==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-MAY-02 1IWP . COMPND 2 MOLECULE: GLYCEROL DEHYDRATASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR M.YAMANISHI,M.YUNOKI,T.TOBIMATSU,T.TORAYA . 1754 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1213 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 89 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 220 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 619 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.5 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 8 0 4 4 4 11 2 11 5 8 4 5 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 4 8 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 PARALLEL BRIDGES PER LADDER . 9 5 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 2 1 1 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 1 A M 0 0 191 0, 0.0 2,-4.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.0 78.1 -108.9 304.3 2 2 A K + 0 0 131 2,-0.1 2,-0.4 1319,-0.0 1288,-0.1 -0.166 360.0 112.7 -62.2 52.5 81.1 -110.9 305.5 3 3 A R S S- 0 0 114 -2,-4.2 2,-0.4 1319,-0.1 1319,-0.1 -0.982 73.3-110.0-130.1 141.7 83.5 -108.5 303.7 4 4 A S > - 0 0 1 -2,-0.4 4,-1.8 1,-0.2 1319,-0.2 -0.541 14.3-159.1 -72.9 125.3 86.0 -106.0 305.1 5 5 A K H > S+ 0 0 96 1317,-4.0 4,-2.7 -2,-0.4 5,-0.2 0.813 93.9 64.7 -70.7 -28.8 85.0 -102.4 304.6 6 6 A R H > S+ 0 0 0 1317,-0.5 4,-2.1 1316,-0.4 -1,-0.2 0.951 107.9 38.4 -57.1 -50.9 88.7 -101.7 305.1 7 7 A F H > S+ 0 0 29 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.832 110.8 59.5 -71.4 -31.3 89.5 -103.6 301.9 8 8 A A H X S+ 0 0 46 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.947 109.4 44.6 -60.1 -47.0 86.5 -102.3 300.1 9 9 A V H >< S+ 0 0 33 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.926 113.5 50.2 -61.9 -45.7 87.7 -98.8 300.6 10 10 A L H >< S+ 0 0 2 -4,-2.1 3,-1.9 1,-0.2 6,-0.2 0.896 105.1 57.6 -60.1 -40.6 91.2 -99.8 299.6 11 11 A A H 3< S+ 0 0 53 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.798 102.3 55.0 -61.2 -29.4 89.9 -101.5 296.5 12 12 A Q T << S+ 0 0 153 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.408 81.2 124.0 -84.4 2.8 88.4 -98.1 295.4 13 13 A R X - 0 0 37 -3,-1.9 3,-2.2 -4,-0.2 4,-0.2 -0.461 68.6-129.6 -68.0 128.5 91.8 -96.4 295.7 14 14 A P G > S+ 0 0 64 0, 0.0 3,-2.3 0, 0.0 327,-0.3 0.839 104.7 63.9 -43.9 -42.3 92.9 -94.7 292.5 15 15 A V G > S+ 0 0 1 1,-0.3 3,-1.7 326,-0.2 327,-0.1 0.756 89.5 66.5 -58.0 -27.5 96.3 -96.5 292.6 16 16 A N G < S+ 0 0 62 -3,-2.2 -1,-0.3 1,-0.3 4,-0.1 0.458 90.4 65.9 -75.8 3.5 94.6 -99.8 292.2 17 17 A Q G < S+ 0 0 92 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.516 80.3 108.0 -96.1 -8.9 93.7 -98.7 288.7 18 18 A D S < S- 0 0 12 -3,-1.7 2,-1.5 -4,-0.2 690,-0.2 -0.449 81.7-113.2 -70.8 138.6 97.4 -98.6 287.8 19 19 A G + 0 0 24 688,-2.9 2,-0.4 320,-0.3 -1,-0.1 -0.559 46.4 170.1 -77.6 90.4 98.6 -101.3 285.4 20 20 A L + 0 0 17 -2,-1.5 1409,-1.3 1407,-0.2 2,-0.3 -0.831 6.0 179.6-101.4 140.6 100.9 -103.4 287.6 21 21 A I B -a 1429 0A 7 288,-1.6 1409,-0.2 -2,-0.4 3,-0.1 -0.964 30.4-109.6-138.3 155.4 102.2 -106.7 286.4 22 22 A G - 0 0 9 1407,-2.4 2,-0.1 -2,-0.3 1407,-0.1 -0.368 55.1 -83.9 -74.5 164.2 104.5 -109.5 287.6 23 23 A E - 0 0 62 1407,-0.1 7,-0.2 -2,-0.1 -1,-0.1 -0.398 38.7-176.5 -73.5 147.7 107.9 -109.7 285.9 24 24 A W B > > +B 29 0B 64 5,-2.9 5,-2.6 -2,-0.1 3,-1.5 -0.643 2.1 179.8-143.6 77.7 108.2 -111.7 282.6 25 25 A P G > 5S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.746 76.7 66.0 -50.5 -34.6 111.9 -111.6 281.7 26 26 A E G 3 5S+ 0 0 82 1,-0.3 248,-0.4 2,-0.1 246,-0.1 0.851 110.6 36.8 -60.2 -35.9 111.4 -113.6 278.5 27 27 A E G < 5S- 0 0 25 -3,-1.5 -1,-0.3 247,-0.1 243,-0.1 0.124 121.0-106.5-102.3 18.0 109.4 -110.7 277.1 28 28 A G T < 5S+ 0 0 0 -3,-1.6 2,-1.8 1,-0.2 239,-0.2 0.689 72.6 144.7 67.1 17.4 111.6 -108.1 278.7 29 29 A L B < +B 24 0B 6 -5,-2.6 -5,-2.9 247,-0.1 2,-0.3 -0.532 41.6 92.9 -89.8 72.0 108.9 -107.3 281.2 30 30 A I S S- 0 0 10 -2,-1.8 247,-2.6 -7,-0.2 248,-0.3 -0.915 72.0-135.0-161.0 132.6 111.4 -106.6 284.0 31 31 A A S S- 0 0 1 280,-0.5 247,-2.9 -2,-0.3 2,-0.3 0.942 74.4 -30.3 -57.5 -54.0 113.0 -103.3 285.0 32 32 A M S S+ 0 0 9 279,-0.2 -1,-0.1 245,-0.2 245,-0.1 -0.881 106.9 52.4-154.6-179.5 116.5 -104.4 285.4 33 33 A D - 0 0 87 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.886 64.8-173.1 49.2 51.5 118.9 -107.2 286.3 34 34 A S > - 0 0 8 1,-0.1 3,-2.2 -4,-0.1 -1,-0.2 -0.538 31.4-133.1 -76.2 139.2 117.4 -109.7 283.9 35 35 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 240,-0.1 0.713 112.1 53.9 -64.1 -14.5 118.8 -113.3 284.1 36 36 A F T 3 S+ 0 0 92 238,-0.3 239,-0.1 -11,-0.1 -2,-0.0 0.467 86.3 105.6 -95.5 -4.7 119.0 -113.0 280.3 37 37 A D S < S- 0 0 25 -3,-2.2 2,-0.1 1,-0.1 238,-0.0 -0.394 77.3-104.3 -72.9 155.0 121.0 -109.7 280.4 38 38 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 16,-0.1 -0.371 24.7-113.9 -80.9 160.8 124.7 -110.0 279.6 39 39 A V - 0 0 112 14,-0.1 74,-0.1 1,-0.1 73,-0.1 -0.786 44.3-103.2 -90.1 132.6 127.6 -109.9 282.0 40 40 A S + 0 0 20 -2,-0.4 2,-0.3 72,-0.2 -1,-0.1 -0.181 60.2 136.8 -56.2 149.3 129.7 -106.8 281.5 41 41 A S - 0 0 32 10,-0.1 12,-2.6 -3,-0.0 2,-0.3 -0.920 25.1-170.9 177.9 162.4 133.0 -107.3 279.6 42 42 A V E -C 52 0C 21 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.962 4.9-167.3-164.7 152.2 