==== 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 2WXJ . 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) . 38459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 71.0 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 . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 35.9 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 3 1 2 3 1 3 3 3 3 1 1 1 0 0 2 0 1 0 2 0 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 . 3 7 3 2 3 1 2 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 0 141 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -50.4 -7.5 7.9 5.7 2 110 A K T 4 + 0 0 95 1,-0.2 4,-0.3 2,-0.2 0, 0.0 0.407 360.0 54.6 -78.5 4.7 -10.9 7.9 7.0 3 111 A K T > S+ 0 0 171 2,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.619 103.7 51.6-108.1 -24.9 -11.6 5.6 4.1 4 112 A L H >> S+ 0 0 90 2,-0.2 4,-2.1 -3,-0.2 3,-0.6 0.933 110.3 49.8 -74.7 -47.5 -9.0 3.2 5.1 5 113 A I H 3X S+ 0 0 40 -4,-1.9 4,-2.3 1,-0.3 5,-0.2 0.846 107.7 53.4 -58.3 -38.8 -10.4 3.0 8.5 6 114 A N H 3> S+ 0 0 39 -4,-0.3 4,-1.7 1,-0.2 11,-0.3 0.790 110.8 47.6 -69.1 -25.9 -13.8 2.4 7.3 7 115 A S H S+ 0 0 31 -4,-1.7 5,-1.0 1,-0.2 4,-0.6 0.867 112.3 42.4 -53.5 -42.4 -15.7 -3.5 7.4 11 119 A L H <5S+ 0 0 127 -4,-1.7 3,-0.3 3,-0.2 -1,-0.2 0.900 114.4 51.6 -72.4 -40.9 -13.2 -6.4 7.2 12 120 A L H <5S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.906 114.6 39.0 -63.9 -46.5 -12.9 -6.7 11.0 13 121 A I H <5S- 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.555 105.5-124.7 -83.7 -9.0 -16.6 -7.0 11.8 14 122 A G T <5S+ 0 0 45 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.782 81.3 90.9 67.2 29.0 -17.3 -9.1 8.7 15 123 A K S - 0 0 15 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.501 15.3-136.5 -70.0 132.2 -19.6 -3.9 4.9 17 125 A L T >> S+ 0 0 12 -11,-0.3 3,-1.8 1,-0.3 4,-1.2 0.761 101.0 71.7 -59.4 -27.7 -20.5 -0.4 6.3 18 126 A H H 3> S+ 0 0 124 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.759 87.3 66.0 -58.6 -26.3 -22.2 0.4 3.0 19 127 A E H <4 S+ 0 0 78 -3,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.734 97.5 53.1 -69.1 -24.7 -24.9 -2.1 4.1 20 128 A F H X4 S+ 0 0 0 -3,-1.8 3,-0.8 -4,-0.3 5,-0.5 0.889 109.9 47.3 -73.7 -43.5 -25.8 0.2 7.0 21 129 A D H >< S+ 0 0 93 -4,-1.2 3,-2.4 1,-0.2 -2,-0.2 0.906 102.4 63.7 -60.3 -44.0 -26.3 3.2 4.6 22 130 A S T 3< S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.645 89.8 67.7 -62.9 -17.6 -28.4 1.1 2.1 23 131 A L T < S- 0 0 92 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.584 85.3-153.6 -76.5 -10.2 -31.1 0.6 4.7 24 132 A R < + 0 0 215 -3,-2.4 -2,-0.1 1,-0.2 -3,-0.1 0.848 41.1 153.6 35.4 46.6 -32.0 4.4 4.6 25 133 A D > - 0 0 42 -5,-0.5 4,-2.3 1,-0.1 3,-0.3 -0.908 42.4-154.8-112.9 114.0 -33.2 3.8 8.2 26 134 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.800 92.9 55.9 -63.1 -30.4 -33.1 6.7 10.5 27 135 A E H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 109.8 46.1 -66.2 -44.1 -32.9 4.6 13.7 28 136 A V H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.953 114.9 48.8 -58.9 -48.3 -29.7 2.9 12.4 29 137 A N H X S+ 0 0 56 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.871 112.1 47.7 -59.0 -40.0 -28.4 6.3 11.4 30 138 A D H X S+ 0 0 62 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.920 111.2 50.4 -72.4 -42.9 -29.2 7.9 14.8 31 139 A F H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.908 112.0 50.5 -53.1 -45.6 -27.6 5.0 16.7 32 140 A R H X S+ 0 0 41 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.955 113.2 40.3 -66.3 -49.6 -24.5 5.4 14.5 33 141 A T H X S+ 0 0 97 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.867 119.3 45.9 -71.5 -34.7 -23.9 9.1 14.9 34 142 A K H X S+ 0 0 107 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.899 115.1 45.3 -72.3 -42.1 -24.7 9.2 18.6 35 143 A M H X S+ 0 0 2 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.822 110.4 55.1 -74.5 -26.6 -22.7 6.1 19.5 36 144 A R H X S+ 0 0 78 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.896 109.5 48.2 -64.0 -40.1 -19.8 7.4 17.4 37 145 A Q H X S+ 0 0 122 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.941 111.0 48.9 -68.1 -51.1 -19.9 10.6 19.4 38 146 A F H X S+ 0 0 43 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.862 113.6 46.8 -54.7 -42.7 -20.0 8.8 22.7 39 147 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.850 107.5 56.1 -74.4 -34.7 -17.1 6.5 21.8 40 148 A E H X S+ 0 0 78 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.886 107.1 49.3 -64.4 -37.9 -14.9 9.4 20.4 41 149 A E H X S+ 0 0 114 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.885 108.8 53.2 -65.7 -42.2 -15.1 11.3 23.7 42 150 A A H X S+ 0 0 27 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.907 