==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-05 2FEU . COMPND 2 MOLECULE: CYTOCHROME P450-CAM; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR K.VON KOENIG,T.M.MAKRIS,S.G.SLIGAR,I.SCHLICHTING . 809 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 550 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 7.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 35 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 1 5 0 0 4 0 6 2 1 1 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 8 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 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 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 11 A L 0 0 155 0, 0.0 47,-0.2 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 153.4 5.2 -14.4 61.8 2 12 A A - 0 0 22 45,-1.5 46,-0.0 1,-0.0 49,-0.0 -0.927 360.0 -89.2-119.4 142.5 7.4 -13.5 64.8 3 13 A P - 0 0 127 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.176 50.5-109.3 -48.9 127.9 6.3 -12.9 68.5 4 14 A L - 0 0 60 1,-0.1 43,-0.0 2,-0.0 47,-0.0 -0.411 35.0-116.9 -65.7 128.4 5.5 -9.2 69.0 5 15 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.077 16.8-117.4 -61.3 162.4 8.1 -7.3 71.1 6 16 A P S S+ 0 0 136 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.920 113.5 45.5 -67.8 -48.8 7.3 -5.7 74.6 7 17 A H S S+ 0 0 56 1,-0.0 294,-0.2 2,-0.0 -3,-0.0 0.597 95.5 93.4 -73.4 -10.7 8.0 -2.1 73.6 8 18 A V - 0 0 4 1,-0.1 294,-0.0 -3,-0.1 5,-0.0 -0.766 68.7-151.4 -89.6 113.5 6.0 -2.6 70.4 9 19 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.506 17.9-116.0 -58.1-149.1 2.3 -1.6 70.8 10 20 A E S > S+ 0 0 148 2,-0.0 3,-0.9 3,-0.0 35,-0.1 0.592 99.8 62.3-130.0 -28.0 -0.5 -3.1 68.9 11 21 A H T 3 S+ 0 0 142 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.723 101.0 55.1 -75.9 -21.9 -2.1 -0.3 66.8 12 22 A L T 3 S+ 0 0 23 32,-0.1 33,-3.2 28,-0.1 2,-0.9 0.243 78.8 119.8 -94.4 13.1 1.1 0.2 64.8 13 23 A V B < +a 45 0A 36 -3,-0.9 2,-0.6 31,-0.2 33,-0.2 -0.695 30.7 166.4 -86.4 106.1 1.3 -3.4 63.7 14 24 A F - 0 0 56 31,-1.5 2,-2.0 -2,-0.9 30,-0.1 -0.930 29.0-145.6-119.7 103.8 1.2 -3.8 60.0 15 25 A D + 0 0 52 -2,-0.6 2,-0.4 31,-0.2 31,-0.1 -0.477 33.5 165.0 -73.4 82.9 2.2 -7.3 58.9 16 26 A F - 0 0 4 -2,-2.0 2,-0.7 32,-0.1 32,-0.4 -0.853 27.7-152.3-102.4 133.4 4.0 -6.4 55.6 17 27 A D > - 0 0 43 -2,-0.4 3,-2.0 3,-0.1 366,-0.1 -0.887 3.8-166.1-108.6 102.1 6.2 -9.0 54.0 18 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.679 90.3 50.3 -60.1 -20.0 8.9 -7.3 51.9 19 29 A Y T 3 S+ 0 0 47 1,-0.2 364,-0.3 -3,-0.1 -1,-0.3 0.409 130.1 14.7 -99.1 1.4 9.7 -10.5 50.2 20 30 A N S < S- 0 0 105 -3,-2.0 -1,-0.2 362,-0.1 -2,-0.2 -0.175 79.5-166.7-171.7 63.5 6.1 -11.3 49.3 21 31 A P > - 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.1 -0.225 27.6-119.4 -61.2 146.3 3.7 -8.4 49.6 22 32 A S T 3 S+ 0 0 108 1,-0.3 3,-0.5 9,-0.1 