750 38.3-102.3-105.9 148.9 -5.5 21.0 41.4 64 172 A E 0 0 65 71,-3.0 -1,-0.1 -2,-0.3 548,-0.0 -0.408 360.0 360.0 -63.8 146.7 -6.6 18.0 43.5 65 173 A P 0 0 76 0, 0.0 -1,-0.1 0, 0.0 548,-0.0 -0.094 360.0 360.0 -57.5 360.0 -10.3 17.8 44.4 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 0 166 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -75.6 5.5 16.7 55.8 68 188 A R - 0 0 127 2,-0.0 21,-2.6 0, 0.0 2,-0.3 -0.945 360.0-126.3-123.4 138.3 7.2 14.5 53.0 69 189 A A E +B 88 0B 46 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.581 28.4 178.1 -80.5 137.5 10.4 15.1 51.0 70 190 A L E -B 87 0B 9 17,-2.9 17,-2.4 -2,-0.3 2,-0.4 -0.998 25.0-128.4-135.3 148.5 10.4 14.9 47.2 71 191 A L E -B 86 0B 97 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.748 28.6-179.6 -89.0 137.3 13.0 15.5 44.6 72 192 A V E -B 85 0B 1 13,-2.5 13,-3.2 -2,-0.4 2,-0.4 -0.987 19.6-141.7-135.1 144.1 12.3 17.9 41.7 73 193 A N E -Bc 84 150B 15 76,-2.9 78,-2.9 -2,-0.3 2,-0.3 -0.925 22.3-174.3-105.6 134.1 14.4 19.0 38.7 74 194 A V E +Bc 83 151B 0 9,-2.9 9,-3.1 -2,-0.4 2,-0.3 -0.969 7.7 169.5-133.4 144.7 14.2 22.6 37.6 75 195 A K E -Bc 82 152B 28 76,-1.5 78,-3.3 -2,-0.3 2,-0.3 -0.921 31.7-110.1-146.3 164.2 15.7 24.5 34.7 76 196 A F E > - c 0 153B 28 5,-0.6 3,-1.0 -2,-0.3 78,-0.1 -0.731 37.1-105.7-103.7 156.8 15.4 27.9 33.0 77 197 A E T 3 S+ 0 0 103 76,-1.3 2,-0.8 -2,-0.3 77,-0.1 0.861 110.8 36.1 -51.4 -57.6 13.8 28.4 29.6 78 198 A G T 3 S+ 0 0 84 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.323 104.8 90.0 -96.9 54.0 16.7 29.0 27.3 79 199 A S < - 0 0 39 -3,-1.0 -3,-0.0 -2,-0.8 0, 0.0 -0.994 57.9-154.7-155.8 141.6 19.2 26.6 28.9 80 200 A E S S+ 0 0 184 -2,-0.3 -1,-0.1 -5,-0.1 -3,-0.0 0.852 75.8 89.6 -74.7 -40.8 20.5 23.0 28.9 81 201 A E + 0 0 133 -6,-0.0 -5,-0.6 1,-0.0 2,-0.3 -0.164 55.8 177.3 -67.0 153.6 21.7 23.1 32.5 82 202 A S E -B 75 0B 55 -7,-0.2 2,-0.4 2,-0.0 -7,-0.2 -0.993 21.8-134.3-159.2 158.4 19.4 22.1 35.4 83 203 A F E -B 74 0B 31 -9,-3.1 -9,-2.9 -2,-0.3 2,-0.5 -0.963 7.4-148.5-125.4 128.6 19.2 21.6 39.1 84 204 A T E -B 73 0B 89 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.3 -0.848 26.2-172.5 -91.6 131.6 17.7 18.8 41.2 85 205 A F E -B 72 0B 25 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.5 -0.934 23.2-134.4-122.9 146.1 16.3 20.1 44.5 86 206 A Q E +B 71 0B 146 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.892 39.8 157.4 -94.7 128.9 14.9 18.4 47.6 87 207 A V E -B 70 0B 13 -17,-2.4 -17,-2.9 -2,-0.5 2,-0.4 -0.864 39.9-100.7-137.1 175.4 11.7 20.0 48.9 88 208 A S E > -B 69 0B 12 -2,-0.3 3,-1.8 -19,-0.2 45,-0.3 -0.808 23.6-127.3 -97.4 144.3 8.7 19.3 51.0 89 209 A T T 3 S+ 0 0 13 -21,-2.6 45,-2.0 -2,-0.4 46,-0.2 0.722 112.1 61.0 -52.9 -22.4 5.3 18.4 49.5 90 210 A K T 3 S+ 0 0 121 -22,-0.2 -1,-0.3 42,-0.2 2,-0.1 0.584 81.5 107.3 -85.9 -12.4 4.0 21.2 51.8 91 211 A D S < S- 0 0 49 -3,-1.8 42,-2.3 41,-0.1 43,-0.1 -0.407 70.5-122.5 -69.4 142.0 6.2 24.0 50.1 92 212 A M >> - 0 0 69 40,-0.2 4,-1.3 -2,-0.1 3,-0.8 -0.486 28.4-108.3 -74.5 154.2 4.5 26.6 47.9 