135.2 -105.8 276.9 43 43 A K E -C 51 0C 95 8,-1.5 7,-2.4 -2,-0.3 8,-1.0 -0.939 8.8-156.4-150.0 123.5 138.3 -106.6 274.9 44 44 A V E -C 49 0C 20 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.887 11.0-177.7-103.4 128.0 140.3 -104.3 272.8 45 45 A D E > S-C 48 0C 99 3,-2.6 3,-0.5 -2,-0.5 -2,-0.0 -0.953 72.5 -21.7-128.8 110.9 142.4 -105.7 270.0 46 46 A N T 3 S- 0 0 157 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.934 128.1 -47.9 57.7 49.8 144.6 -103.3 268.0 47 47 A G T 3 S+ 0 0 59 1,-0.1 2,-0.4 27,-0.1 -1,-0.2 0.682 120.0 104.5 67.3 20.0 142.5 -100.3 268.9 48 48 A L E < S-C 45 0C 66 -3,-0.5 -3,-2.6 26,-0.1 2,-0.7 -0.986 74.0-124.2-136.7 126.2 139.2 -102.0 268.1 49 49 A I E +C 44 0C 0 -2,-0.4 -5,-0.2 19,-0.3 3,-0.1 -0.562 35.8 167.5 -69.9 112.1 136.7 -103.4 270.6 50 50 A V E + 0 0 37 -7,-2.4 7,-2.1 -2,-0.7 2,-0.3 0.301 63.8 46.6-107.7 4.7 136.3 -107.0 269.5 51 51 A E E +CD 43 56C 43 -8,-1.0 -8,-1.5 5,-0.3 2,-0.4 -0.938 60.5 174.9-150.7 123.0 134.4 -108.1 272.6 52 52 A L E -C 42 0C 0 3,-3.0 3,-0.3 -2,-0.3 -10,-0.2 -0.925 68.6 -29.4-138.6 113.0 131.5 -106.4 274.3 53 53 A D S S- 0 0 4 -12,-2.6 -14,-0.1 -2,-0.4 -13,-0.1 0.916 128.0 -39.1 48.9 56.6 129.5 -107.8 277.2 54 54 A G S S+ 0 0 55 1,-0.2 2,-0.4 -16,-0.1 -1,-0.2 0.673 117.6 113.9 72.4 19.7 130.0 -111.4 276.4 55 55 A K - 0 0 41 -3,-0.3 -3,-3.0 -14,-0.1 -1,-0.2 -0.982 59.2-139.9-127.4 128.0 129.7 -110.9 272.7 56 56 A R B >> -D 51 0C 134 -2,-0.4 3,-2.7 -5,-0.2 4,-0.7 -0.522 32.3-108.6 -79.7 154.1 132.4 -111.3 270.1 57 57 A R G >4 S+ 0 0 60 -7,-2.1 3,-1.0 1,-0.3 -6,-0.1 0.827 120.5 57.3 -52.2 -36.0 132.6 -108.7 267.3 58 58 A D G 34 S+ 0 0 123 1,-0.3 -1,-0.3 -8,-0.2 -7,-0.0 0.438 106.0 52.0 -77.8 4.2 131.4 -111.2 264.7 59 59 A Q G <4 S+ 0 0 83 -3,-2.7 -1,-0.3 2,-0.1 -2,-0.2 0.492 85.9 123.0-109.2 -13.4 128.3 -111.7 267.0 60 60 A F << - 0 0 12 -3,-1.0 2,-0.2 -4,-0.7 -3,-0.0 -0.153 49.1-151.9 -54.6 138.3 127.6 -107.9 267.1 61 61 A D > - 0 0 6 1,-0.0 4,-2.7 811,-0.0 5,-0.2 -0.493 45.7 -84.3 -97.7 175.9 124.3 -106.6 266.0 62 62 A M H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 131.6 49.2 -49.0 -40.5 124.0 -103.0 264.6 63 63 A I H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.940 109.8 48.6 -67.9 -49.4 123.8 -101.6 268.2 64 64 A D H > S+ 0 0 2 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.946 115.3 47.2 -55.4 -47.8 126.8 -103.6 269.6 65 65 A R H X S+ 0 0 32 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.940 113.5 45.1 -61.6 -49.8 128.8 -102.5 266.6 66 66 A F H X>S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.2 5,-0.7 0.948 117.2 46.4 -59.7 -48.1 127.8 -98.8 266.7 67 67 A I H X>S+ 0 0 0 -4,-3.1 4,-1.6 3,-0.2 5,-0.8 0.947 113.5 48.5 -58.6 -50.1 128.4 -98.8 270.5 68 68 A A H <5S+ 0 0 0 -4,-3.4 -19,-0.3 -5,-0.3 4,-0.3 0.902 119.8 37.2 -58.8 -42.8 131.7 -100.6 270.2 69 69 A D H <5S+ 0 0 39 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.603 135.0 15.0 -89.2 -12.1 133.0 -98.3 267.5 70 70 A Y H <5S+ 0 0 40 -4,-1.9 -3,-0.2 -3,-0.3 -2,-0.2 0.643 119.2 52.7-131.0 -28.0 131.6 -94.9 268.6 71 71 A A T <> - 0 0 36 34,-2.3 4,-2.4 -2,-0.4 3,-1.5 -0.596 30.2-168.5 -74.9 95.9 136.8 -95.0 274.9 74 74 A V H 3> S+ 0 0 33 -2,-1.5 4,-0.6 1,-0.3 -1,-0.2 0.850 80.0 57.1 -53.6 -42.4 138.7 -97.9 273.4 75 75 A E H 34 S+ 0 0 175 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.625 122.3 25.3 -69.4 -12.0 142.1 -96.8 274.8 76 76 A R H <> S+ 0 0 98 -3,-1.5 4,-2.8 31,-0.1 5,-0.3 0.543 95.3 90.9-126.1 -14.3 140.8 -96.8 278.4 77 77 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.1 0.872 85.3 54.1 -54.0 -43.9 137.9 -99.3 278.4 78 78 A E H < S+ 0 0 69 -4,-0.6 -1,-0.2 2,-0.2 4,-0.1 0.927 115.2 40.0 -59.6 -44.0 140.0 -102.3 279.3 79 79 A Q H >4 S+ 0 0 123 -3,-0.2 3,-2.4 1,-0.2 4,-0.4 0.968 116.4 48.8 -67.8 -53.0 141.4 -100.6 282.4 80 80 A A H >< S+ 0 0 12 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.868 106.1 58.7 -53.0 -40.9 138.2 -98.9 283.4 81 81 A M T 3< S+ 0 0 22 -4,-2.8 -1,-0.3 27,-0.3 -2,-0.2 0.537 91.4 70.9 -69.3 -5.3 136.4 -102.2 283.0 82 82 A R T < S+ 0 0 176 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.622 79.6 95.4 -84.5 -14.0 138.8 -103.7 285.6 83 83 A L S < S- 0 0 51 -3,-1.8 2,-0.1 -4,-0.4 3,-0.0 -0.505 86.1-112.3 -75.5 144.9 137.0 -101.6 288.3 84 84 A E > - 0 0 126 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.464 20.8-122.7 -73.0 152.7 134.3 -103.4 290.2 85 85 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.921 114.5 51.8 -62.1 -42.9 130.7 -102.1 289.5 86 86 A V H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.804 105.0 56.9 -64.7 -28.7 130.3 -101.4 293.2 87 87 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 108.5 45.1 -68.8 -41.3 133.5 -99.4 293.2 88 88 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.917 110.8 55.7 -66.4 -39.9 132.1 -97.2 290.4 89 89 A A H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.908 108.1 48.0 -57.0 -44.1 128.9 -97.0 292.5 90 90 A R H >X S+ 0 0 52 -4,-2.3 4,-1.4 1,-0.2 3,-0.9 0.915 107.6 54.6 -64.4 -42.7 130.9 -95.8 295.4 91 91 A M H 3< S+ 0 0 27 -4,-2.3 3,-0.4 1,-0.2 6,-0.3 0.904 101.1 61.3 -56.4 -41.2 132.7 -93.2 293.3 92 92 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 116.8 29.4 -56.4 -32.7 129.3 -91.9 292.2 93 93 A V H << S+ 0 0 1 -3,-0.9 2,-0.8 -4,-0.9 882,-0.3 0.476 94.9 109.3-106.8 -3.4 128.4 -91.0 295.8 94 94 A D >< - 