109.7 48.7 -57.9 -41.6 -14.2 8.1 25.7 43 151 A A H X S+ 0 0 5 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.863 110.0 51.3 -68.0 -35.2 -11.1 7.8 23.4 44 152 A A H >X S+ 0 0 60 -4,-1.7 4,-0.6 1,-0.2 3,-0.6 0.933 107.6 53.0 -68.1 -43.7 -10.2 11.4 24.0 45 153 A H H >< S+ 0 0 122 -4,-2.8 3,-0.6 1,-0.2 4,-0.2 0.848 108.6 51.7 -53.8 -38.4 -10.5 11.0 27.7 46 154 A R H >< S+ 0 0 5 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.764 96.6 65.3 -75.3 -26.3 -8.1 8.0 27.5 47 155 A Q H << S+ 0 0 39 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.658 107.3 42.8 -77.9 -12.5 -5.3 9.8 25.6 48 156 A Q T << S+ 0 0 152 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.346 84.8 130.3-107.4 0.4 -4.7 12.1 28.5 49 157 A L < - 0 0 23 -3,-0.8 5,-0.1 -4,-0.2 -3,-0.1 -0.157 66.4-102.9 -47.2 144.4 -4.9 9.4 31.3 50 158 A G > - 0 0 31 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.238 35.8-104.8 -60.6 163.8 -2.0 9.4 33.8 51 159 A W H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.872 122.7 46.6 -67.0 -36.5 0.6 6.6 33.2 52 160 A V H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 112.4 51.5 -64.5 -45.5 -0.7 4.5 36.1 53 161 A E H > S+ 0 0 100 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.789 108.3 52.1 -62.3 -32.1 -4.3 5.0 34.9 54 162 A W H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.911 105.9 52.7 -68.9 -47.5 -3.2 3.9 31.5 55 163 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.951 109.1 51.5 -49.3 -51.5 -1.7 0.7 32.9 56 164 A Q H < S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 113.9 44.7 -52.4 -40.6 -5.0 0.2 34.6 57 165 A Y H < S+ 0 0 6 -4,-1.5 397,-2.7 -5,-0.1 398,-0.4 0.913 126.1 26.9 -67.6 -48.8 -6.8 0.6 31.2 58 166 A S H < S+ 0 0 2 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.875 134.1 27.8 -94.4 -38.5 -4.5 -1.5 29.0 59 167 A F S < S- 0 0 5 -4,-3.1 67,-0.3 -5,-0.4 -1,-0.2 -0.586 80.0-165.8-122.6 68.8 -3.1 -4.0 31.5 60 168 A P - 0 0 23 0, 0.0 66,-0.2 0, 0.0 -4,-0.1 -0.217 34.1 -91.9 -56.7 144.8 -5.7 -4.4 34.2 61 169 A L - 0 0 35 1,-0.1 2,-0.7 64,-0.1 66,-0.1 -0.228 27.7-146.8 -64.3 141.7 -4.5 -6.2 37.4 62 170 A Q + 0 0 30 64,-0.4 75,-2.4 -3,-0.1 76,-0.5 -0.893 31.7 169.6-114.0 100.5 -4.8 -10.0 37.7 63 171 A L B -A 136 0A 37 -2,-0.7 73,-0.2 73,-0.3 72,-0.1 -0.636 36.7-102.3-108.7 159.4 -5.3 -10.7 41.4 64 172 A E 0 0 63 71,-2.6 -1,-0.1 -2,-0.2 73,-0.0 -0.525 360.0 360.0 -72.2 147.9 -6.3 -13.8 43.5 65 173 A P 0 0 80 0, 0.0 -1,-0.1 0, 0.0 548,-0.1 0.229 360.0 360.0 -64.0 360.0 -10.0 -13.9 44.8 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 0 179 0, 0.0 2,-0.3 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -92.5 6.2 -14.6 56.1 68 188 A R - 0 0 141 1,-0.0 21,-3.3 0, 0.0 22,-0.3 -0.767 360.0-126.6-107.2 147.5 7.5 -16.9 53.3 69 189 A A E +B 88 0B 51 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.626 26.2 175.6 -92.5 145.0 10.6 -16.3 51.0 70 190 A L E -B 87 0B 15 17,-2.7 17,-2.8 -2,-0.3 2,-0.4 -0.996 26.8-121.7-143.8 154.7 10.7 -16.5 47.2 71 191 A L E -B 86 0B 91 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.767 27.7-175.4 -92.5 137.0 13.2 -15.9 44.4 72 192 A V E -B 85 0B 0 13,-2.4 13,-2.4 -2,-0.4 2,-0.4 -0.966 17.3-146.0-127.5 143.5 12.6 -13.3 41.7 73 193 A N E -Bc 84 150B 15 76,-2.8 78,-3.0 -2,-0.4 2,-0.4 -0.957 24.0-178.8-105.7 132.9 14.5 -12.4 38.6 74 194 A V E +Bc 83 151B 0 9,-2.5 9,-2.9 -2,-0.4 2,-0.2 -0.989 7.9 163.8-135.8 141.1 14.4 -8.8 37.6 75 195 A K E -Bc 82 152B 36 76,-1.6 78,-3.0 -2,-0.4 2,-0.3 -0.812 33.6-103.7-142.0 179.1 15.9 -6.9 34.7 76 196 A F E > - c 0 153B 31 5,-0.6 3,-1.3 3,-0.3 78,-0.1 -0.744 37.8 -98.9-114.1 164.6 15.5 -3.5 33.0 77 197 A E T 3 S+ 0 0 105 76,-1.1 77,-0.1 -2,-0.3 -1,-0.0 0.782 112.4 29.5 -53.5 -42.6 13.8 -2.8 29.6 78 198 A G T 3 S+ 0 0 83 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.072 107.9 69.2-114.2 24.7 16.7 -2.5 27.3 79 199 A S < - 0 0 41 -3,-1.3 -3,-0.3 2,-0.1 0, 0.0 -0.984 60.3-146.4-142.0 149.9 19.4 -4.9 28.7 80 200 A E S S+ 0 0 169 -2,-0.3 -1,-0.1 -5,-0.1 2,-0.1 0.663 70.4 106.2 -90.1 -17.8 19.8 -8.6 29.1 81 201 A E + 0 0 136 -6,-0.0 -5,-0.6 1,-0.0 2,-0.3 -0.380 51.7 177.5 -63.2 137.4 21.7 -8.3 32.4 82 202 A S E -B 75 0B 54 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.928 24.8-137.0-143.7 163.0 19.5 -9.3 35.3 83 203 A F E -B 74 0B 22 -9,-2.9 -9,-2.5 -2,-0.3 2,-0.6 -0.981 10.0-145.5-127.9 135.1 19.6 -9.7 39.1 84 204 A T E -B 73 0B 86 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.910 25.6-175.3-100.9 121.2 18.1 -12.5 41.1 85 205 A F E -B 72 0B 27 -13,-2.4 -13,-2.4 -2,-0.6 2,-0.5 -0.776 24.0-134.8-111.1 157.3 16.7 -11.4 44.5 86 206 A Q E +B 71 0B 144 -2,-0.3 -15,-0.2 -15,-0.2 2,-0.2 -0.974 39.0 161.1-109.3 120.3 15.3 -13.1 