==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-DEC-03 1RP7 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE E1 COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI . AUTHOR P.ARJUNAN,K.CHANDRASEKHAR,W.FUREY . 1602 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49569.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1125 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 109 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 214 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 515 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 10 8 4 9 3 1 4 3 6 3 1 3 4 2 2 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 2 8 6 4 2 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 . 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 2 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 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 56 A I 0 0 126 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.2 1.2 -56.5 16.7 2 57 A S - 0 0 55 1,-0.2 223,-0.1 3,-0.1 222,-0.1 -0.235 360.0 -66.6 -92.1-177.8 -2.0 -58.4 15.7 3 58 A N - 0 0 76 1,-0.1 2,-2.0 3,-0.1 -1,-0.2 -0.262 56.1 -99.8 -66.1 159.2 -3.0 -62.0 15.9 4 59 A Y S S+ 0 0 0 252,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.372 92.5 92.5 -82.2 61.0 -1.1 -64.5 13.8 5 60 A I S S- 0 0 49 -2,-2.0 231,-0.2 1,-0.1 -3,-0.1 -0.916 89.3 -62.7-143.8 166.5 -3.8 -64.6 11.1 6 61 A N - 0 0 25 -2,-0.3 231,-0.2 1,-0.1 -3,-0.1 -0.145 37.9-136.0 -52.5 146.9 -4.6 -62.8 7.9 7 62 A T S S+ 0 0 52 229,-2.3 -1,-0.1 1,-0.2 230,-0.1 0.872 94.5 60.4 -72.3 -37.4 -5.2 -59.1 8.2 8 63 A I S S- 0 0 21 228,-0.4 -1,-0.2 305,-0.1 -2,-0.1 -0.818 85.6-139.6 -96.9 108.2 -8.2 -59.3 5.9 9 64 A P > - 0 0 43 0, 0.0 3,-2.9 0, 0.0 4,-0.5 -0.349 26.5-112.0 -63.9 147.6 -10.9 -61.6 7.1 10 65 A V G > S+ 0 0 42 1,-0.3 3,-0.9 2,-0.2 -2,-0.0 0.790 118.2 66.4 -52.0 -25.8 -12.5 -63.7 4.4 11 66 A E G 3 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.753 107.7 38.4 -68.7 -21.2 -15.6 -61.7 5.0 12 67 A E G < S+ 0 0 141 -3,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.278 90.6 114.8-109.3 6.8 -13.8 -58.6 3.7 13 68 A Q < - 0 0 32 -3,-0.9 3,-0.1 -4,-0.5 300,-0.1 -0.678 64.5-131.1 -83.4 118.5 -11.9 -60.4 1.0 14 69 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 302,-0.1 -0.247 32.7 -87.1 -66.4 159.4 -12.9 -59.3 -2.5 15 70 A E - 0 0 176 1,-0.1 0, 0.0 300,-0.1 0, 0.0 -0.459 45.5-112.9 -67.1 134.0 -13.9 -61.8 -5.3 16 71 A Y - 0 0 21 -2,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.546 23.7-154.1 -70.3 126.9 -10.8 -63.0 -7.2 17 72 A P + 0 0 75 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.554 61.2 78.5 -81.3 -8.9 -11.1 -61.7 -10.8 18 73 A G S S- 0 0 16 1,-0.0 2,-1.2 2,-0.0 3,-0.1 -0.515 89.0 -97.6-104.3 171.0 -9.0 -64.3 -12.7 19 74 A N > - 0 0 60 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.719 37.0-164.8 -81.2 97.5 -9.4 -67.8 -14.0 20 75 A L H > S+ 0 0 76 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.862 83.3 45.4 -53.9 -43.2 -7.7 -69.7 -11.1 21 76 A E H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.896 114.4 45.7 -71.1 -42.8 -7.3 -72.9 -13.0 22 77 A L H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.876 112.0 52.9 -68.2 -37.1 -5.9 -71.4 -16.2 23 78 A E H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.862 105.8 52.9 -65.4 -38.4 -3.5 -69.2 -14.3 24 79 A R H X S+ 0 0 75 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.811 106.3 55.2 -66.1 -29.5 -2.1 -72.1 -12.4 25 80 A R H X S+ 0 0 78 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.842 113.0 40.8 -70.2 -36.9 -1.5 -73.8 -15.8 26 81 A I H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.853 114.7 52.7 -78.3 -38.5 0.5 -70.8 -16.9 27 82 A R H X S+ 0 0 23 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.879 106.6 52.6 -65.1 -39.6 2.2 -70.5 -13.5 28 83 A S H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.847 107.3 51.4 -65.3 -36.2 3.3 -74.1 -13.5 29 84 A A H X S+ 0 0 0 -4,-0.9 4,-2.9 2,-0.2 343,-0.3 0.875 110.6 49.2 -68.1 -37.2 4.9 -73.7 -16.9 30 85 A I H X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.885 110.6 50.3 -68.4 -39.8 6.8 -70.7 -15.7 31 86 A R