0 0 12 -4,-1.4 3,-2.5 -3,-0.4 880,-0.1 -0.633 58.8-153.4 -78.5 109.0 131.9 -90.3 297.0 95 95 A I T 3 S+ 0 0 7 -2,-0.8 -1,-0.2 1,-0.3 879,-0.1 0.643 92.8 60.9 -58.2 -14.3 132.3 -86.6 297.6 96 96 A H T 3 S+ 0 0 109 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.544 90.6 77.9 -89.9 -7.3 136.1 -86.9 296.9 97 97 A V S < S- 0 0 20 -3,-2.5 2,-0.1 -6,-0.3 -1,-0.0 -0.916 77.7-141.8-105.5 121.3 135.6 -88.2 293.4 98 98 A S > - 0 0 19 -2,-0.6 4,-1.8 1,-0.1 3,-0.2 -0.304 23.1-113.8 -75.8 162.8 134.7 -85.4 290.9 99 99 A R H > S+ 0 0 9 426,-0.3 4,-3.0 1,-0.2 5,-0.2 0.849 118.3 59.0 -65.5 -30.1 132.2 -85.9 288.1 100 100 A E H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 104.3 47.3 -65.4 -40.4 135.1 -85.5 285.7 101 101 A E H > S+ 0 0 95 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.883 114.6 47.5 -69.1 -37.8 137.0 -88.5 287.2 102 102 A I H >X S+ 0 0 1 -4,-1.8 4,-3.1 1,-0.2 3,-1.4 0.938 110.2 51.9 -66.5 -46.5 133.8 -90.6 287.1 103 103 A I H 3X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.3 -2,-0.2 0.882 102.3 59.5 -56.8 -40.6 133.2 -89.5 283.5 104 104 A A H 3< S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.755 115.5 37.6 -60.6 -22.2 136.7 -90.5 282.5 105 105 A I H X< S+ 0 0 30 -3,-1.4 3,-1.5 -4,-0.6 -2,-0.2 0.876 115.1 48.0 -95.5 -49.3 135.7 -94.0 283.7 106 106 A T H >< S+ 0 0 0 -4,-3.1 3,-2.1 1,-0.3 -3,-0.2 0.862 104.8 59.6 -63.6 -36.5 132.1 -94.3 282.6 107 107 A T T 3< S+ 0 0 24 -4,-2.4 -34,-2.3 1,-0.3 -1,-0.3 0.484 108.5 50.3 -71.4 2.5 132.8 -93.2 279.1 108 108 A A T < S+ 0 0 0 -3,-1.5 -27,-0.3 -36,-0.2 -1,-0.3 0.152 99.4 80.9-122.6 13.4 135.1 -96.1 279.1 109 109 A I S < S- 0 0 0 -3,-2.1 -36,-0.1 -29,-0.1 -32,-0.1 -0.593 75.3-107.1-113.1 179.8 132.7 -98.8 280.3 110 110 A T > - 0 0 0 -2,-0.2 4,-2.3 -33,-0.1 5,-0.2 -0.508 29.7-103.0-105.2 171.2 130.0 -100.9 278.6 111 111 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.907 124.5 46.2 -57.9 -40.9 126.2 -100.9 278.6 112 112 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -72,-0.2 0.896 108.7 54.8 -68.9 -41.0 126.2 -103.9 280.9 113 113 A K H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 106.2 53.6 -58.0 -44.0 128.8 -102.3 283.2 114 114 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.886 110.1 44.8 -60.1 -43.3 126.7 -99.3 283.6 115 115 A V H X S+ 0 0 10 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.852 109.8 55.4 -72.1 -33.4 123.6 -101.2 284.7 116 116 A E H X S+ 0 0 48 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.872 106.3 52.5 -65.5 -34.8 125.6 -103.4 287.1 117 117 A V H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.921 109.4 49.1 -64.7 -41.5 126.8 -100.1 288.7 118 118 A M H >< S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.832 99.9 66.0 -66.0 -32.7 123.2 -99.1 289.1 119 119 A A H 3< S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 96.0 58.1 -60.9 -24.0 122.3 -102.5 290.6 120 120 A Q T << S+ 0 0 75 -3,-1.0 1289,-0.5 -4,-0.7 2,-0.4 0.460 96.8 81.7 -86.4 1.0 124.6 -101.5 293.6 121 121 A M < - 0 0 1 -3,-1.9 2,-0.2 1287,-0.1 198,-0.1 -0.861 60.9-151.2-118.8 142.4 122.6 -98.4 294.4 122 122 A N > - 0 0 24 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.517 45.5 -95.5 -93.0 170.4 119.4 -97.6 296.3 123 123 A V H > S+ 0 0 1 1152,-0.5 4,-2.2 1,-0.2 5,-0.2 0.824 124.0 55.5 -59.8 -33.8 117.4 -94.5 295.3 124 124 A V H > S+ 0 0 0 1111,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 109.4 48.8 -63.9 -41.4 119.0 -92.2 297.9 125 125 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.899 110.3 50.1 -64.3 -42.2 122.4 -93.1 296.5 126 126 A M H X S+ 0 0 0 -4,-2.0 4,-3.6 2,-0.2 -1,-0.2 0.886 111.5 48.1 -64.9 -39.9 121.4 -92.5 292.9 127 127 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 111.4 50.6 -66.5 -41.3 120.0 -89.1 293.9 128 128 A M H X S+ 0 0 3 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.926 117.1 41.5 -59.4 -44.7 123.2 -88.3 295.7 129 129 A A H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.9 0.897 110.2 56.6 -70.0 -43.7 125.1 -89.3 292.6 130 130 A L H 3X S+ 0 0 0 -4,-3.6 4,-2.3 1,-0.3 -2,-0.2 0.881 100.9 57.6 -58.1 -39.6 122.7 -87.6 290.2 131 131 A Q H 3< S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.2 401,-0.2 0.790 113.3 40.9 -64.2 -25.5 123.2 -84.3 291.8 132 132 A K H << S+ 0 0 4 -3,-0.9 393,-0.4 -4,-0.6 -2,-0.2 0.862 115.4 48.8 -87.9 -39.5 126.9 -84.6 291.2 133 133 A M H < S+ 0 0 1 -4,-2.8 -2,-0.2 -41,-0.1 -3,-0.2 0.747 79.3 115.6 -73.0 -24.4 126.7 -86.1 287.7 134 134 A R < - 0 0 10 -4,-2.3 389,-0.2 -5,-0.2 196,-0.1 -0.212 60.3-147.2 -47.0 130.6 124.2 -83.5 286.4 135 135 A A S S+ 0 0 0 194,-0.3 388,-2.0 387,-0.1 2,-0.3 0.966 76.8 59.2 -70.0 -55.3 126.1 -81.6 283.7 136 136 A R B S-E 522 0D 0 386,-0.2 386,-0.2 1,-0.1 382,-0.1 -0.572 77.6-137.8 -80.1 140.1 124.6 -78.1 284.0 137 137 A R S S+ 0 0 70 384,-3.1 395,-0.2 -2,-0.3 -1,-0.1 0.944 91.0 51.1 -58.8 -53.4 125.0 -76.4 287.4 138 138 A T S S- 0 0 47 383,-0.3 -1,-0.1 -3,-0.0 -2,-0.1 -0.778 87.3-131.3 -93.5 122.2 121.4 -75.0 287.5 139 139 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 220,-0.2 -0.315 28.7-167.8 -67.7 154.9 118.6 -77.5 286.9 140 140 A S E -f 360 0E 10 219,-1.1 221,-2.5 218,-0.9 222,-0.4 -0.709 10.0-126.1-132.3-173.3 116.0 -76.5 284.4 141 141 A N E - 0 0 0 25,-0.3 27,-2.2 219,-0.3 28,-1.3 -0.994 7.1-160.0-144.6 147.8 112.6 -77.5 283.1 142 142 A Q E -fg 363 169E 0 