93 213 A P H 3> S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.776 118.3 63.4 -53.5 -26.3 5.7 26.9 44.3 94 214 A L H 3> S+ 0 0 72 35,-0.3 4,-2.0 2,-0.2 5,-0.1 0.904 98.5 52.0 -67.0 -44.0 7.4 30.2 45.3 95 215 A A H <> S+ 0 0 46 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.887 111.6 47.7 -55.0 -44.1 9.7 28.6 47.8 96 216 A L H X S+ 0 0 3 -4,-1.3 4,-1.9 1,-0.2 3,-0.2 0.900 109.3 52.5 -68.7 -41.8 10.8 26.2 45.1 97 217 A M H X S+ 0 0 9 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.831 105.4 57.6 -61.8 -31.9 11.3 29.1 42.6 98 218 A A H X S+ 0 0 24 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.861 105.9 47.6 -68.5 -38.1 13.5 30.8 45.3 99 219 A C H X S+ 0 0 25 -4,-1.4 4,-2.9 -3,-0.2 5,-0.3 0.944 107.1 57.9 -62.8 -48.5 15.9 27.8 45.5 100 220 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.838 108.0 46.2 -51.9 -39.1 16.1 27.7 41.7 101 221 A L H X S+ 0 0 28 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.849 109.5 52.4 -77.2 -35.6 17.3 31.3 41.6 102 222 A R H X S+ 0 0 159 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.925 111.9 48.4 -61.6 -44.1 19.9 30.9 44.4 103 223 A K H X S+ 0 0 102 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.840 114.0 46.2 -63.1 -36.4 21.2 27.9 42.4 104 224 A K H X S+ 0 0 55 -4,-1.6 4,-3.2 -5,-0.3 6,-0.3 0.924 111.1 51.9 -69.5 -46.4 21.3 30.0 39.2 105 225 A A H X>S+ 0 0 26 -4,-3.1 5,-2.2 1,-0.2 4,-0.8 0.824 110.2 48.3 -62.9 -33.8 22.9 33.0 40.9 106 226 A T H <5S+ 0 0 91 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.902 118.2 38.9 -76.9 -40.1 25.8 30.8 42.3 107 227 A V H <5S+ 0 0 84 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.970 123.4 42.3 -64.4 -53.2 26.6 29.1 39.0 108 228 A F H <5S- 0 0 150 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.599 112.1-120.1 -69.1 -15.4 26.0 32.3 37.0 109 229 A R T <5 0 0 214 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.2 0.757 360.0 360.0 68.9 31.9 27.9 34.4 39.7 110 230 A Q < 0 0 197 -5,-2.2 -1,-0.2 -6,-0.3 -5,-0.1 0.674 360.0 360.0 66.2 360.0 24.7 36.5 40.3 111 ! 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 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-1,-0.2 2,-0.2 0, 0.0 0.826 105.7 72.6 -63.9 -30.9 -43.4 20.2 54.9 330 514 A I H 34 S+ 0 0 129 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.823 109.4 27.8 -56.1 -41.4 -44.7 16.6 55.1 331 515 A L H << S+ 0 0 32 -4,-1.0 2,-2.8 -3,-0.5 -1,-0.2 0.740 100.3 92.5 -90.5 -26.1 -45.0 16.2 51.4 332 516 A E < 0 0 18 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 -0.271 360.0 360.0 -75.7 57.1 -42.3 18.7 50.6 333 517 A R 0 0 203 -2,-2.8 -1,-0.2 -3,-0.1 -2,-0.1 0.266 360.0 360.0-163.7 360.0 -39.4 16.2 50.4 334 ! 