H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 113.3 46.3 -61.8 -49.0 7.9 -72.6 -12.6 32 87 A W H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 113.1 47.7 -60.1 -50.7 9.1 -75.4 -14.8 33 88 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.903 110.1 53.3 -60.1 -40.6 10.9 -73.2 -17.2 34 89 A A H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.931 112.5 44.9 -58.6 -45.7 12.6 -71.3 -14.4 35 90 A I H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.837 111.0 52.2 -67.9 -35.8 13.8 -74.6 -13.0 36 91 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.865 106.4 55.9 -69.0 -35.0 15.0 -75.9 -16.4 37 92 A T H X S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.940 113.3 38.7 -61.2 -50.1 17.0 -72.7 -16.9 38 93 A V H X S+ 0 0 5 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.873 117.9 50.8 -69.3 -37.6 18.9 -73.1 -13.7 39 94 A L H X S+ 0 0 41 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 109.5 49.3 -67.5 -41.9 19.2 -76.9 -14.2 40 95 A R H X S+ 0 0 44 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.905 111.1 49.5 -64.2 -42.6 20.5 -76.6 -17.7 41 96 A A H ><>S+ 0 0 3 -4,-1.7 3,-0.6 -5,-0.2 5,-0.5 0.880 109.2 55.0 -62.9 -36.8 23.1 -74.1 -16.6 42 97 A S H ><5S+ 0 0 82 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.891 97.2 63.0 -61.5 -43.7 24.0 -76.5 -13.9 43 98 A K H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 91.5 66.3 -52.9 -33.6 24.6 -79.3 -16.4 44 99 A K T <<5S- 0 0 74 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.787 92.7-146.7 -61.7 -27.2 27.5 -77.3 -17.9 45 100 A D T < 5 + 0 0 127 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.921 57.8 129.5 58.6 45.6 29.4 -77.7 -14.7 46 101 A L S + 0 0 51 -2,-0.3 4,-1.5 -14,-0.1 286,-0.1 0.545 69.0 63.4-136.4 -47.4 15.3 -72.1 -7.5 53 108 A A H > S+ 0 0 25 1,-0.2 285,-2.5 2,-0.2 4,-1.0 0.806 101.3 54.9 -57.4 -35.0 13.8 -72.5 -4.0 54 109 A S H >> S+ 0 0 5 2,-0.2 4,-1.1 1,-0.2 3,-1.1 0.965 107.8 44.5 -67.4 -54.9 13.2 -68.8 -3.6 55 110 A F H 3> S+ 0 0 15 32,-0.3 4,-2.2 1,-0.3 3,-0.2 0.825 107.6 63.6 -59.8 -29.0 11.1 -68.1 -6.7 56 111 A Q H 3< S+ 0 0 2 -4,-1.5 4,-0.3 1,-0.2 -1,-0.3 0.846 103.8 46.2 -63.9 -32.7 9.2 -71.3 -5.8 57 112 A S H << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.718 125.0 30.8 -82.7 -18.6 8.0 -69.6 -2.6 58 113 A S H >X S+ 0 0 3 -4,-1.1 4,-1.9 -3,-0.2 3,-0.7 0.466 84.6 101.5-119.5 -1.2 7.1 -66.4 -4.3 59 114 A A H 3X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.3 5,-0.1 0.901 84.6 51.4 -50.3 -47.6 6.0 -67.3 -7.9 60 115 A T H 3> S+ 0 0 2 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.836 106.6 54.7 -62.9 -31.1 2.3 -67.1 -7.0 61 116 A I H <> S+ 0 0 2 -3,-0.7 4,-1.3 247,-0.2 -1,-0.2 0.919 113.4 41.3 -68.1 -41.8 2.8 -63.6 -5.5 62 117 A Y H X S+ 0 0 5 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.863 110.9 59.4 -70.5 -37.0 4.4 -62.4 -8.7 63 118 A D H X S+ 0 0 6 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.891 103.8 48.6 -59.0 -45.7 1.8 -64.3 -10.8 64 119 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.893 113.3 49.2 -63.2 -39.1 -1.1 -62.4 -9.3 65 120 A C H X>S+ 0 0 0 -4,-1.3 5,-2.7 2,-0.2 4,-2.4 0.901 110.0 48.9 -67.2 -43.6 0.7 -59.1 -10.0 66 121 A F H <5S+ 0 0 7 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.816 120.2 39.4 -66.1 -30.5 1.5 -59.9 -13.6 67 122 A N H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.843 135.9 11.4 -86.8 -38.1 -2.1 -60.9 -14.2 68 123 A H H <5S+ 0 0 27 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.492 130.4 20.6-124.5 -3.2 -3.9 -58.3 -12.1 69 124 A F T <5S+ 0 0 3 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.694 79.5 98.8-132.3 -49.7 -1.7 -55.4 -11.0 70 125 A F < - 0 0 0 -5,-2.7 2,-0.4 1,-0.1 -1,-0.1 -0.286 51.9-159.0 -54.0 110.9 1.6 -54.6 -12.7 71 126 A R - 0 0 32 -2,-0.3 9,-2.7 97,-0.1 321,-0.2 -0.793 13.8-138.8 -91.2 132.0 1.1 -51.8 -15.2 72 127 A A - 0 0 2 319,-2.7 7,-0.2 -2,-0.4 5,-0.2 -0.432 37.3 -72.5 -87.8 164.8 3.8 -51.7 -17.9 73 128 A R + 0 0 88 5,-0.3 5,-0.3 321,-0.3 2,-0.2 -0.290 67.7 172.4 -53.5 134.7 5.5 -48.7 -19.3 74 129 A N - 0 0 29 3,-3.7 -1,-0.1 -3,-0.1 5,-0.1 -0.726 49.2 -80.0-137.2-173.6 3.0 -46.8 -21.5 75 130 A E S S+ 0 0 170 