9,-0.1 0.891 109.1 40.7 -51.1 -54.4 -0.1 -9.0 49.5 23 33 A N T > S+ 0 0 80 8,-0.3 3,-1.8 1,-0.2 -1,-0.3 -0.004 72.1 128.5 -90.9 31.3 -1.0 -6.9 46.5 24 34 A L G X + 0 0 37 -3,-1.4 3,-1.6 1,-0.3 357,-0.5 0.770 64.0 69.6 -55.7 -26.3 2.1 -8.0 44.4 25 35 A S G 3 S+ 0 0 117 -3,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.812 93.9 54.2 -62.8 -32.0 -0.3 -8.8 41.6 26 36 A A G < S- 0 0 60 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.362 132.7 -72.2 -84.3 5.5 -1.1 -5.2 41.0 27 37 A G <> - 0 0 8 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.3 0.004 41.7-100.2 112.2 140.3 2.6 -4.4 40.6 28 38 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.890 122.1 49.9 -61.7 -41.8 5.4 -4.2 43.2 29 39 A Q H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 113.3 48.2 -63.3 -37.7 5.4 -0.4 43.5 30 40 A E H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.901 107.8 57.3 -64.8 -41.4 1.6 -0.7 44.0 31 41 A A H < S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.2 -8,-0.3 0.875 110.8 40.9 -57.9 -42.0 2.3 -3.4 46.5 32 42 A W H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.757 102.4 71.3 -79.6 -23.7 4.5 -1.2 48.7 33 43 A A H >< S+ 0 0 22 -4,-1.6 3,-2.6 1,-0.3 -1,-0.2 0.714 77.9 77.3 -65.0 -22.0 2.2 1.8 48.3 34 44 A V G >< S+ 0 0 22 -4,-0.8 3,-1.1 -3,-0.5 -1,-0.3 0.751 84.0 66.5 -60.5 -21.5 -0.4 0.2 50.5 35 45 A L G < S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.470 97.7 55.5 -77.3 -0.9 1.8 1.3 53.4 36 46 A Q G < S+ 0 0 23 -3,-2.6 -1,-0.2 -4,-0.0 -2,-0.2 0.213 77.9 120.5-116.2 13.9 1.0 4.9 52.4 37 47 A E S X S- 0 0 90 -3,-1.1 3,-2.1 1,-0.1 -3,-0.0 -0.352 78.8-106.7 -74.7 159.9 -2.8 4.8 52.6 38 48 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.812 119.9 60.0 -56.5 -32.0 -4.6 7.2 55.0 39 49 A N T 3 S+ 0 0 113 2,-0.1 -1,-0.3 0, 0.0 -4,-0.0 0.554 94.5 78.6 -74.8 -8.2 -5.4 4.2 57.2 40 50 A V S < S- 0 0 9 -3,-2.1 -28,-0.1 -6,-0.1 4,-0.1 -0.883 76.7-133.0-108.5 132.9 -1.7 3.5 57.7 41 51 A P - 0 0 46 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.297 27.7-104.9 -76.3 164.1 0.5 5.4 60.1 42 52 A D S S+ 0 0 55 1,-0.2 14,-3.3 13,-0.1 2,-0.5 0.938 107.3 30.8 -52.2 -55.7 4.0 6.8 59.3 43 53 A L E S+ B 0 55A 6 12,-0.2 2,-0.3 255,-0.1 12,-0.2 -0.937 74.1 167.2-115.9 124.2 5.9 4.2 61.2 44 54 A V E - B 0 54A 0 10,-1.7 10,-1.8 -2,-0.5 2,-0.4 -0.799 27.6-127.2-127.6 169.5 4.6 0.6 61.7 45 55 A W E -aB 13 53A 8 -33,-3.2 -31,-1.5 -2,-0.3 2,-0.4 -0.973 18.1-161.5-122.4 132.6 5.9 -2.7 62.9 46 56 A T E - B 0 52A 0 6,-2.6 6,-2.0 -2,-0.4 -31,-0.2 -0.906 16.3-155.0-115.7 142.5 5.7 -6.0 61.0 47 57 A R > + 0 0 86 -2,-0.4 -45,-1.5 4,-0.2 3,-0.6 0.204 63.5 109.7 -96.4 13.5 6.1 -9.5 62.4 48 58 A C G > S+ 0 0 19 -32,-0.4 3,-2.6 1,-0.2 -2,-0.1 -0.537 80.2 10.9 -87.4 157.0 7.2 -10.9 59.0 49 59 A N G 3 S- 0 0 54 1,-0.3 31,-0.3 -2,-0.2 -1,-0.2 0.787 143.3 -44.1 46.4 34.5 10.7 -12.1 58.3 