220,-2.0 223,-3.2 -2,-0.3 222,-1.4 -0.961 15.8-165.0-125.2 141.3 110.8 -78.4 279.9 143 143 A C E -fg 365 170E 0 26,-2.0 28,-2.8 -2,-0.4 2,-0.4 -0.833 20.1-118.8-126.0 164.8 107.0 -78.4 279.4 144 144 A H E -fg 366 171E 0 221,-3.0 223,-2.0 -2,-0.3 2,-0.4 -0.789 20.2-169.5 -98.1 142.4 104.4 -79.7 277.0 145 145 A V + 0 0 0 26,-2.8 28,-0.3 -2,-0.4 2,-0.3 -0.891 38.3 116.7-134.1 100.0 102.3 -77.1 275.2 146 146 A T - 0 0 0 -2,-0.4 2,-0.3 26,-0.2 226,-0.1 -0.899 37.2-162.9-151.2 176.2 99.5 -78.9 273.3 147 147 A N > - 0 0 0 -2,-0.3 3,-2.2 26,-0.3 28,-0.2 -0.951 37.9-102.6-166.2 152.5 95.7 -79.2 273.2 148 148 A L T 3 S+ 0 0 31 -2,-0.3 551,-0.3 1,-0.3 27,-0.1 0.818 119.9 44.2 -45.7 -41.9 93.1 -81.6 271.9 149 149 A K T 3 S- 0 0 99 549,-0.1 -1,-0.3 26,-0.1 303,-0.1 0.294 103.6-123.0 -92.8 10.1 92.2 -79.4 268.9 150 150 A D < - 0 0 0 -3,-2.2 -2,-0.1 1,-0.2 3,-0.0 0.855 46.4-175.8 49.8 33.4 95.8 -78.5 267.9 151 151 A N > - 0 0 3 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.511 22.3-159.4 -67.7 114.7 94.5 -75.0 268.5 152 152 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 90.9 54.4 -63.9 -35.9 97.2 -72.4 267.5 153 153 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.935 112.6 42.0 -67.0 -44.6 95.6 -69.7 269.5 154 154 A Q H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.896 112.6 55.5 -68.7 -39.6 95.6 -71.8 272.7 155 155 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.954 107.7 47.7 -57.3 -52.2 99.1 -73.1 272.0 156 156 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.934 114.4 47.1 -55.0 -49.5 100.6 -69.6 271.7 157 157 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.932 113.1 46.8 -58.8 -50.6 98.9 -68.5 275.0 158 158 A D H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.870 111.5 53.2 -61.4 -35.1 99.9 -71.6 276.9 159 159 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.924 108.6 49.2 -65.3 -44.2 103.4 -71.2 275.6 160 160 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.946 114.6 45.1 -60.7 -48.0 103.6 -67.6 276.8 161 161 A E H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.932 110.9 52.0 -61.1 -47.4 102.3 -68.6 280.2 162 162 A A H <>S+ 0 0 0 -4,-3.0 5,-1.5 1,-0.2 4,-0.5 0.854 107.1 57.8 -58.2 -33.0 104.6 -71.6 280.5 163 163 A G H ><5S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.931 106.6 43.0 -65.3 -47.2 107.4 -69.2 279.6 164 164 A I H 3<5S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 105.8 65.7 -71.5 -21.6 106.9 -66.8 282.5 165 165 A R T 3<5S- 0 0 3 -4,-1.7 237,-2.4 -5,-0.2 -1,-0.3 0.676 123.8-102.5 -72.4 -14.7 106.4 -69.8 284.8 166 166 A G T < 5 + 0 0 14 -3,-1.2 -25,-0.3 -4,-0.5 -3,-0.2 0.298 66.7 149.5 117.4 -13.3 110.1 -70.6 284.1 167 167 A F < - 0 0 0 -5,-1.5 -1,-0.3 1,-0.2 -25,-0.2 -0.322 27.8-164.9 -56.9 131.5 110.3 -73.4 281.5 168 168 A S S S+ 0 0 2 -27,-2.2 31,-2.5 1,-0.1 2,-0.3 0.626 76.2 36.8 -91.4 -16.6 113.4 -73.1 279.4 169 169 A E E -gh 142 199E 0 -28,-1.3 -26,-2.0 29,-0.2 2,-0.4 -0.980 66.7-165.4-135.8 147.1 112.1 -75.5 276.8 170 170 A Q E -gh 143 200E 0 29,-2.5 31,-1.9 -2,-0.3 2,-0.4 -0.999 4.8-165.6-136.9 137.0 108.7 -76.1 275.4 171 171 A E E +gh 144 201E 2 -28,-2.8 -26,-2.8 -2,-0.4 2,-0.3 -0.975 6.8 178.8-128.4 134.8 107.5 -79.0 273.4 172 172 A T E + h 0 202E 0 29,-2.3 31,-2.4 -2,-0.4 2,-0.3 -0.806 1.6 174.5-125.5 167.6 104.4 -79.5 271.3 173 173 A T - 0 0 18 -28,-0.3 2,-0.3 -2,-0.3 -26,-0.3 -0.886 25.1-104.7-155.4-176.2 103.0 -82.3 269.2 174 174 A V - 0 0 22 29,-0.5 3,-0.2 -2,-0.3 -26,-0.1 -0.913 15.3-159.3-132.3 153.6 99.8 -83.0 267.3 175 175 A G S S+ 0 0 10 -2,-0.3 2,-0.7 1,-0.3 491,-0.4 0.833 104.9 41.1 -84.0 -39.5 96.6 -85.0 267.3 176 176 A I S > S- 0 0 16 1,-0.2 3,-3.1 -3,-0.1 4,-0.3 -0.919 82.9-148.2-111.5 106.2 96.4 -84.5 263.5 177 177 A A G > S+ 0 0 30 -2,-0.7 3,-2.2 1,-0.3 -1,-0.2 0.821 94.8 63.1 -39.2 -48.0 99.9 -84.9 262.0 178 178 A R G 3 S+ 0 0 61 486,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.659 92.4 66.7 -56.1 -17.4 99.1 -82.3 259.3 179 179 A Y G X> S+ 0 0 2 -3,-3.1 4,-2.0 1,-0.2 3,-1.3 0.634 70.5 101.9 -79.6 -14.2 98.7 -79.6 262.0 180 180 A A H <> S+ 0 0 1 -3,-2.2 4,-2.9 -4,-0.3 5,-0.3 0.797 75.0 53.4 -39.9 -50.7 102.4 -79.8 262.9 181 181 A P H 3> S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.888 111.8 46.6 -58.3 -37.2 103.6 -76.6 261.1 182 182 A F H <> S+ 0 0 0 -3,-1.3 4,-3.3 -4,-0.2 5,-0.3 0.910 112.5 48.9 -70.4 -42.4 100.9 -74.6 262.9 183 183 A N H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.944 114.6 45.9 -60.9 -47.6 101.7 -76.1 266.3 184 184 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.943 115.7 46.4 -58.6 -51.0 105.4 -75.4 265.8 185 185 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.939 114.8 45.3 -57.0 -53.4 104.7 -71.9 264.5 186 186 A A H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.3 0.871 113.2 52.0 -60.5 -38.3 102.2 -71.0 267.3 187 187 A L H X S+ 0 0 1 -4,-2.6 4,-3.1 -5,-0.3 5,-0.2 0.940 108.3 50.5 -64.7 -46.6 104.6 -72.5 269.8 188 188 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 29,-0.3 -2,-0.2 0.947 115.0 42.4 -57.0 -51.3 107.5 -70.4 268.6 189 189 A V H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.952 117.4 45.6 -61.8 -51.7 105.6 -67.2 268.7 190 190 A G H >X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-1.1 0.908 110.2 54.6 -59.3 -43.5 104.0 -67.9 272.0 191 191 A S H 3X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.3 