47.5 87 207 A V E -B 70 0B 15 -17,-2.8 -17,-2.7 -2,-0.5 2,-0.4 -0.659 38.4 -93.8-125.5-174.4 12.1 -11.4 48.8 88 208 A S E > -B 69 0B 27 -19,-0.2 3,-1.8 -2,-0.2 45,-0.3 -0.867 21.6-131.5-105.1 136.8 9.1 -12.1 51.0 89 209 A T T 3 S+ 0 0 13 -21,-3.3 45,-1.7 -2,-0.4 46,-0.2 0.576 111.3 59.7 -54.5 -9.1 5.7 -13.2 49.6 90 210 A K T 3 S+ 0 0 143 -22,-0.3 -1,-0.3 42,-0.2 2,-0.1 0.641 82.4 103.0 -98.1 -18.4 4.5 -10.4 51.8 91 211 A D < - 0 0 60 -3,-1.8 42,-1.9 41,-0.1 43,-0.1 -0.364 69.4-123.6 -70.6 143.9 6.4 -7.5 50.2 92 212 A M >> - 0 0 69 40,-0.2 3,-1.5 1,-0.1 4,-1.1 -0.394 30.7-102.7 -80.4 161.1 4.7 -5.1 47.9 93 213 A P H 3> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.723 117.9 66.6 -56.0 -23.3 6.0 -4.5 44.3 94 214 A L H 3> S+ 0 0 75 35,-0.2 4,-2.4 2,-0.2 5,-0.1 0.805 97.2 49.9 -70.5 -31.2 7.5 -1.3 45.5 95 215 A A H <> S+ 0 0 41 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.855 111.4 49.0 -76.8 -37.3 10.1 -3.0 47.8 96 216 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.897 112.8 47.5 -66.1 -42.5 11.1 -5.3 45.1 97 217 A M H X S+ 0 0 10 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.928 111.5 50.5 -64.7 -43.8 11.5 -2.3 42.7 98 218 A A H X S+ 0 0 26 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.824 111.4 50.3 -61.3 -33.9 13.4 -0.4 45.3 99 219 A C H X S+ 0 0 33 -4,-1.7 4,-1.7 2,-0.2 3,-0.3 0.911 107.9 51.6 -67.3 -46.4 15.6 -3.4 45.7 100 220 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.827 107.4 53.4 -63.0 -33.2 16.2 -3.7 41.9 101 221 A L H X S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.801 103.4 56.3 -75.5 -30.3 17.2 -0.0 41.7 102 222 A R H X S+ 0 0 158 -4,-1.1 4,-1.7 -3,-0.3 -2,-0.2 0.963 107.4 49.0 -58.5 -51.5 19.9 -0.5 44.5 103 223 A K H X S+ 0 0 83 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.803 111.2 49.8 -61.9 -34.4 21.5 -3.3 42.4 104 224 A K H X S+ 0 0 78 -4,-1.3 4,-3.4 2,-0.2 6,-0.4 0.927 109.4 51.1 -67.0 -48.1 21.5 -1.1 39.3 105 225 A A H <>S+ 0 0 31 -4,-2.2 5,-0.9 2,-0.2 -2,-0.2 0.774 114.1 45.0 -61.7 -29.9 23.1 1.8 41.2 106 226 A T H ><5S+ 0 0 87 -4,-1.7 3,-1.3 3,-0.2 -2,-0.2 0.927 116.1 44.1 -79.0 -47.9 25.8 -0.5 42.5 107 227 A V H 3<5S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.912 118.4 44.2 -62.4 -43.8 26.5 -2.2 39.1 108 228 A F T 3<5S- 0 0 142 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.166 115.5-118.2 -87.1 19.1 26.5 1.1 37.2 109 229 A R T < 5 0 0 231 -3,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.590 360.0 360.0 56.4 14.9 28.6 2.6 40.0 110 230 A Q < 0 0 193 -5,-0.9 -1,-0.3 -6,-0.4 -5,-0.1 0.695 360.0 360.0 62.3 360.0 25.8 5.1 40.9 111 ! 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 3,-1.0 0, 0.0 -14,-0.0 0.000 360.0 360.0 360.0 106.4 12.6 6.5 42.6 113 236 A P G > + 0 0 24 0, 0.0 3,-1.8 0, 0.0 -18,-0.0 0.828 360.0 72.4 -62.7 -33.3 10.8 3.2 42.6 114 237 A E G 3 S+ 0 0 112 1,-0.3 -20,-0.0 -16,-0.0 -16,-0.0 0.403 83.7 68.3 -70.0 3.8 7.4 4.9 42.0 115 238 A E G < S+ 0 0 80 -3,-1.0 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50.7 333 517 A R 0 0 218 -2,-1.6 -1,-0.2 -3,-0.1 -2,-0.1 -0.003 360.0 360.0-174.4 360.0 -38.7 -15.2 50.8 334 ! 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 0.000 360.0 360.0 360.0 132.1 -45.1 -17.9 42.6 336 523 A L - 0 0 43 2,-0.0 5,-0.1 1,-0.0 -5,-0.0 -0.970 360.0-102.7-140.9 145.2 -48.0 -16.6 44.6 337 524 A Y >> - 0 0 178 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.149 40.6-105.4 -64.5 157.8 -51.8 -16.9 44.9 338 525 A E H 3> S+ 0 0 144 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.794 121.7 48.3 -60.5 -31.2 -54.1 -14.3 43.6 339 526 A H H 3> S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.829 108.6 54.4 -75.7 -31.3 -55.0 -13.0 47.0 340 527 A E H <> S+ 0 0 44 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.902 106.2 53.7 -66.3 -40.3 -51.3 -12.9 48.0 341 528 A K H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.966 105.5 52.0 -52.9 -56.5 -50.7 -10.7 44.9 342 529 A D H X S+ 0 0 103 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.787 107.0 54.4 -55.6 -33.8 -53.3 -8.2 45.9 343 530 A L H X S+ 0 0 49 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.943 107.6 48.6 -65.3 -50.9 -51.7 -7.9 49.4 344 531 A V H < S+ 0 0 0 -4,-1.8 3,-0.5 -3,-0.3 4,-0.2 0.928 109.4 52.5 -54.5 -51.1 -48.3 -7.0 47.9 345 532 A W H >< S+ 0 0 45 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.872 109.2 49.4 -56.7 -40.9 -49.7 -4.4 45.6 346 533 A K H 3< S+ 0 0 146 -4,-1.6 3,-0.4 1,-0.2 -1,-0.3 0.804 112.7 49.2 -66.5 -28.7 -51.5 -2.6 48.5 347 534 A M T >X S+ 0 0 45 -4,-1.5 4,-2.3 -3,-0.5 3,-0.7 0.306 73.4 120.6 -91.5 6.0 -48.3 -2.7 50.5 348 535 A R H <> S+ 0 0 29 -3,-1.2 4,-2.2 1,-0.3 -1,-0.2 0.788 75.2 50.0 -45.4 -37.6 -46.2 -1.3 47.6 349 536 A H H 3> S+ 0 0 77 -3,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.919 113.2 44.2 -68.1 -44.8 -45.1 1.7 49.7 350 537 A E H <> S+ 0 0 78 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.713 110.4 57.1 -72.8 -21.9 -44.0 -0.4 52.7 351 538 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 -7,-0.2 7,-0.3 0.921 110.3 44.7 -67.3 -47.3 -42.3 -2.7 50.1 352 539 A Q H < S+ 0 0 27 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.930 121.3 37.3 -59.0 -50.4 -40.3 0.3 49.0 353 540 A E H < S+ 0 0 118 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 133.5 19.8 -76.9 -33.5 -39.5 1.6 52.5 354 541 A H H < S+ 0 0 133 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.400 132.7 31.4-125.5 0.7 -38.9 -1.7 54.3 355 542 A F >< + 0 0 50 -4,-1.8 3,-3.3 -5,-0.1 4,-0.2 -0.122 59.5 155.7-148.9 45.0 -38.3 -4.4 51.7 356 543 A P G > S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 -4,-0.1 0.772 72.3 65.4 -51.4 -27.7 -36.5 -2.6 48.8 357 544 A E G 3 S+ 0 0 130 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.576 89.1 68.1 -71.6 -7.8 -34.9 -6.0 47.7 358 545 A A G X> + 0 0 12 -3,-3.3 4,-1.5 -7,-0.3 3,-1.1 0.360 64.1 113.5 -92.0 5.1 -38.4 -7.3 46.9 359 546 A L H X> S+ 0 0 1 -3,-1.5 4,-2.6 1,-0.3 3,-0.5 0.859 71.6 56.5 -37.5 -53.5 -38.8 -4.9 43.9 360 547 A A H 3> S+ 0 0 7 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.881 106.7 50.0 -52.8 -41.7 -38.8 -7.8 41.4 361 548 A R H <4 S+ 0 0 86 -3,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.804 111.3 48.2 -67.7 -33.0 -41.7 -9.4 43.2 362 549 A L H XX S+ 0 0 0 -4,-1.5 4,-1.8 -3,-0.5 3,-1.0 0.868 108.0 55.4 -74.6 -37.5 -43.7 -6.2 43.2 363 550 A L H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 104.6 54.0 -64.2 -34.5 -42.9 -5.6 39.5 364 551 A L T 3< S+ 0 0 87 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.573 111.5 45.1 -77.0 -12.0 -44.4 -9.1 38.7 365 552 A V T <4 S+ 0 0 19 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.676 87.5 103.9-101.9 -21.9 -47.7 -8.2 40.5 366 553 A T S < S- 0 0 6 -4,-1.8 2,-0.9 1,-0.1 8,-0.1 -0.293 79.6-116.9 -59.6 144.4 -48.1 -4.7 39.0 367 554 A K > - 0 0 97 1,-0.1 3,-1.2 3,-0.1 7,-0.3 -0.743 29.6-176.5 -94.3 101.7 -50.7 -4.6 36.3 368 555 A W T 3 S+ 0 0 37 -2,-0.9 -1,-0.1 1,-0.2 -162,-0.1 0.507 78.2 63.3 -80.3 -3.5 -49.1 -3.7 33.0 369 556 A N T 3 S+ 0 0 35 -133,-0.1 2,-0.5 -164,-0.1 -1,-0.2 0.373 93.3 68.0-100.4 -0.9 -52.4 -3.6 31.1 370 557 A K S <> S- 0 0 106 -3,-1.2 4,-1.1 1,-0.1 3,-0.2 -0.993 71.1-155.8-116.4 122.1 -53.8 -0.8 33.1 371 558 A H H > S+ 0 0 36 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.819 89.8 59.7 -68.7 -32.9 -52.0 2.5 32.5 372 559 A E H > S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.865 105.4 49.3 -64.0 -37.6 -53.0 4.1 35.9 373 560 A D H > S+ 0 0 34 -3,-0.2 4,-2.7 -6,-0.2 -1,-0.2 0.828 106.8 55.0 -70.4 -34.2 -51.2 1.3 37.8 374 561 A V H X S+ 0 0 14 -4,-1.1 4,-3.0 -7,-0.3 5,-0.2 0.929 105.7 51.9 -67.6 -45.3 -48.0 1.6 35.7 375 562 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.850 110.5 51.8 -51.1 -38.3 -47.9 5.3 36.7 376 563 A Q H X S+ 0 0 66 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.986 112.4 42.2 -62.5 -59.0 -48.2 4.0 40.3 377 564 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.888 114.0 52.1 -58.0 -44.6 -45.4 1.5 40.0 378 565 A L H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.936 103.9 56.5 -59.5 -48.9 -43.1 3.9 38.2 379 566 A Y H < S+ 0 0 126 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.855 110.6 45.8 -51.9 -39.2 -43.6 6.7 40.7 380 567 A L H >< S+ 0 0 3 -4,-1.5 3,-0.8 1,-0.2 4,-0.3 0.857 109.0 56.4 -69.4 -35.9 -42.3 4.2 43.4 381 568 A L H >< S+ 0 0 9 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.867 97.2 62.7 -63.8 -36.8 -39.4 3.2 41.1 382 569 A C T 3< S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.706 112.9 34.4 -67.0 -21.4 -38.1 6.7 40.8 383 570 A S T < S+ 0 0 74 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.321 90.1 128.7-110.4 7.5 -37.4 7.0 44.5 384 571 A W < - 0 0 9 -3,-1.2 3,-0.1 -4,-0.3 -31,-0.1 -0.367 64.2-111.3 -68.0 134.8 -36.4 3.3 44.9 385 572 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.319 40.8 -91.1 -62.6 149.5 -33.1 2.7 46.7 386 573 A E - 0 0 106 1,-0.1 23,-0.1 25,-0.1 26,-0.0 -0.343 49.1-136.0 -57.1 140.8 -30.2 1.4 44.6 387 574 A L - 0 0 5 21,-0.2 -1,-0.1 1,-0.1 5,-0.1 -0.685 18.8 -91.1-105.2 154.3 -30.1 -2.5 44.7 388 575 A P > - 0 0 52 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.296 40.4-110.0 -58.5 144.9 -27.4 -5.1 45.2 389 576 A V H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 119.2 57.1 -39.3 -50.3 -25.8 -6.4 42.0 390 577 A L H > S+ 0 0 63 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.924 