50 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 29,-0.1 -2,-0.1 0.226 102.2 -76.3 101.1 -16.3 11.6 -11.9 62.0 51 61 A G < + 0 0 3 -3,-2.6 256,-0.3 1,-0.1 2,-0.3 0.438 60.6 156.9 94.9 128.5 9.9 -8.5 62.9 52 62 A H E -B 46 0A 1 -6,-2.0 -6,-2.6 254,-0.1 256,-0.2 -0.971 38.4 -93.1-173.9 162.2 11.1 -5.0 62.3 53 63 A W E -Bc 45 308A 0 254,-2.7 256,-2.9 -2,-0.3 2,-0.3 -0.353 29.1-158.2 -81.2 166.6 9.9 -1.3 61.9 54 64 A I E -Bc 44 309A 0 -10,-1.8 -10,-1.7 254,-0.2 2,-0.5 -0.864 9.1-149.2-151.4 110.8 9.0 0.3 58.6 55 65 A A E -B 43 0A 0 254,-2.0 -12,-0.2 -2,-0.3 259,-0.1 -0.717 14.0-173.4 -80.1 123.1 9.1 4.1 57.9 56 66 A T + 0 0 0 -14,-3.3 2,-0.4 -2,-0.5 -1,-0.1 0.334 56.6 71.9-102.1 6.3 6.3 4.6 55.3 57 67 A R S >> S- 0 0 11 -15,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.966 75.5-130.6-127.5 142.1 6.9 8.3 54.6 58 68 A G H 3> S+ 0 0 0 -2,-0.4 4,-2.4 257,-0.3 5,-0.3 0.798 106.0 62.2 -55.1 -31.8 9.7 10.1 52.7 59 69 A Q H 3> S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 111.8 34.5 -62.7 -45.3 10.1 12.6 55.6 60 70 A L H <> S+ 0 0 2 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.812 115.2 57.3 -79.8 -31.0 11.1 9.9 58.1 61 71 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.948 112.2 41.5 -63.4 -47.9 13.0 7.8 55.6 62 72 A R H X S+ 0 0 53 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.947 113.4 52.4 -63.9 -50.5 15.2 10.8 54.7 63 73 A E H X S+ 0 0 67 -4,-1.8 4,-1.5 -5,-0.3 3,-0.5 0.884 109.9 48.7 -54.7 -43.3 15.6 11.9 58.4 64 74 A A H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -1,-0.2 0.902 107.6 54.2 -66.5 -40.4 16.7 8.4 59.5 65 75 A Y H < S+ 0 0 9 -4,-1.8 279,-0.4 1,-0.2 -1,-0.2 0.714 109.5 49.8 -66.6 -18.8 19.3 8.0 56.6 66 76 A E H < S+ 0 0 111 -4,-1.2 2,-1.3 -3,-0.5 -1,-0.2 0.783 99.3 67.8 -88.3 -31.5 20.8 11.3 57.8 67 77 A D >X + 0 0 38 -4,-1.5 4,-2.3 -5,-0.2 3,-0.7 -0.637 53.1 159.4 -93.2 80.8 21.1 10.4 61.4 68 78 A Y T 34 + 0 0 60 -2,-1.3 -1,-0.2 1,-0.2 5,-0.1 0.526 65.5 74.4 -78.1 -5.5 23.7 7.6 61.3 69 79 A R T 34 S+ 0 0 165 -3,-0.1 -1,-0.2 1,-0.1 3,-0.2 0.834 115.0 20.1 -75.2 -31.6 24.4 8.2 65.0 70 80 A H T <4 S+ 0 0 54 -3,-0.7 222,-2.3 1,-0.2 2,-0.8 0.750 126.6 52.3-104.1 -35.7 21.1 6.4 65.8 71 81 A F E < S-D 291 0A 1 -4,-2.3 220,-0.2 -7,-0.3 -1,-0.2 -0.815 77.3-167.1-109.1 92.0 20.5 4.5 62.6 72 82 A S E > -D 290 0A 6 218,-2.5 218,-2.2 -2,-0.8 3,-0.6 -0.520 24.2-148.2 -82.1 143.7 23.6 2.4 61.9 73 83 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.1 216,-0.2 4,-0.1 0.265 76.2 102.9 -90.7 9.8 24.3 0.7 58.5 74 84 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.2 216,-0.2 18,-0.1 0.852 96.1 25.3 -59.4 -35.2 26.2 -2.0 60.4 75 85 A C S < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.1 9,-0.2 -0.700 77.6 154.6-132.5 76.6 23.2 -4.3 60.0 76 86 A P + 0 0 2 0, 0.0 212,-2.5 0, 0.0 2,-0.3 0.561 47.9 75.5 -81.7 -15.1 21.3 -2.9 56.9 