3,-0.3 0.909 108.1 48.7 -57.9 -44.5 107.2 -69.0 273.6 192 192 A Q H 3< S+ 0 0 1 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.611 107.8 57.4 -73.3 -10.3 109.0 -65.8 272.7 193 193 A C H << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.789 110.5 41.0 -87.0 -32.4 106.1 -63.8 274.1 194 194 A G H < S- 0 0 9 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.944 137.0 -5.6 -80.9 -53.5 106.3 -65.4 277.6 195 195 A R S >< S- 0 0 22 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.3 -0.897 74.9-125.3-147.8 113.2 110.0 -65.5 278.0 196 196 A P T 3 S+ 0 0 15 0, 0.0 317,-0.3 0, 0.0 -4,-0.1 -0.330 96.7 34.3 -56.9 134.0 112.5 -64.5 275.3 197 197 A G T 3 S+ 0 0 0 1,-0.3 312,-0.4 315,-0.1 2,-0.2 0.279 76.8 146.0 103.6 -11.0 115.0 -67.3 274.7 198 198 A V < - 0 0 0 -3,-1.7 -1,-0.3 -7,-0.3 2,-0.2 -0.449 45.6-131.7 -65.6 127.4 112.6 -70.2 275.4 199 199 A L E -h 169 0E 0 -31,-2.5 -29,-2.5 -2,-0.2 2,-0.4 -0.567 23.1-161.4 -80.7 142.3 113.5 -73.2 273.1 200 200 A T E +h 170 0E 1 -2,-0.2 19,-2.7 -31,-0.2 20,-1.3 -0.967 11.7 179.0-132.0 145.5 110.7 -74.9 271.2 201 201 A Q E -h 171 0E 0 -31,-1.9 -29,-2.3 -2,-0.4 2,-0.5 -0.951 19.6-147.2-138.9 156.0 110.3 -78.2 269.5 202 202 A C E -h 172 0E 0 18,-0.4 2,-0.8 -2,-0.3 -29,-0.2 -0.916 20.0-146.8-129.6 102.6 107.6 -80.0 267.6 203 203 A S + 0 0 9 -31,-2.4 -29,-0.5 -2,-0.5 2,-0.2 -0.590 46.2 116.2 -78.3 105.6 107.7 -83.8 268.2 204 204 A V - 0 0 30 -2,-0.8 5,-0.1 1,-0.2 458,-0.1 -0.706 69.6 -26.2-146.7-166.3 106.5 -85.7 265.1 205 205 A E > - 0 0 16 -2,-0.2 4,-2.8 456,-0.1 5,-0.2 -0.231 68.0-114.4 -53.2 141.0 107.9 -88.1 262.5 206 206 A E H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.889 111.2 41.1 -46.2 -62.8 111.7 -87.7 262.1 207 207 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 115.7 53.3 -56.5 -43.0 112.0 -86.4 258.5 208 208 A T H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 110.8 46.2 -56.5 -49.2 109.0 -84.2 259.1 209 209 A E H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.895 108.8 53.5 -63.3 -43.1 110.6 -82.7 262.2 210 210 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.943 109.1 51.3 -58.2 -44.6 114.0 -82.1 260.6 211 211 A E H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.927 107.2 51.9 -57.9 -46.4 112.2 -80.2 257.9 212 212 A L H <>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 6,-0.5 0.904 113.3 46.4 -56.9 -40.4 110.4 -78.1 260.5 213 213 A G H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.879 108.5 52.9 -70.4 -38.7 113.7 -77.3 262.0 214 214 A M H 3<5S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.4 52.8 -64.9 -31.9 115.4 -76.6 258.7 215 215 A R T 3<5S- 0 0 48 -4,-2.1 256,-1.6 -5,-0.2 -1,-0.3 0.283 117.5-116.0 -86.2 10.6 112.6 -74.1 258.0 216 216 A G T < 5S+ 0 0 4 -3,-1.6 -3,-0.2 254,-0.2 -2,-0.1 0.820 78.9 127.0 60.8 34.2 113.3 -72.4 261.3 217 217 A L S S- 0 0 0 1,-0.1 4,-2.3 -166,-0.1 5,-0.2 -0.979 77.6-123.5-138.6 152.4 117.2 -103.7 269.9 230 230 A E H > S+ 0 0 19 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.922 110.5 54.3 -59.1 -45.2 117.5 -103.9 266.1 231 231 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 111.7 42.1 -57.4 -48.8 113.9 -105.0 265.7 232 232 A V H > S+ 0 0 0 39,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.882 112.2 54.9 -68.1 -35.6 112.5 -102.1 267.7 233 233 A F H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.3 0.931 107.5 52.5 -60.5 -42.0 114.8 -99.7 265.9 234 234 A T H ><5S+ 0 0 17 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.909 109.7 45.5 -60.8 -43.9 113.4 -101.1 262.7 235 235 A D H 3<5S+ 0 0 18 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.680 107.8 59.1 -73.4 -14.7 109.9 -100.5 263.8 236 236 A G T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.497 117.2-123.8 -85.6 -5.9 111.2 -97.1 264.9 237 237 A D T < 5S+ 0 0 1 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.849 75.8 81.9 65.0 41.8 112.1 -96.7 261.2 238 238 A D < - 0 0 0 -5,-2.0 -1,-0.3 595,-0.2 -2,-0.2 -0.933 58.8-146.4-156.9 174.3 115.8 -96.1 261.8 239 239 A T > - 0 0 0 -2,-0.3 4,-2.1 -3,-0.1 5,-0.3 -0.830 46.4 -93.8-137.6 170.9 119.2 -97.7 262.5 240 240 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.796 127.1 50.5 -62.2 -24.1 122.0 -96.3 264.6 241 241 A W H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.919 108.5 46.8 -79.9 -44.0 123.5 -94.9 261.4 242 242 A S H > S+ 0 0 0 590,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.859 117.5 45.7 -65.8 -33.3 120.4 -93.2 260.0 243 243 A K H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.856 111.8 50.5 -77.5 -34.6 119.8 -91.6 263.5 244 244 A A H X S+ 0 0 1 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.899 112.3 47.6 -68.2 -39.9 123.5 -90.7 263.9 245 245 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.923 110.5 53.4 -65.5 -42.1 123.3 -89.0 260.4 246 246 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.940 107.7 48.8 -56.6 -50.4 120.1 -87.3 261.5 247 247 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.903 112.5 50.8 -55.3 -40.9 121.8 -85.9 264.6 248 248 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.869 106.5 53.8 -63.8 -39.1 124.5 -84.8 262.3 249 249 A A H X S+ 0 0 0 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.933 108.5 49.7 -62.3 -46.3 122.0 -83.2 260.0 250 250 A Y H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-1.4 0.946 112.9 