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.813 127.1 41.1 -60.5 -31.2 2.4 -43.6 -23.4 76 131 A Q S S- 0 0 107 1,-0.2 2,-0.3 86,-0.0 -1,-0.2 0.863 126.9 -11.0 -88.1 -39.2 1.5 -41.8 -20.2 77 132 A D S S- 0 0 6 -5,-0.2 -3,-3.7 89,-0.1 -1,-0.2 -0.960 72.0 -91.6-154.6 170.1 4.1 -43.0 -17.7 78 133 A G - 0 0 5 -2,-0.3 -5,-0.3 -5,-0.3 428,-0.1 0.339 67.0-129.7 -69.7 10.0 6.8 -45.6 -17.1 79 134 A G - 0 0 0 -7,-0.2 -7,-0.2 2,-0.1 2,-0.2 -0.233 56.5 -17.5 73.1-166.0 4.3 -47.9 -15.6 80 135 A D - 0 0 4 -9,-2.7 2,-0.9 87,-0.2 89,-0.2 -0.541 65.7-133.6 -73.8 138.0 4.7 -49.5 -12.2 81 136 A L E -a 169 0A 0 87,-1.8 89,-2.6 -2,-0.2 2,-0.6 -0.830 25.8-165.9 -97.9 102.8 8.3 -49.6 -11.0 82 137 A V E -a 170 0A 4 -2,-0.9 2,-1.3 87,-0.2 52,-0.3 -0.817 17.2-160.9 -97.7 120.2 9.0 -53.1 -9.8 83 138 A Y E -a 171 0A 13 87,-3.7 89,-2.4 -2,-0.6 3,-0.1 -0.726 25.2-157.8 -97.2 78.9 12.1 -53.8 -7.8 84 139 A F - 0 0 7 -2,-1.3 52,-0.1 87,-0.2 2,-0.1 -0.295 29.1 -98.1 -58.5 138.7 12.1 -57.6 -8.4 85 140 A Q > - 0 0 13 1,-0.1 3,-1.4 88,-0.1 -1,-0.1 -0.431 39.2-130.5 -58.8 130.1 13.9 -59.6 -5.8 86 141 A G G > S+ 0 0 0 1,-0.2 3,-1.2 50,-0.2 51,-0.1 0.872 97.4 49.7 -53.9 -49.0 17.2 -60.2 -7.6 87 142 A H G 3 S+ 0 0 28 1,-0.3 -32,-0.3 49,-0.1 -36,-0.3 0.306 96.1 69.9 -80.0 10.1 17.7 -63.9 -7.2 88 143 A I G X> + 0 0 0 -3,-1.4 3,-1.6 1,-0.2 4,-1.1 0.199 65.4 114.5-104.8 13.0 14.2 -64.8 -8.5 89 144 A S H <> + 0 0 1 -3,-1.2 4,-2.9 1,-0.3 5,-0.3 0.794 62.3 65.8 -52.6 -37.2 15.3 -63.7 -11.9 90 145 A P H 3> S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.855 102.8 49.1 -57.0 -32.0 15.1 -67.2 -13.4 91 146 A G H <> S+ 0 0 1 -3,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.872 110.9 48.5 -73.1 -37.5 11.3 -67.0 -12.8 92 147 A V H X S+ 0 0 5 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.861 113.4 47.9 -67.4 -39.1 11.2 -63.5 -14.5 93 148 A Y H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.878 108.5 55.9 -68.3 -38.1 13.2 -65.0 -17.4 94 149 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.905 111.5 42.4 -60.9 -44.3 10.8 -68.0 -17.5 95 150 A R H X S+ 0 0 7 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.940 111.9 53.0 -68.1 -49.1 7.8 -65.7 -17.9 96 151 A A H <>S+ 0 0 0 -4,-2.4 5,-3.8 1,-0.2 6,-0.6 0.911 110.8 48.8 -53.1 -44.0 9.4 -63.4 -20.4 97 152 A F H ><5S+ 0 0 17 -4,-2.3 3,-2.1 4,-0.3 -1,-0.2 0.946 110.6 49.4 -61.6 -49.0 10.3 -66.4 -22.5 98 153 A L H 3<5S+ 0 0 9 -4,-2.0 276,-0.3 1,-0.3 -1,-0.2 0.855 108.8 53.2 -58.8 -34.9 6.7 -67.7 -22.3 99 154 A E T 3<5S- 0 0 11 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.471 122.2-114.0 -77.7 -1.4 5.6 -64.2 -23.3 100 155 A G T < 5S+ 0 0 63 -3,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.717 86.3 118.9 76.0 22.0 7.9 -64.7 -26.3 101 156 A R S - 0 0 57 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.393 24.5-110.4 -92.4 174.0 14.4 -67.0 -26.9 104 159 A Q H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.863 118.5 56.2 -69.8 -38.2 15.3 -70.5 -26.0 105 160 A E H > S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.877 105.7 51.1 -61.8 -40.2 19.0 -69.8 -26.8 106 161 A Q H >4 S+ 0 0 37 1,-0.2 3,-0.7 2,-0.2 13,-0.3 0.900 109.0 49.6 -65.3 -40.6 19.0 -66.9 -24.3 107 162 A L H >< S+ 0 0 1 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.860 109.5 52.9 -65.5 -33.1 17.6 -69.1 -21.6 108 163 A D H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.629 106.3 54.5 -75.9 -13.4 20.3 -71.6 -22.5 109 164 A N T X< S+ 0 0 48 -3,-0.7 3,-2.1 -4,-0.6 10,-1.6 0.046 76.6 148.7-105.5 22.1 22.8 -68.8 -22.1 110 165 A F B < S+e 119 0B 2 -3,-1.3 10,-0.1 1,-0.3 11,-0.1 -0.413 77.6 5.8 -59.3 126.2 21.6 -68.1 -18.6 111 166 A R T 3 S+ 0 0 1 8,-2.4 -1,-0.3 -2,-0.1 2,-0.2 0.755 111.7 96.0 65.9 28.2 24.6 -66.8 -16.7 112 167 A Q < + 0 0 32 -3,-2.1 1441,-0.3 7,-0.4 5,-0.2 -0.690 36.5 139.9-144.9 85.4 26.8 -66.7 -19.8 113 168 A E > + 0 0 23 1439,-3.0 3,-3.2 -2,-0.2 5,-0.3 0.720 39.8 93.1-103.5 -25.5 26.8 -63.2 -21.3 114 169 A V T 3 S+ 0 0 36 1438,-0.6 -1,-0.1 1,-0.3 1439,-0.1 0.753 88.4 53.0 -41.8 -34.3 30.3 -62.5 -22.4 115 170 A H T 3 S- 0 0 143 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.343 117.4-107.2 -90.6 8.5 29.5 -63.7 -26.0 116 171 A G S < S+ 0 0 64 -3,-3.2 -2,-0.1 1,-0.0 -3,-0.1 0.219 97.2 71.1 96.9 -17.8 26.5 -61.5 -26.5 117 172 A N S S+ 0 0 64 -5,-0.2 -8,-0.2 -12,-0.1 2,-0.1 -0.116 75.6 95.5-128.6 42.3 23.3 -63.6 -26.3 118 173 A G - 0 0 12 -5,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.405 66.4-108.4-115.7-167.0 22.9 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6.7 -46.5 11.7 231 286 A G T < 5S+ 0 0 24 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.601 70.1 146.4 81.3 13.4 3.1 -45.6 10.6 232 287 A W < - 0 0 0 -5,-3.0 2,-0.8 -6,-0.2 -1,-0.2 -0.455 57.3-111.0 -83.0 154.6 2.9 -48.1 7.7 233 288 A N E -d 329 0A 18 95,-3.7 97,-3.0 -2,-0.1 2,-0.6 -0.768 39.5-155.4 -83.9 114.0 -0.2 -49.9 6.6 234 289 A V E -d 330 0A 6 -2,-0.8 2,-0.6 95,-0.2 97,-0.2 -0.840 16.1-177.8-100.5 120.9 0.5 -53.5 7.5 235 290 A I E -d 331 0A 1 95,-2.7 97,-2.6 -2,-0.6 2,-0.5 -0.941 10.5-159.0-117.8 111.5 -1.2 -56.4 5.7 236 291 A K E -d 332 0A 2 -2,-0.6 -229,-2.3 95,-0.2 2,-0.8 -0.788 5.8-166.8 -92.5 122.6 -0.4 -59.9 6.9 237 292 A V E +d 333 0A 4 95,-2.9 97,-2.8 -2,-0.5 71,-0.4 -0.803 31.0 148.2-108.6 86.2 -1.1 -62.7 4.4 238 293 A M + 0 0 0 -2,-0.8 69,-2.4 69,-0.2 2,-0.3 0.916 49.3 24.3 -87.5 -52.5 -0.7 -65.7 6.7 239 294 A W B -G 306 0D 7 67,-0.3 67,-0.2 68,-0.2 -1,-0.2 -0.877 66.5-117.7-127.3 156.4 -3.0 -68.5 5.7 240 295 A G > - 0 0 2 65,-2.6 3,-2.0 -2,-0.3 4,-0.5 -0.283 45.4 -91.5 -81.4 171.2 -4.8 -70.0 2.7 241 296 A S G > S+ 0 0 30 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.696 117.2 75.1 -54.6 -23.6 -8.6 -70.4 2.3 242 297 A R G 3 S+ 0 0 155 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.785 93.3 52.7 -61.3 -29.4 -8.4 -73.9 3.8 243 298 A W G <> S+ 0 0 13 -3,-2.0 4,-2.8 62,-0.2 5,-0.4 0.688 87.4 88.4 -78.5 -21.0 -8.0 -72.3 7.2 244 299 A D H <> S+ 0 0 24 -3,-0.9 4,-1.7 -4,-0.5 -1,-0.2 0.853 94.6 34.3 -46.2 -51.1 -11.1 -70.2 6.8 245 300 A E H > S+ 0 0 110 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.749 114.6 60.6 -80.9 -21.6 -13.6 -72.7 8.1 246 301 A L H > S+ 0 0 2 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.947 111.0 38.2 -67.5 -49.3 -11.2 -74.0 10.6 247 302 A L H < S+ 0 0 40 -4,-2.8 -2,-0.2 2,-0.2 6,-0.2 0.903 115.2 53.8 -67.8 -41.9 -10.8 -70.6 12.4 248 303 A R H < S+ 0 0 137 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.895 110.8 48.8 -58.9 -38.8 -14.5 -69.9 11.9 249 304 A K H < S+ 0 0 93 -4,-2.0 2,-0.9 -5,-0.1 -2,-0.2 0.941 90.8 87.1 -65.4 -49.6 -15.1 -73.2 13.6 250 305 A D < + 0 0 15 -4,-2.3 3,-0.3 1,-0.2 6,-0.1 -0.367 44.1 162.5 -58.0 96.0 -12.7 -72.5 16.5 251 306 A T + 0 0 141 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.598 68.2 69.1 -91.3 -13.8 -15.0 -70.7 19.0 252 307 A S S S- 0 0 56 36,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.588 99.9-131.5 -79.0 -12.1 -12.5 -71.3 21.9 253 308 A G S > S+ 0 0 35 -3,-0.3 4,-1.1 -6,-0.2 -2,-0.1 0.723 71.6 125.4 66.8 19.7 -10.0 -69.0 20.3 254 309 A K H > + 0 0 53 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.736 63.3 56.9 -81.9 -26.3 -7.4 -71.7 20.8 255 310 A L H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.957 107.0 49.7 -67.7 -49.7 -6.2 -71.9 17.2 256 311 A I H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 -252,-0.4 0.907 112.6 49.1 -52.1 -45.1 -5.4 -68.2 17.3 257 312 A Q H X S+ 0 0 54 -4,-1.1 4,-3.5 2,-0.2 5,-0.2 0.945 113.0 44.3 -61.3 -52.3 -3.5 -68.9 20.5 258 313 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.948 116.9 46.9 -58.2 -49.4 -1.5 -71.8 19.1 259 314 A M H < S+ 0 0 0 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 116.2 46.4 -58.2 -42.1 -0.8 -69.9 15.9 260 315 A N H < S+ 0 0 44 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.883 116.4 42.4 -68.9 -41.8 0.2 -66.9 18.0 261 316 A E H < S+ 0 0 94 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.694 90.1 100.0 -82.5 -19.4 2.4 -68.8 20.4 262 317 A T < - 0 0 8 -4,-2.2 2,-0.2 -5,-0.2 20,-0.0 -0.462 68.3-135.4 -69.6 137.5 4.1 -71.1 17.9 263 318 A V >> - 0 0 33 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.594 20.1-105.3 -97.0 156.0 7.6 -69.9 17.0 264 319 A D H 3> S+ 0 0 0 -47,-3.2 4,-2.4 -50,-0.3 5,-0.2 0.859 117.6 52.2 -40.5 -56.3 9.2 -69.6 13.5 265 320 A G H 3> S+ 0 0 22 -50,-2.5 4,-1.6 -48,-0.3 -1,-0.3 0.871 110.3 49.2 -52.6 -42.4 11.5 -72.6 14.0 266 321 A D H X> S+ 0 0 83 -3,-0.8 4,-2.5 -51,-0.4 3,-0.7 0.968 110.4 49.0 -61.6 -55.9 8.6 -74.8 15.0 267 322 A Y H 3X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.855 110.2 53.2 -52.1 -38.4 6.5 -73.8 12.1 268 323 A Q H 3< S+ 0 0 19 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.3 0.844 108.3 50.4 -67.5 -33.5 9.5 -74.5 9.9 269 324 A T H X< S+ 0 0 53 -4,-1.6 3,-2.0 -3,-0.7 4,-0.3 0.932 105.9 53.4 -69.8 -48.8 9.8 -78.0 11.3 270 325 A F H >< S+ 0 0 23 -4,-2.5 3,-3.5 1,-0.3 -2,-0.2 0.954 102.3 61.1 -49.1 -52.1 6.1 -78.8 10.8 271 326 A K T 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.690 104.7 48.5 -48.8 -23.2 6.6 -77.9 7.2 272 327 A S T < S+ 0 0 73 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.350 110.0 60.5-101.7 5.8 9.2 -80.7 6.9 273 328 A K S < S- 0 0 85 -3,-3.5 2,-0.3 -4,-0.3 -3,-0.1 0.297 85.7 -98.7-101.6-132.8 7.0 -83.3 8.5 274 329 A D >> - 0 0 86 1,-0.0 4,-1.9 27,-0.0 3,-0.9 -0.953 40.7 -84.8-152.6 165.6 3.6 -84.7 7.5 275 330 A G H 3> S+ 0 0 4 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.797 126.1 58.7 -44.4 -33.0 -0.1 -84.3 8.4 276 331 A A H 3> S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.931 105.6 45.8 -64.1 -49.0 0.6 -86.7 11.3 277 332 A Y H <>>S+ 0 0 71 -3,-0.9 4,-4.3 2,-0.2 5,-0.7 0.939 115.2 47.2 -59.8 -50.7 3.2 -84.5 12.9 278 333 A V H X>S+ 0 0 15 -4,-1.9 4,-1.4 1,-0.2 5,-1.3 0.976 112.3 46.8 -55.3 -64.0 1.2 -81.4 12.5 279 334 A R H <5S+ 0 0 59 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.821 123.6 38.2 -48.5 -35.2 -2.1 -82.8 13.8 280 335 A E H <5S+ 0 0 118 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.949 130.3 23.4 -83.6 -57.3 -0.1 -84.2 16.7 281 336 A H H <5S+ 0 0 71 -4,-4.3 -3,-0.2 -5,-0.2 -2,-0.2 0.942 136.4 27.9 -78.5 -49.3 2.5 -81.6 17.6 282 337 A F T >< S- 0 0 53 -3,-0.6 4,-2.9 -4,-0.3 3,-0.7 -0.946 72.6-129.7-126.2 145.6 -4.8 -78.4 23.0 287 342 A P H 3> S+ 0 0 99 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.934 109.0 61.7 -58.0 -44.2 -7.8 -80.6 22.7 288 343 A E H 34 S+ 0 0 90 1,-0.2 -36,-0.1 2,-0.2 -33,-0.1 0.811 113.0 36.5 -50.7 -34.9 -9.8 -77.7 21.4 289 344 A T H X> S+ 0 0 0 -3,-0.7 3,-1.9 2,-0.2 4,-1.2 0.893 116.0 50.7 -86.0 -45.5 -7.5 -77.5 18.4 290 345 A A H 3X S+ 0 0 30 -4,-2.9 4,-0.5 -7,-0.4 -2,-0.2 0.866 106.9 58.6 -58.8 -34.2 -6.8 -81.2 18.0 291 346 A A H 3< S+ 0 0 60 -4,-3.7 -1,-0.3 -5,-0.3 4,-0.3 0.566 97.4 62.0 -72.1 -10.1 -10.6 -81.6 18.0 292 347 A L H <4 S+ 0 0 9 -3,-1.9 3,-0.4 -5,-0.2 -1,-0.2 0.918 116.5 27.0 -80.6 -46.9 -10.8 -79.2 15.0 293 348 A V H >< S+ 0 0 0 -4,-1.2 3,-2.6 1,-0.2 -2,-0.2 0.327 90.9 107.7 -95.3 5.2 -8.8 -81.5 12.7 294 349 A A T 3< S+ 0 0 56 -4,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.892 85.5 44.1 -48.6 -42.1 -9.9 -84.6 14.6 295 350 A D T 3 S+ 0 0 132 -3,-0.4 2,-0.5 -4,-0.3 -1,-0.3 -0.112 97.9 109.3 -94.7 35.1 -12.1 -85.4 11.6 296 351 A W S < S- 0 0 54 -3,-2.6 2,-0.1 4,-0.0 -3,-0.1 -0.950 71.0-127.1-118.6 127.9 -9.3 -84.5 9.2 297 352 A T >> - 0 0 60 -2,-0.5 3,-2.4 1,-0.2 4,-2.1 -0.449 30.3-118.5 -65.1 140.9 -7.4 -86.9 7.1 298 353 A D H 3> S+ 0 0 54 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.793 120.7 55.3 -52.4 -25.6 -3.7 -86.3 7.8 299 354 A E H 34 S+ 0 0 151 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.695 104.1 52.5 -79.2 -21.5 -3.6 -85.5 4.1 300 355 A Q H <4 S+ 0 0 87 -3,-2.4 4,-0.4 2,-0.2 3,-0.4 0.843 111.8 46.6 -79.0 -36.7 -6.3 -82.9 4.7 301 356 A I H >< S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.953 110.5 50.5 -66.8 -53.4 -4.2 -81.4 7.5 302 357 A W T 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.532 101.3 68.3 -64.4 -4.5 -1.0 -81.4 5.4 303 358 A A T 3 + 0 0 37 -3,-0.4 -1,-0.3 -5,-0.1 -2,-0.2 0.682 69.5 108.7 -88.4 -20.8 -3.0 -79.7 2.7 304 359 A L < - 0 0 23 -3,-1.9 2,-0.2 -4,-0.4 -63,-0.0 -0.410 58.4-159.6 -60.2 124.3 -3.4 -76.4 4.7 305 360 A N - 0 0 33 -2,-0.2 -65,-2.6 1,-0.1 -62,-0.2 -0.691 19.2-101.1-111.2 162.7 -1.2 -73.8 3.0 306 361 A R B > -G 239 0D 16 -67,-0.2 3,-1.9 -2,-0.2 -67,-0.3 -0.477 37.6-114.2 -76.1 148.2 0.4 -70.5 3.9 307 362 A G G > S+ 0 0 0 -69,-2.4 3,-1.7 1,-0.3 -69,-0.2 0.762 110.1 68.9 -55.7 -30.1 -1.3 -67.4 2.6 308 363 A G G 3 S+ 0 0 0 26,-2.7 -1,-0.3 -71,-0.4 -247,-0.2 0.472 99.0 52.4 -70.6 0.6 1.4 -66.4 0.2 309 364 A H G < S+ 0 0 12 -3,-1.9 -1,-0.3 25,-0.3 -2,-0.2 0.399 91.2 86.3-113.0 -1.1 0.5 -69.4 -1.9 310 365 A D X> - 0 0 23 -3,-1.7 4,-2.3 -4,-0.2 3,-0.5 -0.882 61.6-159.1-106.1 111.1 -3.2 -68.6 -2.2 311 366 A P H 3> S+ 0 0 14 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.886 92.9 54.9 -53.9 -42.6 -4.0 -66.3 -5.0 312 367 A K H 3> S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.873 112.2 43.1 -60.6 -38.0 -7.3 -65.2 -3.5 313 368 A K H <> S+ 0 0 8 -3,-0.5 4,-1.2 -6,-0.2 -1,-0.2 0.807 114.9 50.5 -76.2 -32.3 -5.5 -64.2 -0.3 314 369 A I H X S+ 0 0 3 -4,-2.3 4,-2.1 -7,-0.2 5,-0.2 0.927 108.0 53.1 -70.3 -45.3 -2.7 -62.5 -2.2 315 370 A Y H X S+ 0 0 24 -4,-3.3 4,-2.7 1,-0.2 5,-0.3 0.898 104.2 54.9 -57.0 -45.4 -5.2 -60.5 -4.4 316 371 A A H X S+ 0 0 4 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.893 109.0 49.0 -56.9 -41.8 -7.0 -59.1 -1.4 317 372 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.904 114.9 42.6 -66.6 -42.8 -3.7 -57.7 0.0 318 373 A F H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.830 114.6 50.7 -74.9 -29.7 -2.6 -56.1 -3.3 319 374 A K H X S+ 0 0 42 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.930 112.7 47.1 -71.1 -42.9 -6.1 -54.8 -3.9 320 375 A K H X S+ 0 0 60 -4,-2.4 4,-1.8 -5,-0.3 3,-0.3 0.908 111.3 50.2 -63.0 -43.3 -6.2 -53.3 -0.4 321 376 A A H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.913 108.9 54.2 -60.3 -41.6 -2.7 -51.8 -0.8 322 377 A Q H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.793 110.6 45.2 -62.1 -31.4 -3.9 -50.3 -4.1 323 378 A E H < S+ 0 0 116 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.751 90.9 103.1 -84.9 -27.3 -6.9 -48.6 -2.4 324 379 A T < - 0 0 26 -4,-1.8 2,-0.3 -5,-0.1 5,-0.1 -0.372 47.7-177.9 -66.4 131.1 -4.9 -47.2 0.6 325 380 A K + 0 0 141 -2,-0.2 -130,-0.1 1,-0.1 -131,-0.1 -0.831 55.3 40.9-123.9 160.2 -4.0 -43.5 0.6 326 381 A G S S+ 0 0 38 -132,-0.3 2,-0.3 -2,-0.3 -131,-0.2 0.280 113.2 27.8 88.1 -11.8 -2.1 -41.3 3.0 327 382 A K S S- 0 0 67 -133,-0.3 2,-0.2 -134,-0.1 -136,-0.1 -0.987 84.5 -86.1-168.8 169.2 0.7 -43.9 3.7 328 383 A A - 0 0 0 -2,-0.3 -95,-3.7 -138,-0.1 2,-0.4 -0.472 34.7-140.4 -85.7 157.8 2.7 -46.8 2.4 329 384 A T E -cd 199 233A 3 -131,-1.6 -129,-2.5 -134,-0.2 2,-0.5 -0.929 7.5-160.4-120.6 142.9 1.6 -50.4 2.7 330 385 A V E -cd 200 234A 0 -97,-3.0 -95,-2.7 -2,-0.4 2,-0.6 -0.992 7.5-155.1-124.0 125.2 3.8 -53.4 3.5 331 386 A I E -cd 201 235A 2 -131,-3.6 -129,-2.3 -2,-0.5 2,-0.9 -0.903 1.0-159.3-101.9 120.7 2.5 -56.8 2.6 332 387 A L E -cd 202 236A 0 -97,-2.6 -95,-2.9 -2,-0.6 2,-0.6 -0.859 14.6-163.8-101.7 96.7 4.0 -59.7 4.7 333 388 A A E -cd 203 237A 2 -131,-2.0 -129,-2.9 -2,-0.9 2,-0.6 -0.757 10.4-143.0 -88.9 117.9 3.4 -62.8 2.6 334 389 A H E +c 204 0A 0 -97,-2.8 -26,-2.7 -2,-0.6 -25,-0.3 -0.682 36.8 157.2 -81.6 113.3 3.7 -66.1 4.4 335 390 A T - 0 0 0 -131,-1.5 2,-0.5 -2,-0.6 -278,-0.1 -0.774 42.5-113.0-133.2 177.2 5.4 -68.7 2.1 336 391 A I > - 0 0 32 -2,-0.2 3,-1.4 -279,-0.2 2,-0.2 -0.959 29.5-132.3-115.3 119.0 7.3 -71.9 2.0 337 392 A K T 3 S+ 0 0 30 -2,-0.5 -283,-0.2 -132,-0.5 3,-0.1 -0.522 96.5 15.8 -70.8 131.5 10.9 -71.8 0.7 338 393 A G T >> S- 0 0 2 -285,-2.5 3,-2.2 -2,-0.2 4,-0.6 0.760 94.0-167.5 75.9 23.4 11.5 -74.6 -1.9 339 394 A Y T <4 + 0 0 28 -3,-1.4 -1,-0.2 -286,-0.5 -281,-0.1 -0.152 66.4 1.6 -47.6 129.8 7.8 -74.9 -2.2 340 395 A G T 34 S+ 0 0 14 1,-0.1 -1,-0.3 -3,-0.1 16,-0.1 0.615 105.7 99.6 65.0 13.1 6.7 -78.1 -4.0 341 396 A M T X4 + 0 0 15 -3,-2.2 3,-1.7 4,-0.3 2,-0.3 0.619 48.4 165.7 -98.8 -20.2 10.3 -79.1 -4.5 342 397 A G T 3< S+ 0 0 45 -4,-0.6 -1,-0.2 1,-0.3 7,-0.1 -0.173 70.1 44.6 44.5 -99.2 10.1 -81.5 -1.6 343 398 A D T 3 S+ 0 0 104 -2,-0.3 -1,-0.3 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36.5 1047 298 B W H <> S+ 0 0 15 -3,-1.2 4,-3.3 62,-0.2 5,-0.3 0.746 85.0 81.4 -78.7 -25.0 4.7 -28.0 34.2 1048 299 B D H <> S+ 0 0 36 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.2 0.898 94.6 43.0 -47.7 -53.0 3.7 -30.5 36.9 1049 300 B E H X S+ 0 0 94 -4,-0.5 4,-2.8 -3,-0.2 5,-0.2 0.939 114.9 51.1 -61.4 -46.5 1.3 -28.1 38.7 