109.5 43.4 -49.2 -55.7 -27.4 -9.8 42.7 391 578 A S H > S+ 0 0 16 -3,-0.5 4,-1.6 1,-0.2 3,-0.4 0.861 112.2 55.4 -58.0 -40.4 -30.9 -8.2 42.7 392 579 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.811 100.6 57.7 -65.0 -35.1 -29.9 -6.1 39.6 393 580 A L H < S+ 0 0 1 -4,-2.3 -1,-0.2 -3,-0.3 3,-0.2 0.806 106.2 50.8 -66.3 -31.7 -29.0 -9.1 37.5 394 581 A E H >< S+ 0 0 68 -4,-1.0 3,-2.3 -3,-0.4 -2,-0.2 0.921 101.9 59.7 -68.1 -47.4 -32.5 -10.5 38.1 395 582 A L H 3< S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.693 93.1 69.1 -55.9 -20.8 -34.1 -7.2 36.9 396 583 A L T 3< S+ 0 0 20 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 0.499 77.9 112.5 -76.5 -5.0 -32.4 -7.7 33.5 397 584 A D S X S- 0 0 33 -3,-2.3 3,-1.2 1,-0.1 388,-0.1 -0.226 84.6-110.1 -68.9 158.9 -34.6 -10.6 32.7 398 585 A F T 3 S+ 0 0 11 1,-0.3 -195,-0.1 3,-0.1 -1,-0.1 0.715 112.2 76.8 -60.4 -21.9 -37.2 -10.6 29.9 399 586 A S T 3 S+ 0 0 30 1,-0.3 -1,-0.3 -197,-0.2 -2,-0.1 0.249 95.6 53.7 -72.3 14.5 -39.9 -10.7 32.6 400 587 A F < + 0 0 17 -3,-1.2 -1,-0.3 -4,-0.1 -198,-0.1 -0.480 62.1 153.1-145.0 70.1 -39.0 -7.0 33.0 401 588 A P + 0 0 33 0, 0.0 35,-0.2 0, 0.0 -2,-0.1 0.746 34.0 115.8 -74.3 -23.8 -39.3 -5.4 29.6 402 589 A D > - 0 0 4 1,-0.1 4,-2.2 -201,-0.1 5,-0.1 -0.164 64.7-138.7 -56.2 136.9 -40.1 -1.8 30.8 403 590 A C H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.774 102.3 55.8 -71.6 -26.7 -37.4 0.7 29.9 404 591 A Y H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 108.1 47.6 -68.7 -44.0 -37.6 2.3 33.3 405 592 A V H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.932 112.0 51.0 -57.8 -47.2 -37.0 -0.9 35.1 406 593 A G H X S+ 0 0 22 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.877 108.9 50.4 -62.5 -40.8 -34.0 -1.6 32.7 407 594 A S H X S+ 0 0 46 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.871 110.3 49.3 -64.8 -39.3 -32.6 1.8 33.4 408 595 A F H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 111.4 51.1 -61.9 -45.7 -32.9 1.2 37.2 409 596 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.926 111.6 45.1 -57.6 -52.1 -31.2 -2.2 36.7 410 597 A I H X S+ 0 0 4 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.892 112.3 54.1 -56.5 -42.4 -28.2 -0.7 34.7 411 598 A K H >< S+ 0 0 91 -4,-2.2 3,-0.5 1,-0.2 4,-0.2 0.874 109.1 46.5 -64.1 -36.5 -28.0 2.0 37.3 412 599 A S H 3< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.739 110.1 58.0 -72.9 -20.5 -27.8 -0.6 40.1 413 600 A L H >< S+ 0 0 0 -4,-1.2 3,-1.8 -3,-0.3 -2,-0.2 0.551 78.8 84.1 -89.1 -13.3 -25.1 -2.4 38.0 414 601 A R T << S+ 0 0 121 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.770 78.6 69.6 -63.8 -25.0 -22.6 0.3 37.6 415 602 A K T 3 S+ 0 0 100 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.419 73.8 122.2 -74.8 4.3 -21.1 -0.6 41.0 416 603 A L < - 0 0 6 -3,-1.8 2,-0.1 1,-0.1 -3,-0.0 -0.488 64.4-129.2 -60.7 133.7 -19.9 -3.8 39.3 417 604 A T > - 0 0 71 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.296 23.9-109.7 -70.5 167.1 -16.1 -4.2 39.6 418 605 A D H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.880 121.0 54.3 -69.2 -33.2 -14.3 -4.9 36.4 419 606 A D H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 112.2 44.4 -66.4 -36.6 -13.6 -8.4 37.6 420 607 A E H > S+ 0 0 61 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.954 110.7 52.3 -69.1 -52.0 -17.3 -8.9 38.2 421 608 A L H >X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.6 0.898 110.4 50.2 -48.5 -45.3 -18.3 -7.4 34.9 422 609 A F H >< S+ 0 0 44 -4,-2.4 3,-0.8 1,-0.2 4,-0.4 0.903 105.9 55.8 -62.9 -41.6 -15.9 -9.8 33.2 423 610 A Q H 3< S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 119.8 30.8 -58.6 -29.6 -17.4 -12.7 35.1 424 611 A Y H S+ 0 0 4 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.916 110.1 43.6 -53.2 -44.1 -21.3 -13.5 28.5 427 614 A Q H > S+ 0 0 2 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.897 110.5 52.7 -73.1 -40.7 -24.8 -13.0 30.0 428 615 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 110.1 50.0 -61.3 -33.7 -25.0 -9.2 29.6 429 616 A V H >< S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 4,-0.4 0.913 107.9 52.9 -70.8 -39.7 -24.2 -9.7 25.9 430 617 A Q H >< S+ 0 0 5 -4,-1.6 3,-2.0 1,-0.3 -2,-0.2 0.887 99.9 62.9 -61.6 -38.3 -26.8 -12.3 25.5 431 618 A V G >< S+ 0 0 3 -4,-2.0 3,-0.9 1,-0.3 4,-0.4 0.503 83.1 78.0 -67.9 -6.3 -29.4 -10.0 27.0 432 619 A L G X S+ 0 0 0 -3,-1.6 3,-1.0 1,-0.2 -1,-0.3 0.814 83.5 66.8 -68.5 -28.4 -28.9 -7.6 24.1 433 620 A K G < S+ 0 0 40 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.576 95.6 55.5 -66.1 -12.6 -31.1 -10.1 22.1 434 621 A Y G < S+ 0 0 34 -3,-0.9 -1,-0.2 -4,-0.1 -2,-0.2 0.662 83.0 113.6 -90.5 -20.8 -34.0 -9.1 24.3 435 622 A E < - 0 