77 87 A F S S- 0 0 17 210,-0.2 6,-0.5 3,-0.1 7,-0.1 -0.711 73.6-111.6-107.5 157.7 19.4 -6.0 55.7 78 88 A I S S+ 0 0 3 -2,-0.3 2,-0.2 4,-0.1 -28,-0.1 -0.971 89.7 54.6-124.1 137.9 16.4 -7.9 56.8 79 89 A P S > S- 0 0 28 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.512 89.8-122.9 -63.0 174.2 16.1 -10.7 58.1 80 90 A R H > S+ 0 0 80 -31,-0.3 4,-3.0 1,-0.2 5,-0.3 0.850 109.5 57.8 -60.0 -39.6 18.5 -10.1 60.9 81 91 A E H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 109.2 46.9 -61.2 -35.1 20.8 -13.1 60.0 82 92 A A H > S+ 0 0 4 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.962 113.6 47.2 -69.8 -51.4 21.3 -11.4 56.6 83 93 A G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -6,-0.5 -1,-0.2 0.862 114.0 47.1 -58.3 -38.8 22.0 -8.0 58.1 84 94 A E H < S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.5 45.8 -71.2 -37.0 24.4 -9.4 60.6 85 95 A A H < S+ 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -2,-0.2 0.767 90.4 102.4 -74.2 -26.0 26.1 -11.4 57.9 86 96 A Y < + 0 0 12 -4,-2.3 -9,-0.1 1,-0.1 98,-0.0 -0.444 34.3 152.1 -63.6 114.9 26.2 -8.4 55.6 87 97 A D + 0 0 38 -2,-0.4 -1,-0.1 -12,-0.1 143,-0.1 0.085 15.8 145.9-134.1 23.5 29.7 -6.9 55.6 88 98 A F > - 0 0 4 145,-0.1 4,-2.6 3,-0.1 143,-0.2 -0.285 49.5 -93.7 -62.6 149.8 30.1 -5.3 52.3 89 99 A I T 4 S+ 0 0 0 141,-1.6 145,-0.2 1,-0.2 -1,-0.1 -0.927 96.4 4.5-113.9 140.2 32.1 -2.1 52.1 90 100 A P T >4 S+ 0 0 8 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.999 124.4 61.4 -86.9 -4.9 31.4 0.8 52.2 91 101 A T T 34 S+ 0 0 28 1,-0.3 -2,-0.2 140,-0.1 -3,-0.1 0.770 99.8 53.6 -53.4 -35.8 27.7 0.1 53.0 92 102 A S T 3< S+ 0 0 14 -4,-2.6 2,-0.3 -18,-0.1 -1,-0.3 0.449 100.7 80.4 -82.2 3.4 28.2 -1.8 56.3 93 103 A M < - 0 0 13 -3,-2.1 -5,-0.0 -5,-0.2 -6,-0.0 -0.795 66.9-146.9-111.1 152.6 30.2 1.1 57.6 94 104 A D > - 0 0 37 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.755 43.5 -56.8-109.2 158.7 29.1 4.4 59.2 95 105 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.367 112.5 32.2 -67.6 159.5 31.0 7.6 58.8 96 106 A P T >> S+ 0 0 110 0, 0.0 4,-0.7 0, 0.0 3,-0.5 -0.963 127.7 41.6 -80.4 -21.9 33.7 8.7 59.4 97 107 A E T 34 S+ 0 0 114 -3,-0.3 4,-0.5 1,-0.2 3,-0.2 0.760 113.2 57.4 -54.1 -29.1 35.3 5.2 58.7 98 108 A Q T >X S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 4,-0.9 0.918 90.3 70.2 -69.4 -46.0 33.0 4.8 55.7 99 109 A R H X> S+ 0 0 130 -3,-0.5 4,-0.9 1,-0.3 3,-0.7 0.796 90.6 59.0 -41.6 -47.4 34.0 7.9 53.8 100 110 A Q H 3X S+ 0 0 42 -4,-0.7 4,-0.8 1,-0.2 119,-0.4 0.836 103.7 51.4 -57.7 -36.1 37.6 6.7 52.9 101 111 A F H <> S+ 0 0 1 -3,-1.4 4,-2.0 -4,-0.5 -1,-0.2 0.775 97.4 66.9 -74.4 -26.4 36.3 3.6 51.0 102 112 A R H X S+ 0 0 1 -4,-0.8 3,-0.7 1,-0.2 4,-0.6 0.935 111.3 50.8 -64.4 -44.4 38.2 4.0 45.9 105 115 A A H >X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.3 3,-1.3 0.881 105.3 57.7 -59.6 -37.9 34.9 