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 0 247 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.3 -45.3 13.5 42.5 336 523 A L - 0 0 39 1,-0.1 -5,-0.0 2,-0.0 5,-0.0 -0.886 360.0-110.0-128.5 151.6 -48.1 15.0 44.5 337 524 A Y > - 0 0 178 -2,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.128 38.0 -99.5 -74.8 172.9 -52.0 14.9 44.5 338 525 A E H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.972 121.7 44.0 -61.9 -60.9 -54.3 17.7 43.5 339 526 A H H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 112.4 56.1 -52.6 -35.9 -55.2 19.1 46.9 340 527 A E H >> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.972 106.4 49.1 -59.3 -51.8 -51.5 18.9 47.7 341 528 A K H 3X S+ 0 0 80 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.903 108.4 56.3 -46.5 -46.7 -50.8 21.0 44.6 342 529 A D H 3X S+ 0 0 95 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.839 105.1 49.0 -60.3 -39.7 -53.5 23.4 46.0 343 530 A L H < S+ 0 0 42 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.934 113.4 53.2 -58.7 -45.9 -49.8 27.2 45.3 346 533 A K H 3< S+ 0 0 148 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.823 115.9 40.3 -57.1 -33.2 -51.9 28.7 48.2 347 534 A M T 3X S+ 0 0 52 -4,-2.1 4,-1.5 -3,-0.2 3,-0.3 -0.032 74.2 125.8-110.5 26.5 -48.7 29.0 50.3 348 535 A R H <> S+ 0 0 33 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.825 73.0 54.8 -56.7 -37.0 -46.3 30.2 47.6 349 536 A H H > S+ 0 0 76 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.922 108.2 49.0 -62.3 -42.2 -45.2 33.2 49.6 350 537 A E H > S+ 0 0 72 -3,-0.3 4,-3.0 2,-0.2 5,-0.5 0.783 109.7 53.1 -69.3 -26.7 -44.3 31.0 52.5 351 538 A V H X S+ 0 0 0 -4,-1.5 4,-1.9 3,-0.2 7,-0.3 0.931 110.0 46.9 -70.3 -49.0 -42.3 28.8 50.0 352 539 A Q H < S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.859 122.2 38.1 -57.9 -38.7 -40.4 31.9 48.8 353 540 A E H < S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.900 133.2 16.9 -80.1 -46.7 -39.8 32.9 52.4 354 541 A H H < S+ 0 0 125 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.607 133.5 32.0-111.5 -13.8 -39.2 29.6 54.3 355 542 A F >< + 0 0 58 -4,-1.9 3,-3.2 -5,-0.5 -1,-0.1 -0.195 58.8 156.0-140.0 47.9 -38.4 27.0 51.6 356 543 A P G > S+ 0 0 34 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.727 72.8 66.0 -46.7 -25.2 -36.6 28.8 48.7 357 544 A E G 3 S+ 0 0 132 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.591 88.7 66.2 -80.7 -5.2 -35.1 25.5 47.6 358 545 A A G X> + 0 0 15 -3,-3.2 4,-1.7 -7,-0.3 3,-0.6 0.205 63.6 118.8 -97.1 16.3 -38.5 24.1 46.7 359 546 A L H <> S+ 0 0 1 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.866 72.2 53.4 -44.6 -46.7 -38.9 26.6 43.8 360 547 A A H 3> S+ 0 0 8 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.886 105.4 50.8 -62.6 -42.8 -39.1 23.8 41.3 361 548 A R H <> S+ 0 0 85 -3,-0.6 4,-0.8 1,-0.2 -1,-0.2 0.844 113.0 47.9 -66.2 -33.7 -41.9 21.9 43.0 362 549 A L H >X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 3,-0.6 0.896 108.9 53.6 -71.1 -43.5 -43.9 25.2 43.1 363 550 A L H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.854 105.4 54.6 -57.8 -39.9 -43.1 25.9 39.5 364 551 A L H 3< S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 108.8 48.7 -68.4 -26.1 -44.5 22.4 38.5 365 552 A V H << S+ 0 0 15 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.679 86.5 103.7 -89.2 -17.6 -47.8 23.2 40.3 366 553 A T S < S- 0 0 