0 51 -3,-1.0 -144,-0.3 -4,-0.4 3,-0.1 -0.153 55.0-153.7 -61.6 144.5 -33.8 -5.3 23.5 436 623 A S S S+ 0 0 14 -35,-0.2 2,-0.3 -146,-0.1 -175,-0.2 0.821 75.1 32.6 -85.2 -31.8 -36.6 -3.6 21.6 437 624 A Y S S- 0 0 28 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.840 73.2-122.1-132.2 160.0 -34.5 -0.8 20.1 438 625 A L S S+ 0 0 4 -2,-0.3 2,-0.6 1,-0.1 5,-0.1 0.961 99.0 58.9 -70.0 -54.1 -30.9 -0.1 18.9 439 626 A D S S+ 0 0 61 -412,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.673 77.1 143.2 -78.5 118.7 -30.0 2.8 21.2 440 627 A C > - 0 0 22 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 -0.961 61.6-106.2-151.7 169.5 -30.4 1.5 24.8 441 628 A E H > S+ 0 0 74 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.831 114.3 55.3 -69.2 -37.1 -28.8 1.8 28.2 442 629 A L H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.913 107.9 49.8 -61.9 -43.1 -27.2 -1.7 28.2 443 630 A T H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 112.3 46.1 -62.6 -48.7 -25.3 -0.9 24.9 444 631 A K H X S+ 0 0 85 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.907 113.5 51.1 -62.9 -40.2 -24.0 2.4 26.2 445 632 A F H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.955 112.2 44.1 -59.2 -53.4 -23.0 0.7 29.4 446 633 A L H X S+ 0 0 2 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.940 116.0 47.9 -61.4 -47.1 -21.1 -2.1 27.7 447 634 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 112.7 49.5 -55.5 -51.4 -19.4 0.3 25.3 448 635 A G H X S+ 0 0 23 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.921 114.1 43.3 -53.7 -50.6 -18.4 2.6 28.1 449 636 A R H X S+ 0 0 40 -4,-2.6 4,-1.0 1,-0.2 8,-0.2 0.879 114.3 51.5 -68.2 -35.3 -16.9 -0.1 30.3 450 637 A A H < S+ 0 0 0 -4,-2.6 7,-0.6 -5,-0.3 -1,-0.2 0.836 109.0 50.3 -67.5 -34.9 -15.2 -1.7 27.3 451 638 A L H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.738 112.1 48.4 -78.1 -18.2 -13.6 1.6 26.3 452 639 A A H < S+ 0 0 62 -4,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.627 119.2 38.9 -90.2 -16.0 -12.4 2.1 29.9 453 640 A N X - 0 0 6 -4,-1.0 4,-2.5 -3,-0.1 3,-0.3 -0.937 65.1-157.1-141.1 113.6 -10.9 -1.5 30.1 454 641 A R H > S+ 0 0 15 -397,-2.7 4,-2.4 -2,-0.4 -396,-0.1 0.793 95.5 56.0 -64.5 -29.5 -9.1 -3.1 27.2 455 642 A K H > S+ 0 0 34 -398,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.914 109.2 45.9 -65.9 -42.9 -9.7 -6.6 28.5 456 643 A I H > S+ 0 0 3 -3,-0.3 4,-3.0 -7,-0.2 5,-0.3 0.937 112.4 52.5 -62.4 -46.7 -13.5 -6.0 28.5 457 644 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 -7,-0.6 -2,-0.2 0.911 107.1 53.3 -50.6 -50.0 -13.2 -4.5 25.1 458 645 A H H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 114.9 37.5 -52.5 -58.4 -11.4 -7.6 23.8 459 646 A F H X S+ 0 0 19 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.848 113.5 56.0 -70.0 -34.5 -14.1 -10.1 25.0 460 647 A L H X S+ 0 0 3 -4,-3.0 4,-2.2 -5,-0.2 5,-0.2 0.949 108.8 49.3 -58.6 -47.3 -17.0 -7.8 24.1 461 648 A F H X S+ 0 0 3 -4,-2.6 4,-3.5 -5,-0.3 -2,-0.2 0.958 114.2 44.5 -56.0 -51.4 -15.7 -7.6 20.6 462 649 A W H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 108.5 54.7 -66.8 -39.4 -15.3 -11.4 20.4 463 650 A H H < S+ 0 0 6 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.927 117.6 39.1 -57.7 -42.2 -18.7 -12.3 21.9 464 651 A L H >< S+ 0 0 2 -4,-2.2 3,-1.7 -5,-0.2 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-4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.865 88.2 41.8 -48.4 -46.1 -26.1 -9.3 12.6 475 662 A L H > S+ 0 0 28 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.981 117.2 45.7 -69.7 -54.5 -27.2 -5.7 12.4 476 663 A R H > S+ 0 0 30 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.949 119.2 40.9 -48.6 -58.7 -27.3 -4.9 16.1 477 664 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.867 112.1 56.1 -62.8 -38.6 -24.0 -6.6 16.8 478 665 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.4 -1,-0.2 0.929 107.6 49.5 -56.1 -46.4 -22.4 -5.1 13.7 479 666 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.876 107.7 52.6 -65.1 -39.3 -23.3 -1.6 14.8 480 667 A I H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.907 109.2 49.0 -64.3 -43.0 -21.9 -2.0 18.3 481 668 A M H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.901 108.7 54.4 -64.8 -41.5 -18.5 -3.2 17.0 482 669 A E H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.968 110.5 45.7 -51.4 -55.9 -18.4 -0.2 14.6 483 670 A A H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.933 110.9 54.1 -56.4 -44.5 -19.0 2.1 17.5 484 671 A Y H X S+ 0 0 4 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4,-2.7 2,-0.2 -2,-0.2 0.770 106.4 58.6 -73.3 -31.0 -8.0 -7.4 16.5 496 683 A M H X S+ 0 0 24 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.900 101.2 