45.4 -57.3 -50.8 120.5 -81.2 262.9 251 251 A A H ><5S+ 0 0 3 -4,-2.3 3,-2.5 1,-0.3 -1,-0.2 0.884 104.5 63.2 -60.6 -39.3 124.0 -80.0 264.0 252 252 A S H 3<5S+ 0 0 0 -4,-2.6 535,-0.3 1,-0.3 -1,-0.3 0.617 105.9 46.3 -61.6 -14.3 124.9 -79.2 260.4 253 253 A R T <<5S- 0 0 1 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.306 120.3-110.9-108.0 4.1 122.0 -76.6 260.5 254 254 A G T < 5 + 0 0 0 -3,-2.5 2,-0.5 1,-0.3 246,-0.2 0.766 69.9 148.9 71.4 26.2 123.2 -75.3 263.9 255 255 A L < - 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0 0 10 -5,-1.5 2,-1.0 -6,-0.2 -1,-0.3 -0.981 53.5-129.0-120.3 128.2 114.7 -77.4 296.3 398 398 A D + 0 0 13 -2,-0.4 141,-0.0 1,-0.2 -5,-0.0 -0.689 27.1 179.1 -79.8 105.9 114.9 -75.5 293.1 399 399 A G - 0 0 0 -2,-1.0 -1,-0.2 2,-0.3 3,-0.1 0.396 46.8-113.4 -87.6 1.8 112.2 -77.1 290.9 400 400 A G S S+ 0 0 14 1,-0.2 2,-0.3 -261,-0.1 -259,-0.2 0.545 86.6 93.6 80.4 5.3 112.9 -74.8 288.0 401 401 A L - 0 0 3 -13,-0.1 -2,-0.3 -261,-0.1 -235,-0.2 -0.971 53.7-162.2-131.3 148.3 109.4 -73.2 288.2 402 402 A R - 0 0 71 -237,-2.4 140,-0.1 -2,-0.3 2,-0.1 -0.831 29.3 -94.7-125.3 162.4 108.3 -70.0 289.9 403 403 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 141,-0.0 -0.433 38.7-166.2 -76.0 154.6 104.9 -68.6 290.9 404 404 A V - 0 0 13 -2,-0.1 2,-0.2 142,-0.1 -239,-0.0 -0.951 17.4-116.3-136.9 156.3 103.1 -66.2 288.6 405 405 A T > - 0 0 62 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.611 20.2-122.9 -94.4 156.3 100.1 -63.8 289.1 406 406 A E H > S+ 0 0 62 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.916 112.0 54.9 -59.8 -42.4 96.8 -64.1 287.3 407 407 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 109.9 42.3 -59.0 -48.5 97.3 -60.5 286.0 408 408 A E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.705 116.2 51.6 -74.0 -19.0 100.7 -61.1 284.4 409 409 A T H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 5,-0.3 0.915 109.2 47.1 -81.2 -47.7 99.5 -64.4 283.0 410 410 A I H X S+ 0 0 26 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.925 115.7 49.0 -58.0 -42.3 96.3 -63.0 281.4 411 411 A A H X S+ 0 0 54 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.919 114.1 42.8 -63.7 -46.6 98.5 -60.2 280.0 412 412 A I H X S+ 0 0 28 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.882 116.5 48.1 -70.0 -36.7 101.2 -62.6 278.6 413 413 A R H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.922 111.0 51.0 -68.4 -43.7 98.6 -65.0 277.3 414 414 A Q H X S+ 0 0 62 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.927 111.1 48.6 -59.0 -46.3 96.6 -62.1 275.7 415 415 A K H X S+ 0 0 69 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.917 112.1 48.1 -61.1 -44.6 99.7 -60.8 274.0 416 416 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.920 111.6 50.4 -62.4 -43.5 100.7 -64.3 272.7 417 417 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.874 114.0 44.5 -62.3 -39.1 97.1 -64.8 271.4 418 418 A R H X S+ 0 0 120 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.889 111.9 54.0 -72.8 -37.7 97.2 -61.4 269.6 419 419 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.951 112.3 41.5 -60.6 -52.2 100.7 -62.1 268.3 420 420 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.887 113.0 56.7 -64.9 -35.3 99.8 -65.4 266.7 421 421 A Q H X S+ 0 0 39 -4,-1.7 4,-2.6 -5,-0.3 11,-0.2 0.966 109.6 44.2 -57.0 -53.5 96.6 -63.8 265.5 422 422 A A H X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.792 110.7 55.3 -62.0 -31.4 98.5 -61.1 263.7 423 423 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.896 110.3 45.6 -70.6 -37.6 100.9 -63.7 262.4 424 424 A F H <>S+ 0 0 0 -4,-2.4 5,-3.5 2,-0.2 4,-0.4 0.917 113.6 48.6 -70.1 -43.1 98.0 -65.6 260.9 425 425 A R H ><5S+ 0 0 136 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.935 114.4 46.6 -61.1 -46.5 96.4 -62.5 259.4 426 426 A E H 3<5S+ 0 0 65 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 113.2 46.5 -62.7 -46.1 99.7 -61.4 257.9 427 427 A L T 3<5S- 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.418 114.8-116.2 -79.0 3.7 100.6 -64.7 256.4 428 428 A G T < 5 + 0 0 62 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.882 63.8 151.4 64.4 38.3 97.1 -65.0 255.0 429 429 A L < - 0 0 12 -5,-3.5 -1,-0.2 1,-0.2 3,-0.1 -0.504 59.8 -61.4 -95.2 167.4 96.3 -68.0 257.2 430 430 A P S S- 0 0 9 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.176 73.8 -93.9 -47.9 137.6 92.9 -69.0 258.4 431 431 A P - 0 0 93 0, 0.0 2,-0.6 0, 0.0 -10,-0.1 -0.193 24.4-149.8 -60.4 144.9 91.6 -66.2 260.7 432 432 A I - 0 0 10 -11,-0.2 -7,-0.1 -3,-0.1 2,-0.1 -0.974 27.9-143.3-112.6 107.7 92.1 -66.2 264.4 433 433 A A >> - 0 0 35 -2,-0.6 4,-2.3 1,-0.1 3,-1.2 -0.355 20.2-115.0 -75.0 154.8 89.0 -64.3 265.7 434 434 A D H 3> S+ 0 0 106 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.817 119.2 62.2 -56.8 -30.7 89.0 -61.9 268.6 435 435 A E H 3> S+ 0 0 129 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.872 107.0 43.9 -62.4 -36.2 86.7 -64.4 270.3 436 436 A E H <> S+ 0 0 15 -3,-1.2 4,-2.9 2,-0.2 5,-0.3 0.920 111.9 51.4 -74.3 -45.9 89.5 -66.9 270.1 437 437 A V H X S+ 0 0 7 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.927 114.6 44.2 -56.7 -46.3 92.2 -64.5 271.2 438 438 A E H X S+ 0 0 90 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.904 113.2 50.5 -66.5 -42.0 90.0 -63.6 274.2 439 439 A A H X S+ 0 0 21 