6 -4,-1.3 2,-1.1 -3,-0.2 8,-0.0 -0.412 79.6-116.9 -66.3 138.6 -48.4 26.7 38.8 367 554 A K > - 0 0 118 1,-0.2 3,-1.4 -2,-0.1 7,-0.3 -0.623 28.3-172.8 -79.1 97.1 -51.0 26.7 36.0 368 555 A W T 3 S+ 0 0 38 -2,-1.1 -1,-0.2 1,-0.3 -162,-0.1 0.593 79.4 64.6 -71.9 -6.8 -49.0 27.8 33.0 369 556 A N T 3 S+ 0 0 29 -133,-0.1 2,-0.4 -164,-0.1 -1,-0.3 0.108 90.9 71.0-102.4 19.6 -52.3 28.1 31.0 370 557 A K <> - 0 0 104 -3,-1.4 4,-2.1 1,-0.1 3,-0.3 -0.960 67.2-158.3-135.7 114.8 -53.6 30.9 33.1 371 558 A H H > S+ 0 0 50 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.826 90.8 58.2 -67.8 -36.3 -51.9 34.3 32.7 372 559 A E H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 110.8 45.7 -54.4 -43.3 -53.0 35.7 36.0 373 560 A D H > S+ 0 0 42 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.912 110.9 49.8 -69.7 -45.4 -51.3 32.8 37.7 374 561 A V H X S+ 0 0 9 -4,-2.1 4,-2.9 -7,-0.3 5,-0.2 0.909 109.3 54.8 -60.8 -42.1 -48.1 32.9 35.6 375 562 A A H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.941 110.9 44.7 -50.9 -50.5 -47.9 36.6 36.5 376 563 A Q H X S+ 0 0 57 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.893 113.0 49.2 -66.5 -40.9 -48.1 35.8 40.2 377 564 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.937 113.1 48.4 -63.2 -45.2 -45.6 33.0 40.0 378 565 A L H X S+ 0 0 5 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.913 102.9 61.8 -59.9 -45.6 -43.3 35.3 38.1 379 566 A Y H X S+ 0 0 137 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.901 109.0 43.1 -45.4 -47.6 -43.8 38.0 40.8 380 567 A L H >< S+ 0 0 2 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.878 108.1 59.3 -65.9 -39.2 -42.3 35.6 43.3 381 568 A L H >< S+ 0 0 9 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.857 96.3 62.7 -58.7 -37.3 -39.5 34.6 41.0 382 569 A C H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.718 114.0 31.9 -64.7 -26.8 -38.2 38.2 40.7 383 570 A S T << S+ 0 0 74 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.234 89.7 129.2-109.7 13.1 -37.4 38.4 44.4 384 571 A W < - 0 0 11 -3,-1.3 2,-0.1 -4,-0.3 3,-0.1 -0.410 62.6-116.8 -67.8 136.5 -36.5 34.7 44.8 385 572 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.496 38.9 -89.1 -73.2 151.4 -33.1 34.3 46.5 386 573 A E - 0 0 100 -2,-0.1 23,-0.1 1,-0.1 26,-0.0 -0.167 45.3-141.4 -56.0 149.7 -30.4 32.6 44.5 387 574 A L - 0 0 5 1,-0.1 -1,-0.1 22,-0.1 -30,-0.0 -0.754 21.9 -88.2-117.6 156.7 -30.2 28.8 44.7 388 575 A P > - 0 0 56 0, 0.0 4,-2.8 0, 0.0 3,-0.3 -0.228 42.4-104.7 -62.3 156.4 -27.3 26.3 44.9 389 576 A V H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 120.7 58.1 -42.7 -49.2 -25.8 24.9 41.8 390 577 A L H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.920 109.5 43.1 -52.3 -51.3 -27.6 21.6 42.4 391 578 A S H >> S+ 0 0 16 -3,-0.3 4,-1.6 1,-0.2 3,-0.6 0.933 111.8 54.6 -61.3 -46.7 -31.0 23.3 42.4 392 579 A A H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.855 102.5 57.3 -56.7 -36.4 -30.0 25.4 39.4 393 580 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 4,-0.3 0.867 104.2 52.8 -65.1 -35.1 -29.1 22.3 37.4 394 581 A E H X< S+ 0 0 69 -4,-1.2 3,-1.9 -3,-0.6 -1,-0.2 0.910 102.4 58.5 -62.1 -44.5 -32.6 20.9 37.9 395 582 A L H 3< S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 94.0 67.0 -61.9 -18.9 -34.2 24.1 36.6 396 583 A L T << S+ 0 0 20 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.625 78.5 109.8 -78.5 -14.3 -32.4 23.7 33.3 397 584 A D S X S- 0 0 26 -3,-1.9 3,-2.0 -4,-0.3 388,-0.1 -0.165 88.8-107.6 -58.1 155.4 -34.5 20.6 32.6 398 585 A F T 3 S+ 0 0 11 1,-0.3 -195,-0.1 386,-0.2 -1,-0.1 0.715 112.0 80.6 -60.6 -21.5 -37.1 20.8 29.8 399 586 A S T 3 S+ 0 0 36 1,-0.2 -1,-0.3 -5,-0.2 -195,-0.1 0.544 93.0 51.5 -57.8 -11.4 -39.8 20.8 32.6 400 587 A F < + 0 0 15 -3,-2.0 -1,-0.2 1,-0.1 -198,-0.1 -0.616 60.6 153.3-130.4 74.6 -39.0 24.5 32.9 401 588 A P + 0 0 28 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 0.756 35.0 115.2 -78.2 -20.3 -39.2 26.2 29.6 402 589 A D > - 0 0 4 1,-0.1 4,-2.2 3,-0.1 5,-0.1 -0.168 64.4-138.7 -53.4 137.8 -40.2 29.6 30.8 403 590 A C H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.1 0.794 100.5 54.7 -75.7 -27.3 -37.4 32.1 30.0 404 591 A Y H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.860 111.0 47.4 -70.4 -36.0 -37.5 34.0 33.3 405 592 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.929 113.3 47.4 -64.5 -46.1 -37.0 30.6 35.0 406 593 A G H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.905 112.5 50.1 -64.1 -41.6 -34.1 29.8 32.6 407 594 A S H X S+ 0 0 47 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.887 110.9 48.4 -61.3 -43.2 -32.6 33.2 33.2 408 595 A F H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.889 109.6 54.7 -62.2 -40.6 -32.9 32.7 37.0 409 596 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.943 109.9 44.6 -58.9 -49.4 -31.3 29.3 36.6 410 597 A I H >X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 3,-0.9 0.905 111.0 54.8 -62.0 -43.0 -28.3 30.7 34.7 411 598 A K H >< S+ 0 0 90 -4,-2.2 3,-0.6 1,-0.3 4,-0.3 0.891 108.8 48.2 -57.1 -42.4 -28.1 33.5 37.3 412 599 A S H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 3,-0.2 0.648 111.7 52.1 -72.0 -13.6 -27.9 30.8 40.0 413 600 A L H X< S+ 0 0 0 -3,-0.9 3,-2.6 -4,-0.8 -2,-0.2 0.546 79.8 89.5 -97.9 -13.4 -25.2 29.0 38.0 414 601 A R T << S+ 0 0 118 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.1 0.790 78.9 67.9 -57.5 -22.3 -22.9 32.0 37.5 415 602 A K T 3 S+ 0 0 99 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.394 72.3 123.7 -81.5 7.7 -21.3 30.9 40.8 416 603 A L < - 0 0 6 -3,-2.6 2,-0.1 4,-0.1 -3,-0.0 -0.471 61.8-130.9 -62.2 136.4 -19.9 27.7 39.1 417 604 A T > - 0 0 71 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.394 25.6-109.6 -72.8 164.5 -16.2 27.4 39.4 418 605 A D H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.892 121.1 53.9 -67.3 -36.4 -14.4 26.6 36.1 419 606 A D H > S+ 0 0 85 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 112.9 43.4 -62.6 -42.6 -13.6 23.1 37.4 420 607 A E H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.920 113.3 50.8 -67.5 -41.9 -17.3 22.5 