55.7 -61.0 -42.0 -7.5 -7.3 12.7 497 684 A K H X S+ 0 0 47 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.935 110.6 45.8 -55.6 -43.8 -4.2 -9.1 13.4 498 685 A Q H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.904 110.9 51.2 -64.4 -44.6 -6.3 -11.7 15.3 499 686 A G H X S+ 0 0 27 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.870 108.7 51.4 -62.8 -39.7 -9.0 -12.0 12.6 500 687 A E H X S+ 0 0 86 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.858 109.4 50.7 -64.6 -36.7 -6.3 -12.5 9.9 501 688 A A H X S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.900 111.8 47.5 -66.9 -40.6 -4.7 -15.3 12.0 502 689 A L H X S+ 0 0 19 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.844 108.4 55.4 -68.8 -36.7 -8.2 -17.0 12.3 503 690 A S H X S+ 0 0 77 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.928 109.7 45.8 -62.2 -44.5 -8.8 -16.6 8.6 504 691 A K H X S+ 0 0 56 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.891 109.4 54.2 -65.4 -40.4 -5.5 -18.5 7.8 505 692 A L H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.885 106.1 53.5 -59.7 -40.0 -6.3 -21.2 10.3 506 693 A K H X S+ 0 0 78 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.874 111.8 45.3 -59.8 -40.5 -9.7 -21.7 8.6 507 694 A A H X S+ 0 0 40 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.897 113.4 49.6 -71.2 -38.9 -7.9 -22.2 5.3 508 695 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 110.0 50.6 -68.5 -39.5 -5.3 -24.5 6.9 509 696 A N H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.841 107.6 53.7 -68.0 -32.8 -8.0 -26.6 8.5 510 697 A D H X S+ 0 0 65 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.912 108.6 49.3 -66.3 -43.2 -9.8 -27.0 5.2 511 698 A F H X S+ 0 0 80 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.917 110.7 50.5 -59.2 -44.3 -6.7 -28.2 3.5 512 699 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.893 108.8 51.7 -63.5 -41.9 -6.1 -30.8 6.3 513 700 A K H < S+ 0 0 40 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.879 116.5 40.7 -61.5 -39.1 -9.7 -32.0 6.0 514 701 A V H >< S+ 0 0 80 -4,-1.9 3,-1.4 2,-0.1 4,-0.3 0.979 118.5 44.4 -72.1 -59.6 -9.2 -32.5 2.3 515 702 A S H >< S+ 0 0 19 -4,-3.4 3,-1.7 1,-0.2 4,-0.4 0.840 106.7 59.2 -50.7 -44.5 -5.6 -34.0 2.4 516 703 A S T 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.612 99.1 59.2 -70.2 -12.7 -6.2 -36.3 5.3 517 704 A Q T < S+ 0 0 155 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.562 113.7 36.0 -87.3 -10.7 -9.0 -38.2 3.4 518 705 A K S < S+ 0 0 171 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.221 122.3 29.7-129.2 9.6 -6.6 -39.1 0.6 519 706 A T S S- 0 0 47 -4,-0.4 2,-0.1 -3,-0.1 -1,-0.1 -0.961 87.0 -81.6-163.5 169.0 -3.4 -39.8 2.4 520 707 A T > - 0 0 82 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.421 42.2-106.1 -87.1 158.3 -2.0 -41.0 5.8 521 708 A K H > S+ 0 0 96 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.890 119.0 51.3 -51.2 -51.5 -1.6 -38.9 8.9 522 709 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.930 111.7 50.1 -50.6 -44.9 2.2 -38.5 8.7 523 710 A Q H > S+ 0 0 101 -3,-0.4 4,-1.3 1,-0.2 -2,-0.2 0.889 112.0 44.6 -61.1 -43.8 1.8 -37.4 5.1 524 711 A T H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.865 109.3 58.8 -67.7 -37.7 -0.8 -34.7 5.8 525 712 A K H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.951 106.5 46.0 -57.3 -52.4 1.2 -33.5 8.8 526 713 A E H X S+ 0 0 139 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.824 112.8 52.1 -61.3 -31.9 4.2 -32.8 6.7 527 714 A M H X S+ 0 0 91 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.923 105.6 53.2 -69.1 -45.1 1.9 -31.0 4.2 528 715 A M H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.922 109.0 51.3 -52.8 -46.5 0.4 -28.8 6.9 529 716 A H H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.893 109.5 48.3 -59.2 -44.1 3.9 -27.8 7.8 530 717 A M H < S+ 0 0 120 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.892 112.3 49.9 -62.8 -39.2 4.8 -26.9 4.2 531 718 A C H >< S+ 0 0 19 -4,-2.6 3,-0.8 1,-0.2 6,-0.3 0.876 112.7 46.6 -66.8 -39.1 1.6 -24.9 4.0 532 719 A M H 3< S+ 0 0 1 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.788 102.2 65.0 -71.4 -31.5 2.4 -23.1 7.2 533 720 A R T 3< S+ 0 0 126 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.524 76.8 111.7 -75.8 -4.5 5.9 -22.4 6.2 534 721 A Q S X> S- 0 0 105 -3,-0.8 4,-2.5 -4,-0.3 3,-0.9 -0.461 80.7-118.8 -63.5 138.5 4.6 -20.2 3.4 535 722 A E H 3> S+ 0 0 181 1,-0.3 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-56.3 -42.5 -27.6 -20.5 44.5 777 972 A L H 3> S+ 0 0 87 -4,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.813 100.8 58.3 -61.1 -33.4 -29.4 -17.4 43.4 778 973 A L H <> S+ 0 0 12 