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.882 109.6 50.3 -63.7 -39.3 89.1 -67.2 275.0 440 440 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 105.1 62.3 -69.1 -25.1 92.8 -68.2 274.9 441 441 A T H < S+ 0 0 1 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.896 118.5 21.0 -67.1 -43.9 93.4 -65.4 277.2 442 442 A Y H < S+ 0 0 47 -4,-1.4 443,-3.4 -3,-0.2 444,-0.4 0.353 99.0 120.7-108.8 4.2 91.3 -66.7 280.1 443 443 A A < - 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0 0 0 -535,-0.3 2,-0.2 -2,-0.3 -289,-0.1 -0.675 31.9-138.7 -96.4 150.2 114.3 -105.5 336.1 1668 50 M S > - 0 0 12 -290,-0.5 4,-2.0 -28,-0.4 5,-0.2 -0.586 24.9-111.5-100.7 165.6 117.1 -106.0 338.7 1669 51 M R H > S+ 0 0 182 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.899 118.0 54.8 -62.5 -40.7 120.0 -103.7 339.5 1670 52 M Q H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 107.1 49.6 -60.5 -43.5 122.4 -106.2 338.1 1671 53 M T H > S+ 0 0 0 -31,-0.3 4,-2.7 2,-0.2 5,-0.2 0.933 111.3 47.6 -62.5 -47.8 120.5 -106.4 334.7 1672 54 M L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.880 111.4 53.0 -60.2 -36.4 120.4 -102.6 334.3 1673 55 M E H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.9 49.2 -64.4 -41.3 124.1 -102.6 335.2 1674 56 M Y H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.904 112.6 46.6 -64.7 -41.0 124.7 -105.2 332.5 1675 57 M Q H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.868 109.5 55.2 -70.1 -33.3 122.7 -103.1 330.0 1676 58 M A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.915 108.9 48.6 -62.6 -42.6 124.7 -100.0 331.1 1677 59 M Q H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 111.7 47.2 -62.5 -49.4 127.9 -101.8 330.3 1678 60 M I H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.2 51.1 -61.0 -37.3 126.7 -102.9 326.9 1679 61 M A H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-1.5 0.942 110.5 45.8 -66.5 -48.5 125.6 -99.4 326.2 1680 62 M E H ><5S+ 0 0 56 -4,-2.8 3,-1.4 1,-0.3 5,-0.2 0.778 106.4 59.8 -67.5 -23.9 128.8 -97.7 327.2 1681 63 M Q T 3<5S+ 0 0 55 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.539 103.9 51.9 -79.7 -4.6 130.8 -100.3 325.2 1682 64 M M T < 5S- 0 0 51 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.165 127.5-107.6-109.0 9.4 128.7 -98.9 322.3 1683 65 M Q T < 5S+ 0 0 105 -3,-1.4 2,-0.9 1,-0.1 3,-0.3 0.675 83.3 130.1 70.4 20.7 129.9 -95.5 323.3 1684 66 M R >< + 0 0 6 -5,-2.7 4,-2.4 1,-0.2 -1,-0.1 -0.544 18.5 153.9-102.8 66.0 126.5 -94.6 324.7 1685 67 M H H > + 0 0 98 -2,-0.9 4,-2.9 -5,-0.2 -1,-0.2 0.858 67.3 58.8 -61.5 -39.4 127.7 -93.4 328.0 1686 68 M A H > S+ 0 0 14 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.935 109.8 43.6 -58.2 -46.9 124.7 -91.1 328.5 1687 69 M V H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.927 111.7 54.1 -63.6 -44.1 122.4 -94.0 328.3 1688 70 M A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 108.4 50.1 -56.9 -41.0 124.7 -96.1 330.5 1689 71 M R H X S+ 0 0 90 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.882 109.9 50.1 -64.6 -39.8 124.5 -93.3 333.1 1690 72 M N H X S+ 0 0 6 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.934 110.3 50.3 -64.6 -45.3 120.7 -93.3 332.8 1691 73 M F H X S+ 0 0 6 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.930 111.7 47.5 -59.6 -44.1 120.6 -97.0 333.3 1692 74 M R H X S+ 0 0 72 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.853 113.2 47.7 -66.6 -34.6 122.8 -96.9 336.4 1693 75 M R H >X S+ 0 0 10 -4,-2.1 3,-0.5 1,-0.2 4,-0.5 0.909 111.1 51.8 -72.7 -37.1 120.8 -94.1 337.9 1694 76 M A H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.6 0.848 98.6 66.3 -64.6 -34.4 117.6 -96.0 337.2 1695 77 M A H >< S+ 0 0 13 -4,-2.0 3,-1.2 1,-0.3 4,-0.3 0.897 95.9 56.6 -54.1 -41.3 119.1 -99.0 338.9 1696 78 M E H << S+ 0 0 37 -4,-0.9 -1,-0.3 -3,-0.5 3,-0.3 0.713 102.3 56.3 -64.1 -22.4 119.0 -97.1 342.2 1697 79 M L H X< S+ 0 0 0 -3,-1.5 3,-0.9 -4,-0.5 -1,-0.2 0.588 79.2 94.2 -87.1 -11.2 115.3 -96.6 341.8 1698 80 M I T << S+ 0 0 23 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.867 86.5 43.5 -47.8 -50.7 114.3 -100.3 341.5 1699 81 M A T 3 S+ 0 0 77 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.679 89.4 101.8 -74.4 -17.9 113.5 -100.9 345.2 1700 82 M I S < S- 0 0 1 -3,-0.9 5,-0.1 -4,-0.2 -3,-0.0 -0.471 85.9-104.7 -68.6 133.4 111.6 -97.6 345.7 1701 83 M P >> - 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.276 24.3-119.8 -59.0 145.5 107.8 -98.3 345.6 1702 84 M D H 3> S+ 0 0 31 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.878 114.3 54.0 -51.2 -45.1 106.1 -97.3 342.4 1703 85 M E H 3> S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.861 110.5 47.1 -60.9 -35.8 103.8 -94.9 344.3 1704 86 M R H <> S+ 0 0 71 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.844 109.5 53.4 -75.2 -32.7 106.9 -93.2 345.7 1705 87 M I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.947 111.8 45.3 -64.0 -48.5 108.5 -93.1 342.3 1706 88 M L H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.925 112.5 52.9 -59.9 -44.2 105.5 -91.3 340.9 1707 89 M A H X S+ 0 0 37 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.917 110.7 45.3 -59.1 -45.4 105.5 -89.1 344.0 1708 90 M I H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.916 111.1 53.7 -66.3 -41.7 109.1 -88.1 343.5 1709 91 M Y H >X S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.5 0.967 