38.1 421 608 A L H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 3,-0.4 0.932 109.9 50.9 -62.6 -45.2 -18.4 24.1 34.9 422 609 A F H >< S+ 0 0 48 -4,-3.1 3,-0.8 1,-0.2 4,-0.4 0.888 107.1 54.3 -53.7 -41.5 -15.9 21.8 33.1 423 610 A Q H 3< S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 118.8 33.5 -67.6 -30.4 -17.4 18.8 34.9 424 611 A Y H 3X S+ 0 0 16 -4,-1.7 4,-2.0 -3,-0.4 3,-0.4 0.300 86.3 106.8-106.4 6.2 -20.9 19.7 33.7 425 612 A L H S+ 0 0 6 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.899 110.1 43.9 -51.1 -47.6 -21.3 18.1 28.4 427 614 A Q H > S+ 0 0 3 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.867 109.2 55.1 -74.6 -37.3 -24.8 18.5 29.9 428 615 A L H X S+ 0 0 1 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.881 108.7 50.3 -60.7 -38.6 -25.0 22.3 29.4 429 616 A V H >< S+ 0 0 0 -4,-2.2 3,-1.4 -5,-0.2 4,-0.4 0.948 108.1 51.0 -63.9 -48.8 -24.2 21.8 25.7 430 617 A Q H >< S+ 0 0 8 -4,-1.8 3,-2.0 1,-0.3 4,-0.2 0.888 102.1 62.9 -56.3 -38.5 -26.9 19.1 25.3 431 618 A V H >< S+ 0 0 3 -4,-2.1 3,-1.9 1,-0.3 4,-0.5 0.716 85.0 75.2 -58.7 -26.2 -29.4 21.5 27.0 432 619 A L G X< S+ 0 0 1 -3,-1.4 3,-1.4 -4,-0.7 -1,-0.3 0.827 84.5 65.9 -53.4 -31.9 -28.9 23.9 24.1 433 620 A K G < S+ 0 0 38 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.651 96.3 56.2 -67.3 -17.6 -31.1 21.5 22.1 434 621 A Y G < S+ 0 0 35 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.625 83.8 112.5 -82.3 -19.2 -34.0 22.5 24.4 435 622 A E < - 0 0 52 -3,-1.4 -144,-0.4 -4,-0.5 5,-0.0 -0.203 56.0-154.0 -64.9 146.4 -33.7 26.2 23.5 436 623 A S S S+ 0 0 14 -35,-0.1 2,-0.2 -146,-0.1 -175,-0.2 0.785 73.0 31.1 -93.0 -25.1 -36.4 27.9 21.6 437 624 A Y S S- 0 0 25 1,-0.1 -2,-0.0 2,-0.1 -173,-0.0 -0.789 75.6-117.1-130.5 169.4 -34.4 30.7 20.0 438 625 A L S S+ 0 0 3 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 0.897 101.0 58.5 -75.4 -40.4 -30.9 31.4 18.8 439 626 A D S S+ 0 0 74 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.825 76.1 145.4 -95.1 116.6 -30.0 34.3 21.2 440 627 A C > - 0 0 17 -2,-0.6 4,-1.8 1,-0.1 3,-0.3 -0.983 59.9-108.3-154.4 159.0 -30.3 32.9 24.8 441 628 A E H > S+ 0 0 71 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 114.5 55.1 -62.2 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109.7 48.3 -53.0 -41.7 2.2 -6.8 8.8 523 710 A Q H > S+ 0 0 106 -3,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.888 111.7 48.0 -69.1 -37.6 1.8 -5.6 5.2 524 711 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.899 110.6 51.5 -68.4 -39.7 -0.9 -3.1 6.0 525 712 A K H X S+ 0 0 67 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 108.9 50.9 -64.3 -47.4 1.1 -1.7 8.9 526 713 A E H X S+ 0 0 94 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.916 113.4 45.2 -56.8 -43.2 4.2 -1.2 6.7 527 714 A M H X S+ 0 0 75 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.880 107.5 56.6 -72.4 -33.5 2.1 0.6 4.1 528 715 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.944 107.7 51.1 -51.4 -48.2 0.3 2.7 6.8 529 716 A H H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 