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.937 107.9 45.1 -64.3 -46.3 -26.4 -16.1 41.5 779 974 A F H X S+ 0 0 1 -4,-1.4 4,-3.2 -7,-0.2 5,-0.3 0.940 113.3 51.6 -60.3 -45.7 -26.4 -19.2 39.3 780 975 A L H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 111.4 45.7 -57.8 -45.9 -30.2 -19.1 38.8 781 976 A H H X S+ 0 0 20 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.925 114.7 49.2 -64.1 -43.5 -30.1 -15.4 37.7 782 977 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.899 112.6 45.8 -63.5 -43.8 -27.2 -16.1 35.4 783 978 A F H X S+ 0 0 2 -4,-3.2 4,-1.2 2,-0.2 -1,-0.2 0.872 108.2 58.7 -67.2 -32.6 -28.8 -19.1 33.8 784 979 A A H < S+ 0 0 21 -4,-2.1 3,-0.4 -5,-0.3 4,-0.2 0.918 108.0 45.1 -62.4 -43.8 -32.1 -17.2 33.4 785 980 A L H >< S+ 0 0 1 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.877 104.9 63.2 -66.1 -37.3 -30.4 -14.5 31.3 786 981 A M H >< S+ 0 0 5 -4,-1.7 3,-3.3 1,-0.3 5,-0.4 0.738 79.0 82.5 -62.9 -26.4 -28.6 -17.2 29.3 787 982 A R G >< S+ 0 0 83 -4,-1.2 3,-1.3 -3,-0.4 -1,-0.3 0.824 80.2 70.1 -43.0 -30.5 -31.9 -18.4 28.1 788 983 A A G < S+ 0 0 13 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.634 80.8 75.5 -62.5 -15.6 -31.4 -15.5 25.6 789 984 A A G < S- 0 0 7 -3,-3.3 -1,-0.2 5,-0.2 -2,-0.2 0.670 97.4-128.8 -75.8 -16.7 -28.6 -17.5 23.8 790 985 A G < + 0 0 56 -3,-1.3 5,-0.1 4,-0.3 -2,-0.1 0.640 46.7 163.7 71.8 15.0 -31.0 -19.9 22.0 791 986 A L > - 0 0 2 -5,-0.4 3,-2.5 3,-0.3 -1,-0.3 -0.523 40.2-136.6 -58.8 121.2 -29.0 -22.9 23.3 792 987 A P T 3 S+ 0 0 111 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.833 103.4 51.9 -55.6 -31.7 -31.3 -25.9 22.7 793 988 A E T 3 S+ 0 0 35 1,-0.2 -62,-0.1 2,-0.1 2,-0.1 0.345 112.2 47.5 -85.5 7.3 -30.4 -27.3 26.1 794 989 A L S < S+ 0 0 0 -3,-2.5 -3,-0.3 -7,-0.1 -4,-0.3 -0.552 79.4 96.6-149.7 76.0 -31.2 -24.0 27.8 795 990 A S S S+ 0 0 66 -3,-0.3 2,-0.1 -2,-0.1 -2,-0.1 0.596 73.9 41.5-138.0 -36.6 -34.6 -22.7 26.6 796 991 A C S > S- 0 0 57 -3,-0.0 4,-0.6 1,-0.0 3,-0.3 -0.416 85.2 -97.5-113.6-168.1 -37.4 -23.6 29.0 797 992 A S H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.760 110.3 71.0 -89.1 -28.7 -38.0 -23.7 32.8 798 993 A K H > S+ 0 0 169 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.694 98.5 55.7 -60.5 -17.9 -37.4 -27.5 33.3 799 994 A D H > S+ 0 0 14 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.890 108.8 43.6 -78.6 -44.9 -33.8 -26.6 32.6 800 995 A I H >X S+ 0 0 18 -4,-0.6 4,-1.7 1,-0.2 3,-0.5 0.881 109.2 59.5 -63.8 -40.2 -33.7 -23.9 35.4 801 996 A Q H 3X S+ 0 0 80 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.823 93.5 66.0 -57.2 -34.6 -35.5 -26.4 37.6 802 997 A Y H 3X S+ 0 0 15 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.931 104.7 43.3 -56.4 -46.0 -32.6 -28.8 37.2 803 998 A L H S+ 0 0 86 -4,-1.7 5,-1.1 1,-0.2 4,-0.3 0.934 111.5 42.5 -55.7 -45.6 -33.1 -25.7 41.7 805 1000 A D H ><5S+ 0 0 75 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.880 113.0 50.9 -71.8 -38.9 -33.1 -29.5 42.4 806 1001 A S H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 116.6 39.7 -70.8 -34.6 -29.3 -29.9 42.4 807 1002 A L T 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -106,-0.1 -2,-0.2 0.413 95.9-143.7 -90.8 2.3 -28.7 -27.0 44.8 808 1003 A A T X 5 + 0 0 7 -3,-0.6 3,-1.9 -4,-0.3 8,-0.2 0.834 33.4 169.5 36.7 47.9 -31.7 -28.0 46.9 809 1004 A L T 3 < + 0 0 57 -5,-1.1 -1,-0.1 1,-0.3 -4,-0.1 0.773 66.2 61.8 -62.8 -27.6 -32.4 -24.3 47.5 810 1005 A G T 3 S+ 0 0 84 -6,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.335 97.0 79.5 -80.0 8.2 -35.8 -24.8 49.0 811 1006 A K S < S- 0 0 83 -3,-1.9 2,-0.1 -4,-0.2 0, 0.0 -0.684 86.2-104.9-110.3 164.5 -34.2 -26.8 51.8 812 1007 A T > - 0 0 84 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.436 39.9-109.6 -73.5 161.7 -32.4 -25.9 55.1 813 1008 A E H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 122.1 50.4 -65.6 -33.4 -28.6 -26.5 54.9 814 1009 A E H > S+ 0 0 136 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.927 112.7 48.9 -66.1 -41.5 -28.9 -29.5 57.3 815 1010 A E H >> S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.967 113.7 42.4 -60.6 -60.3 -31.6 -30.8 55.0 816 1011 A A H 3X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.887 111.2 56.9 -57.4 -43.2 -29.8 -30.5 51.7 817 1012 A L H 3X S+ 0 0 14 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.836 108.2 46.4 -60.3 -34.5 -26.5 -31.7 53.2 818 1013 A K H X S+ 0 0 61 -4,-2.2 4,-2.0 1,-0.2 3,-0.6 0.930 110.6 48.3 -53.8 -50.5 -29.8 -35.3 50.8 820 1015 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.858 106.8 58.2 -60.8 -36.8 -26.4 -34.7 49.2 821 1016 A R H 3X S+ 0 0 89 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.809 104.3 50.1 -65.0 -32.3 -25.0 -37.4 51.5 822 1017 A V H