1050 301 B L H X S+ 0 0 0 -4,-0.7 4,-0.8 1,-0.2 -2,-0.2 0.928 114.7 42.3 -55.0 -50.0 -0.1 -26.9 35.3 1051 302 B L H < S+ 0 0 39 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.2 51.9 -67.1 -34.4 -0.7 -30.5 34.2 1052 303 B R H < S+ 0 0 210 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.836 112.2 43.3 -72.6 -35.0 -2.0 -31.5 37.6 1053 304 B K H < S+ 0 0 69 -4,-2.8 2,-1.5 -5,-0.2 -1,-0.2 0.548 90.9 95.3 -87.8 -7.0 -4.6 -28.7 37.9 1054 305 B D >< + 0 0 13 -4,-0.8 3,-0.6 -5,-0.2 6,-0.1 -0.635 42.6 162.8 -86.5 85.3 -5.7 -29.2 34.2 1055 306 B T T 3 + 0 0 140 -2,-1.5 -1,-0.2 1,-0.2 -4,-0.0 0.533 64.5 69.6 -80.6 -6.7 -8.7 -31.5 34.8 1056 307 B S T 3 S- 0 0 58 -3,-0.1 -1,-0.2 36,-0.1 -2,-0.1 0.706 97.6-130.4 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-0.513 66.9-141.0 -71.6 132.2 1.4 -28.9 18.3 1067 318 B V > - 0 0 38 -2,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.446 25.4-101.8 -88.3 166.7 4.0 -29.7 15.7 1068 319 B D H > S+ 0 0 0 -47,-3.2 4,-2.4 -50,-0.5 5,-0.2 0.847 115.8 60.7 -56.3 -39.9 7.7 -29.2 16.1 1069 320 B G H > S+ 0 0 23 -50,-2.9 4,-1.6 -48,-0.2 -1,-0.2 0.901 107.3 43.5 -56.4 -45.4 7.9 -26.1 14.0 1070 321 B D H > S+ 0 0 83 -3,-0.5 4,-1.8 -51,-0.3 -1,-0.2 0.839 109.8 55.9 -71.8 -33.5 5.6 -24.1 16.3 1071 322 B Y H X S+ 0 0 9 -4,-1.6 4,-1.1 1,-0.2 3,-0.3 0.955 109.6 47.3 -62.4 -45.7 7.3 -25.4 19.4 1072 323 B Q H < S+ 0 0 26 -4,-2.4 4,-0.5 1,-0.2 3,-0.2 0.856 107.1 57.1 -62.0 -36.2 10.5 -24.0 18.0 1073 324 B T H >< S+ 0 0 46 -4,-1.6 3,-1.2 1,-0.2 4,-0.4 0.884 100.9 59.0 -62.4 -37.1 8.8 -20.8 17.2 1074 325 B F H >< S+ 0 0 26 -4,-1.8 3,-1.1 -3,-0.3 -1,-0.2 0.866 100.8 54.1 -60.5 -39.0 7.8 -20.4 20.8 1075 326 B K T 3< S+ 0 0 58 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.555 104.1 54.9 -75.8 -7.2 11.4 -20.5 22.1 1076 327 B S T < S+ 0 0 85 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.459 110.9 52.5-100.1 -4.5 12.4 -17.6 19.8 1077 328 B K S < S- 0 0 93 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.1 0.326 86.9-103.2-101.2-134.0 9.7 -15.5 21.2 1078 329 B D > - 0 0 82 1,-0.0 4,-1.9 27,-0.0 5,-0.2 -0.856 38.6 -82.1-149.9-178.3 8.7 -14.5 24.8 1079 330 B G H > S+ 0 0 4 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 122.8 54.7 -61.6 -42.8 6.2 -15.2 27.5 1080 331 B A H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.946 108.5 49.9 -55.9 -49.9 3.5 -13.0 26.0 1081 332 B Y H > S+ 0 0 61 1,-0.2 4,-3.3 2,-0.2 3,-0.4 0.921 111.5 46.7 -54.2 -52.2 3.7 -14.8 22.7 1082 333 B V H X>S+ 0 0 15 -4,-1.9 4,-2.9 1,-0.2 5,-1.6 0.893 108.8 56.5 -59.2 -41.6 3.4 -18.2 24.2 1083 334 B R H <5S+ 0 0 68 -4,-2.6 5,-0.3 3,-0.2 -1,-0.2 0.829 116.8 35.4 -59.5 -34.3 0.5 -17.1 26.3 1084 335 B E H <5S+ 0 0 133 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.888 127.5 33.7 -87.6 -45.1 -1.4 -16.0 23.2 1085 336 B H H <5S+ 0 0 57 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.749 130.0 24.6 -87.3 -27.2 -0.3 -18.6 20.7 1086 337 B F T ><5S+ 0 0 5 -4,-2.9 3,-1.1 -5,-0.3 4,-0.2 0.857 135.9 24.2-101.6 -63.3 0.1 -21.8 22.8 1087 338 B F G > S- 0 0 50 -3,-1.3 4,-2.5 -4,-0.2 5,-0.2 -0.953 71.3-128.5-136.2 154.5 -8.1 -22.8 24.3 1091 342 B P H > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.851 111.5 51.1 -68.0 -36.1 -10.1 -21.2 27.1 1092 343 B E H 4 S+ 0 0 73 2,-0.2 4,-0.5 1,-0.2 -36,-0.1 0.866 115.0 41.0 -71.0 -36.8 -9.2 -24.0 29.5 1093 344 B T H >> S+ 0 0 0 -6,-0.2 4,-1.0 2,-0.2 3,-0.8 0.865 111.9 55.2 -78.7 -37.0 -5.5 -23.8 28.7 1094 345 B A H 3< S+ 0 0 35 -4,-2.5 4,-0.4 -7,-0.4 3,-0.3 0.855 105.9 55.2 -61.8 -32.4 -5.5 -20.0 28.7 1095 346 B A T 3< S+ 0 0 59 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.687 95.0 65.6 -74.9 -20.5 -7.0 -20.2 32.2 1096 347 B L T <4 S+ 0 0 13 -3,-0.8 -1,-0.2 -4,-0.5 3,-0.2 0.869 116.6 26.9 -69.8 -35.5 -4.2 -22.4 33.6 1097 348 B V S >< S+ 0 0 0 -4,-1.0 3,-2.3 -3,-0.3 -1,-0.2 0.324 89.0 103.5-109.2 7.3 -1.7 -19.5 33.2 1098 349 B A T 3 S+ 0 0 68 -4,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.840 86.9 49.5 -56.7 -31.3 -4.1 -16.6 33.4 1099 350 B D T 3 S+ 0 0 104 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.3 0.384 99.4 92.5 -87.1 0.8 -2.7 -16.1 37.0 1100 351 B W S < S- 0 0 28 -3,-2.3 2,-0.2 2,-0.0 -3,-0.1 -0.665 75.9-123.3 -98.2 152.7 0.9 -16.3 35.7 1101 352 B T > - 0 0 68 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.626 32.0-111.0 -88.3 153.4 3.1 -13.4 34.6 1102 353 B D H > S+ 0 0 46 1,-0.3 4,-2.4 -2,-0.2 -1,-0.1 0.784 121.7 54.6 -53.6 -26.3 4.5 -13.7 31.1 1103 354 B E H > S+ 0 0 143 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.914 103.8 50.9 -74.5 -44.7 7.8 -14.2 32.7 1104 355 B Q H 4 S+ 0 0 101 -3,-0.3 4,-0.2 1,-0.2 -2,-0.2 0.805 114.4 47.1 -62.2 -28.6 6.6 -17.2 34.8 1105 356 B I H >< S+ 0 0 3 -4,-1.8 3,-1.9 2,-0.2 -2,-0.2 0.910 107.7 53.5 -77.0 -46.2 5.3 -18.6 31.6 1106 357 B W H 3< S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.800 101.7 64.0 -58.8 -26.5 8.5 -17.9 29.7 1107 358 B A T 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.645 71.3 113.9 -73.4 -16.7 10.2 -19.9 32.5 1108 359 B L < - 0 0 22 -3,-1.9 2,-0.2 -4,-0.2 -3,-0.0 -0.381 55.5-162.3 -57.7 130.5 8.5 -23.1 31.6 1109 360 B N - 0 0 29 -2,-0.0 -65,-3.2 2,-0.0 2,-0.2 -0.760 20.0 -98.8-121.5 165.8 11.2 -25.5 30.4 1110 361 B R B > -Z 1043 0M 16 -67,-0.3 3,-2.1 -2,-0.2 -67,-0.4 -0.558 37.4-115.9 -80.9 142.2 11.8 -28.7 28.5 1111 362 B G G > S+ 0 0 0 -69,-2.7 3,-2.1 1,-0.3 7,-0.3 0.771 108.6 67.5 -47.0 -39.3 12.3 -31.9 30.4 1112 363 B G G 3 S+ 0 0 0 26,-2.6 -1,-0.3 -71,-0.5 -247,-0.2 0.442 98.0 55.0 -66.5 1.1 15.9 -32.5 29.2 1113 364 B H G < S+ 0 0 13 -3,-2.1 -1,-0.3 25,-0.3 -2,-0.2 0.334 89.7 86.7-112.2 2.5 17.0 -29.4 31.2 1114 365 B D X> - 0 0 24 -3,-2.1 4,-2.7 -4,-0.2 3,-0.7 -0.906 64.0-156.1-108.4 112.0 15.6 -30.6 34.5 1115 366 B P H 3> S+ 0 0 15 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.849 95.2 53.7 -52.3 -39.3 18.0 -32.7 36.5 1116 367 B K H 3> S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.846 111.5 44.5 -65.5 -36.2 15.2 -34.3 38.4 1117 368 B K H <> S+ 0 0 7 -3,-0.7 4,-1.5 -6,-0.2 -1,-0.2 0.915 115.8 47.5 -72.5 -45.1 13.4 -35.3 35.2 1118 369 B I H X S+ 0 0 3 -4,-2.7 4,-2.1 -7,-0.3 3,-0.3 0.938 110.7 51.8 -59.6 -51.1 16.6 -36.6 33.7 1119 370 B Y H X S+ 0 0 23 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.883 105.3 55.4 -54.5 -45.3 17.6 -38.5 36.8 1120 371 B A H X S+ 0 0 3 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.883 109.2 47.1 -58.2 -41.4 14.2 -40.3 36.9 1121 372 B A H X S+ 0 0 1 -4,-1.5 4,-2.6 -3,-0.3 -1,-0.2 0.919 113.0 46.3 -69.1 -44.6 14.6 -41.6 33.3 1122 373 B F H X S+ 0 0 5 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.895 114.7 48.7 -66.7 -37.0 18.2 -42.8 33.7 1123 374 B K H X S+ 0 0 66 -4,-2.6 4,-0.5 -5,-0.2 3,-0.2 0.938 113.1 46.9 -66.0 -46.2 17.3 -44.5 37.0 1124 375 B K H >< S+ 0 0 48 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.881 108.2 54.4 -63.4 -40.4 14.2 -46.2 35.5 1125 376 B A H >< S+ 0 0 8 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.836 101.3 64.4 -62.4 -28.9 16.2 -47.3 32.5 1126 377 B Q H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.679 104.8 41.7 -67.7 -21.9 18.5 -48.9 35.0 1127 378 B E T << S+ 0 0 122 -3,-1.3 2,-0.6 -4,-0.5 -1,-0.2 0.231 88.8 107.5-111.3 13.1 15.9 -51.3 36.3 1128 379 B T < + 0 0 21 -3,-1.1 2,-0.3 -4,-0.2 3,-0.1 -0.826 48.0 179.4 -94.4 122.7 14.4 -52.2 32.9 1129 380 B K + 0 0 129 -2,-0.6 -130,-0.1 1,-0.1 -131,-0.1 -0.755 51.1 43.1-119.3 167.0 15.3 -55.8 31.8 1130 381 B G S S+ 0 0 33 -132,-0.3 2,-0.3 -2,-0.3 -131,-0.2 0.395 113.6 30.7 82.1 -3.2 14.6 -58.0 28.8 1131 382 B K S S- 0 0 62 -133,-0.3 -136,-0.1 -3,-0.1 -129,-0.1 -0.979 86.0 -87.4-173.0 166.9 15.1 -55.2 26.4 1132 383 B A - 0 0 0 -2,-0.3 -95,-2.6 -141,-0.2 2,-0.4 -0.374 37.3-134.1 -82.2 163.5 16.9 -51.9 25.5 1133 384 B T E -vw10031037J 3 -131,-2.1 -129,-2.9 -134,-0.2 2,-0.5 -0.965 9.3-159.1-126.0 137.4 15.7 -48.5 26.6 1134 385 B V E -vw10041038J 0 -97,-2.7 -95,-3.1 -2,-0.4 2,-0.6 -0.967 6.7-158.5-113.7 128.0 15.5 -45.3 24.6 1135 386 B I E -vw10051039J 2 -131,-3.2 -129,-2.0 -2,-0.5 2,-1.0 -0.937 3.0-158.3-107.8 118.5 15.4 -42.0 26.5 1136 387 B L E -vw10061040J 1 -97,-2.9 -95,-2.4 -2,-0.6 2,-0.6 -0.780 13.5-165.6 -98.7 89.3 13.9 -39.1 24.4 1137 388 B A E -vw10071041J 3 -131,-1.5 -129,-2.9 -2,-1.0 2,-0.6 -0.691 10.4-144.4 -83.0 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