109.1 48.6 -59.6 -46.8 3.9 3.8 7.8 530 717 A M H X S+ 0 0 121 -4,-2.1 4,-0.6 2,-0.2 3,-0.3 0.955 111.9 49.8 -53.9 -50.9 4.8 4.7 4.2 531 718 A C H >< S+ 0 0 22 -4,-2.8 3,-1.1 1,-0.3 6,-0.3 0.920 112.7 47.5 -56.0 -44.3 1.6 6.7 3.9 532 719 A M H 3< S+ 0 0 1 -4,-2.8 6,-0.3 1,-0.2 -1,-0.3 0.787 103.1 63.4 -65.4 -30.4 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3> S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.890 111.8 33.7 -62.6 -40.2 -9.1 -9.6 56.6 757 952 A K H <> S+ 0 0 46 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.927 118.5 51.7 -78.5 -46.1 -8.3 -8.5 53.0 758 953 A F H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.912 110.9 48.5 -57.1 -44.4 -11.6 -9.4 51.5 759 954 A E H X S+ 0 0 84 -4,-3.0 4,-2.0 2,-0.3 -1,-0.2 0.764 104.5 57.2 -73.5 -25.6 -13.5 -7.4 54.2 760 955 A R H X S+ 0 0 123 -4,-0.9 4,-2.6 -5,-0.3 -1,-0.2 0.930 108.8 50.3 -59.1 -43.4 -11.3 -4.3 53.8 761 956 A F H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.3 0.880 107.3 51.3 -62.2 -43.4 -12.4 -4.6 50.2 762 957 A R H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.902 109.1 52.4 -57.2 -43.1 -16.1 -4.8 51.2 763 958 A G H X S+ 0 0 28 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.940 107.3 51.3 -60.7 -49.0 -15.7 -1.7 53.3 764 959 A Y H X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.962 110.7 48.8 -53.5 -50.6 -14.2 0.2 50.4 765 960 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.877 112.9 47.7 -55.1 -41.8 -17.2 -0.8 48.2 766 961 A E H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.932 111.9 48.0 -69.4 -46.8 -19.7 0.3 50.9 767 962 A R H X S+ 0 0 110 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.905 113.9 48.1 -51.9 -47.0 -18.0 3.7 51.6 768 963 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.913 114.0 47.4 -66.3 -42.0 -17.9 4.4 47.8 769 964 A Y H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.836 111.2 48.5 -64.4 -40.1 -21.5 3.4 47.5 770 965 A T H X S+ 0 0 14 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.855 108.5 54.8 -77.4 -32.6 -22.9 5.4 50.4 771 966 A I H X S+ 0 0 1 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.909 106.7 51.0 -61.8 -43.2 -21.0 8.5 49.3 772 967 A L H >< S+ 0 0 0 -4,-1.5 3,-1.5 1,-0.2 7,-0.2 0.919 104.9 57.0 -64.8 -42.5 -22.6 8.3 45.8 773 968 A R H >< S+ 0 0 26 -4,-1.7 3,-1.7 1,-0.3 4,-0.3 0.873 99.8 59.6 -50.9 -43.1 -26.1 8.0 47.4 774 969 A R H 3< S+ 0 0 136 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.741 113.7 36.4 -59.8 -25.7 -25.5 11.3 49.2 775 970 A H T XX S+ 0 0 54 -3,-1.5 4,-1.6 -4,-0.7 3,-1.4 0.054 81.3 122.1-109.8 22.1 -25.0 13.0 45.7 776 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31.2 786 981 A M H >< S+ 0 0 5 -4,-1.5 3,-3.1 1,-0.3 5,-0.4 0.734 78.6 83.9 -69.1 -24.2 -28.5 14.2 29.1 787 982 A R G X< S+ 0 0 89 -4,-1.0 3,-0.8 -3,-0.6 -1,-0.3 0.732 80.1 67.7 -47.3 -24.3 -31.9 13.0 27.8 788 983 A A G < S+ 0 0 13 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.478 81.3 78.5 -75.2 -4.4 -31.4 15.8 25.3 789 984 A A G < S- 0 0 