111.3 45.4 -55.6 -53.8 108.6 -87.5 339.8 1710 92 M N H >< S+ 0 0 35 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.875 106.5 59.0 -57.4 -39.7 105.7 -85.2 340.5 1711 93 M A H 3< S+ 0 0 15 -4,-2.2 6,-0.5 1,-0.3 -1,-0.3 0.736 104.7 53.3 -62.0 -21.8 107.6 -83.4 343.2 1712 94 M L H << S+ 0 0 0 -3,-1.3 -590,-0.4 -4,-1.1 -1,-0.3 0.566 86.2 102.0 -88.1 -12.7 110.1 -82.6 340.5 1713 95 M R S X< S- 0 0 0 -3,-1.6 3,-1.7 -4,-0.5 4,-0.4 -0.439 93.8 -72.4 -70.4 148.4 107.5 -81.1 338.2 1714 96 M P T 3 S+ 0 0 1 0, 0.0 41,-0.2 0, 0.0 -1,-0.1 -0.055 111.4 0.9 -47.2 137.0 107.6 -77.3 338.2 1715 97 M F T 3 S+ 0 0 48 39,-3.3 42,-0.2 2,-0.2 40,-0.2 0.427 99.0 106.9 66.3 4.7 106.3 -75.4 341.3 1716 98 M R S < S+ 0 0 62 -3,-1.7 2,-0.3 38,-0.3 -4,-0.1 0.910 73.6 45.1 -77.0 -41.9 105.5 -78.6 343.3 1717 99 M S - 0 0 8 -6,-0.5 39,-3.3 -4,-0.4 2,-0.2 -0.692 66.8-135.4-112.1 158.3 108.3 -78.5 345.8 1718 100 M S > - 0 0 9 -2,-0.3 4,-1.8 37,-0.2 5,-0.2 -0.580 40.4-105.7 -95.0 163.8 110.1 -76.1 348.0 1719 101 M Q H > S+ 0 0 81 -2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.943 122.3 51.1 -57.4 -46.9 113.9 -76.2 348.1 1720 102 M A H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.901 107.5 52.3 -57.4 -44.1 113.8 -77.9 351.5 1721 103 M E H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 110.1 48.2 -63.9 -34.0 111.3 -80.6 350.3 1722 104 M L H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.3 -1,-0.2 0.935 112.4 49.1 -70.7 -44.0 113.6 -81.4 347.4 1723 105 M L H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.875 109.5 51.6 -62.1 -37.7 116.6 -81.6 349.7 1724 106 M A H X S+ 0 0 54 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 109.1 51.1 -66.6 -35.3 114.6 -83.9 352.1 1725 107 M I H X S+ 0 0 13 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.903 108.6 51.6 -66.9 -38.8 113.8 -86.1 349.1 1726 108 M A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.876 108.9 51.4 -64.7 -36.6 117.5 -86.2 348.3 1727 109 M D H X>S+ 0 0 78 -4,-2.0 4,-2.9 2,-0.2 5,-0.6 0.936 110.3 47.9 -65.0 -46.9 118.2 -87.2 351.9 1728 110 M E H X>S+ 0 0 50 -4,-2.4 4,-2.3 1,-0.2 5,-1.5 0.930 113.3 49.1 -58.3 -46.8 115.6 -90.0 351.7 1729 111 M L H X5S+ 0 0 0 -4,-2.7 6,-3.2 3,-0.2 4,-0.5 0.941 116.6 40.8 -58.4 -51.2 117.1 -91.2 348.4 1730 112 M E H <5S+ 0 0 55 -4,-2.7 6,-0.2 4,-0.3 -2,-0.2 0.944 129.4 24.1 -65.3 -51.8 120.7 -91.1 349.6 1731 113 M H H <5S+ 0 0 122 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.717 129.9 36.2 -92.4 -23.4 120.2 -92.6 353.1 1732 114 M T H < + 0 0 0 -6,-3.2 4,-2.5 1,-0.2 -1,-0.2 -0.538 14.8 165.5 -88.6 68.4 120.3 -94.0 345.6 1736 118 M T H > S+ 0 0 78 -2,-1.8 4,-2.2 -6,-0.2 -1,-0.2 0.836 70.0 48.2 -56.6 -40.7 123.3 -91.7 345.9 1737 119 M V H > S+ 0 0 69 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 113.9 46.6 -69.7 -41.1 123.3 -90.7 342.3 1738 120 M N H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.867 110.5 54.0 -66.8 -34.8 119.6 -89.9 342.3 1739 121 M A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 110.9 45.2 -63.6 -45.0 120.1 -88.0 345.6 1740 122 M A H X S+ 0 0 55 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.887 111.9 54.4 -64.7 -36.3 122.8 -85.9 343.9 1741 123 M F H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.920 111.5 42.9 -62.8 -45.3 120.5 -85.5 340.9 1742 124 M V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.853 110.5 54.9 -71.2 -34.9 117.7 -84.2 343.1 1743 125 M R H X S+ 0 0 81 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.862 109.1 50.9 -65.7 -32.0 120.0 -82.0 345.1 1744 126 M E H X S+ 0 0 38 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.913 107.7 50.9 -70.1 -42.6 121.0 -80.6 341.7 1745 127 M S H X S+ 0 0 0 -4,-1.9 4,-3.6 1,-0.2 5,-0.3 0.898 104.9 58.6 -62.5 -38.9 117.4 -80.0 340.7 1746 128 M A H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.933 111.1 40.7 -55.9 -48.8 116.9 -78.1 344.0 1747 129 M E H X S+ 0 0 87 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.948 117.1 47.3 -65.7 -50.2 119.6 -75.6 343.2 1748 130 M V H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.934 113.5 48.7 -56.8 -47.8 118.6 -75.3 339.5 1749 131 M Y H <>S+ 0 0 3 -4,-3.6 5,-3.0 2,-0.2 6,-0.8 0.866 112.0 50.5 -59.5 -37.1 115.0 -74.9 340.5 1750 132 M Q H ><5S+ 0 0 87 -4,-1.8 3,-1.0 -5,-0.3 -2,-0.2 0.953 115.2 41.3 -66.3 -49.7 116.0 -72.3 343.0 1751 133 M Q H 3<5S+ 0 0 96 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 121.4 41.8 -68.1 -33.6 118.1 -70.4 340.5 1752 134 M R T 3<5S- 0 0 76 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.136 110.9-116.6-102.6 19.4 115.5 -70.7 337.7 1753 135 M H T < 5S+ 0 0 137 -3,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.865 73.3 130.2 50.3 49.2 112.5 -70.0 339.9 1754 136 M K < + 0 0 25 -5,-3.0 -39,-3.3 -8,-0.1 -38,-0.3 0.305 40.3 104.3-111.0 7.6 110.8 -73.4 339.4 1755 137 M L S S- 0 0 24 -6,-0.8 -37,-0.2 -41,-0.2 2,-0.1 -0.365 92.9 -70.1 -81.1 166.2 110.3 -74.1 343.1 1756 138 M R - 0 0 97 -39,-3.3 3,-0.2 1,-0.1 -1,-0.2 -0.397 65.6 -99.1 -59.8 127.1 106.8 -73.7 344.7 1757 139 M K S S+ 0 0 91 1,-0.2 -1,-0.1 -42,-0.2 -39,-0.0 -0.248 104.3 12.6 -52.0 124.5 106.0 -70.0 344.7 1758 140 M G 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.986 360.0 360.0 71.1 61.9 106.7 -68.6 348.2 1759 141 M S 0 0 107 -3,-0.2 -1,-0.2 -42,-0.1 -4,-0.0 -0.799 360.0 360.0-126.7 360.0 108.7 -71.4 349.8