10 -3,-3.1 -1,-0.2 5,-0.2 -2,-0.2 0.827 93.6-133.6 -74.1 -29.4 -28.5 13.9 23.7 790 985 A G < + 0 0 60 -3,-0.8 -3,-0.1 4,-0.4 -2,-0.1 0.598 44.6 164.5 78.6 12.9 -30.7 11.5 21.8 791 986 A L > - 0 0 2 -5,-0.4 3,-2.0 3,-0.2 -1,-0.3 -0.456 42.4-130.4 -60.0 131.0 -28.5 8.6 23.0 792 987 A P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.805 105.0 48.9 -62.4 -27.9 -30.4 5.4 22.4 793 988 A E T 3 S+ 0 0 33 1,-0.2 -62,-0.2 2,-0.1 -2,-0.1 0.237 108.4 56.3 -97.1 16.3 -29.9 4.1 25.9 794 989 A L S < S+ 0 0 0 -3,-2.0 -4,-0.4 -7,-0.1 -3,-0.2 -0.516 71.8 115.8-140.4 67.6 -31.0 7.4 27.6 795 990 A S + 0 0 70 -3,-0.3 2,-0.2 -5,-0.1 -2,-0.1 0.829 68.9 0.6-106.5 -43.3 -34.5 8.0 26.1 796 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807 1002 A L T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -106,-0.1 -2,-0.2 0.352 98.6-139.9 -91.6 1.3 -28.7 4.2 44.3 808 1003 A A T X 5 + 0 0 8 -3,-0.7 3,-1.5 -4,-0.3 -3,-0.2 0.859 35.4 170.3 38.4 54.1 -31.8 3.2 46.4 809 1004 A L T 3 < + 0 0 54 -5,-1.5 -1,-0.1 1,-0.3 -4,-0.1 0.609 63.8 63.2 -76.8 -12.9 -32.5 6.9 46.8 810 1005 A G T 3 S+ 0 0 85 -6,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.420 95.4 80.7 -86.2 0.1 -36.0 6.4 48.4 811 1006 A K S < S- 0 0 90 -3,-1.5 2,-0.1 1,-0.1 0, 0.0 -0.642 84.8-105.0-106.3 162.1 -34.5 4.5 51.3 812 1007 A T > - 0 0 81 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.345 43.9-103.8 -69.5 163.7 -32.8 5.5 54.6 813 1008 A E H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.851 122.0 54.4 -63.6 -30.1 -29.0 4.9 54.6 814 1009 A E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 110.4 43.4 -70.7 -42.3 -29.5 1.8 56.7 815 1010 A E H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.941 113.5 50.7 -67.7 -49.0 -32.0 0.2 54.3 816 1011 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.890 112.1 48.3 -56.7 -39.2 -30.0 1.0 51.2 817 1012 A L H X S+ 0 0 15 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.895 110.8 49.3 -68.7 -42.1 -26.9 -0.4 52.8 818 1013 A K H X S+ 0 0 143 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.940 113.3 47.9 -61.5 -47.6 -28.6 -3.6 53.9 819 1014 A H H X S+ 0 0 62 -4,-2.8 4,-1.9 1,-0.2 3,-0.5 0.904 111.0 50.6 -57.5 -46.9 -30.0 -4.0 50.4 820 1015 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 105.8 57.1 -59.2 -43.0 -26.5 -3.4 48.9 821 1016 A R H X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.780 105.5 51.0 -59.7 -30.1 -25.1 -6.0 51.3 822 1017 A V H X S+ 0 0 52 -4,-1.3 4,-2.8 -3,-0.5 -1,-0.2 0.927 109.7 48.1 -73.1 -44.4 -27.5 -8.6 49.8 823 1018 A K H X S+ 0 0 47 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.857 116.0 46.1 -60.9 -36.4 -26.5 -7.8 46.2 824 1019 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.2 0.940 112.9 46.1 -74.2 -53.2 -22.8 -8.0 47.2 825 1020 A N H X S+ 0 0 53 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.898 112.0 54.6 -55.2 -39.8 -23.1 -11.2 49.2 826 1021 A E H X S+ 0 0 100 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.864 106.7 51.5 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