2.7 44.8 106 116 A N H 3X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.3 7,-0.4 0.805 95.7 64.9 -61.9 -30.9 34.4 5.9 42.8 107 117 A Q H << S+ 0 0 109 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.743 111.0 35.2 -65.0 -24.2 37.6 5.2 40.9 108 118 A V H << S+ 0 0 4 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.663 135.8 16.3-106.2 -19.5 36.1 2.1 39.4 109 119 A V H < S+ 0 0 10 -4,-1.5 243,-0.4 100,-0.1 -3,-0.2 0.409 97.2 109.0-131.9 0.1 32.4 3.0 38.8 110 120 A G S >X S- 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 3,-1.0 0.006 88.8 -80.1 -70.4-179.9 32.3 6.8 39.1 111 121 A M H 3> S+ 0 0 76 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.848 126.5 60.4 -50.3 -42.7 31.8 9.3 36.3 112 122 A P H 3> S+ 0 0 89 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.891 109.4 43.4 -55.2 -39.4 35.4 9.1 35.1 113 123 A V H <> S+ 0 0 12 -3,-1.0 4,-2.4 -7,-0.4 -2,-0.2 0.851 109.4 56.3 -74.0 -36.3 34.9 5.4 34.4 114 124 A V H X S+ 0 0 1 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.904 105.4 53.8 -62.2 -38.3 31.5 6.0 32.8 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C H X S+ 0 0 24 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.928 113.9 49.1 -63.1 -44.4 22.9 -0.6 19.6 127 137 A S H X S+ 0 0 47 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.928 112.6 46.8 -61.9 -46.5 24.2 -4.1 18.7 128 138 A L H X S+ 0 0 23 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.921 115.7 45.1 -61.5 -46.5 21.7 -5.8 21.0 129 139 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 3,-0.2 0.907 110.6 52.4 -66.5 -43.1 18.7 -3.8 19.9 130 140 A E H < S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 107.4 54.1 -62.7 -32.6 19.5 -4.1 16.2 131 141 A S H < S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.856 115.0 39.3 -69.5 -34.2 19.7 -7.9 16.5 132 142 A L H >X>S+ 0 0 13 -4,-1.3 3,-2.3 -3,-0.2 4,-0.7 0.825 96.2 84.9 -82.5 -34.6 16.3 -8.0 18.1 133 143 A R G ><5S+ 0 0 41 -4,-2.8 3,-0.9 1,-0.3 -2,-0.1 0.800 89.4 45.5 -37.3 -56.6 14.7 -5.4 15.8 134 144 A P G 345S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.635 100.1 72.3 -69.9 -11.0 13.7 -7.6 12.9 135 145 A Q G <45S- 0 0 103 -3,-2.3 -2,-0.2 -4,-0.1 261,-0.1 0.807 87.3-144.3 -72.9 -30.4 12.3 -10.3 15.2 136 146 A G T <<5S+ 0 0 9 -3,-0.9 260,-2.3 -4,-0.7 2,-0.3 0.627 74.1 49.8 74.4 11.9 9.2 -8.3 16.1 137 147 A Q E < +F 395 0B 118 -5,-0.5 2,-0.3 258,-0.3 258,-0.2 -0.975 55.6 166.5-171.5 160.8 9.5 -9.8 19.6 138 148 A C E -F 394 0B 6 256,-1.8 256,-2.5 -2,-0.3 2,-0.8 -0.975 42.1-113.8-171.1 167.3 11.7 -10.5 22.6 139 149 A N E >> -F 393 0B 81 -2,-0.3 4,-3.4 254,-0.2 3,-0.5 -0.900 37.9-161.5-111.9 90.6 11.8 -11.6 26.2 140 150 A F H 3>>S+ 0 0 0 252,-2.1 5,-2.5 -2,-0.8 4,-2.1 0.816 80.6 54.2 -46.9 -46.7 13.2 -8.2 27.4 141 151 A T H 34>S+ 0 0 15 1,-0.2 5,-1.8 3,-0.2 -1,-0.2 0.935 121.9 30.5 -57.1 -45.6 14.5 -9.4 30.8 142 152 A E H <45S+ 0 0 128 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.842 123.2 46.2 -82.2 -37.8 16.6 -12.1 29.2 143 153 A D H <5S- 0 0 39 -4,-3.4 -3,-0.2 3,-0.1 -2,-0.2 0.668 136.3 -10.4 -84.2 -17.4 17.4 -10.5 25.8 144 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -3,-0.2 0.517 119.9 64.8-144.8 -51.4 18.4 -7.0 27.0 145 155 A A T 4 S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.826 108.9 57.1 -57.8 -36.6 23.0 -8.9 29.1 148 158 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 5,-0.2 0.989 117.5 28.2 -62.6 -60.6 23.4 -5.1 28.5 149 159 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.922 123.2 51.2 -68.4 -41.1 24.3 -4.0 32.1 150 160 A I H X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.914 109.3 48.1 -63.8 -43.9 25.9 -7.3 33.1 151 161 A R H X S+ 0 0 87 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.856 111.7 51.7 -66.0 -33.9 28.2 -7.6 30.1 152 162 A I H X S+ 0 0 3 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.914 112.1 46.6 -67.5 -41.0 29.3 -4.0 30.6 153 163 A F H X S+ 0 0 11 -4,-2.3 4,-2.5 86,-0.2 -2,-0.2 0.934 111.6 49.6 -66.8 -44.2 30.0 -4.7 34.3 154 164 A M H X>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 4,-0.6 0.852 110.5 52.3 -62.5 -33.5 31.9 -7.9 33.5 155 165 A L H ><5S+ 0 0 71 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.953 112.0 44.6 -64.3 -50.6 33.9 -6.0 30.9 156 166 A L H 3<5S+ 0 0 17 -4,-2.2 53,-2.6 1,-0.2 -2,-0.2 0.833 116.9 45.4 -62.4 -36.2 34.8 -3.3 33.5 157 167 A A H 3<5S- 0 0 1 -4,-2.5 53,-0.3 51,-0.2 -1,-0.2 0.488 108.4-125.5 -87.7 -5.3 35.6 -5.9 36.1 158 168 A G T <<5 + 0 0 35 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.884 59.6 144.0 62.6 40.9 37.6 -8.0 33.7 159 169 A L < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.896 55.3-104.9-113.3 140.5 35.6 -11.2 34.4 160 170 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.363 21.5-130.8 -64.3 138.6 34.7 -13.8 31.7 161 171 A E G > S+ 0 0 102 1,-0.3 3,-1.8 2,-0.2 -7,-0.0 0.747 102.1 73.8 -61.3 -23.7 31.1 -13.7 30.5 162 172 A E G 3 S+ 0 0 159 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.694 89.7 61.9 -64.9 -14.6 30.8 -17.5 31.0 163 173 A D G <> S+ 0 0 50 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.556 76.9 92.4 -87.4 -7.5 30.7 -16.7 34.7 164 174 A I H <> S+ 0 0 30 -3,-1.8 4,-3.2 1,-0.2 5,-0.4 0.890 79.0 55.2 -55.7 -46.6 27.5 -14.7 34.5 165 175 A P H > S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.941 113.5 41.9 -53.4 -48.4 25.1 -17.6 35.3 166 176 A H H > S+ 0 0 96 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.958 118.8 43.6 -62.5 -53.3 26.8 -18.5 38.5 167 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.873 113.7 50.2 -62.8 -40.5 27.4 -14.9 39.7 168 178 A K H X S+ 0 0 18 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.859 108.8 53.8 -68.0 -33.7 23.9 -13.7 38.7 169 179 A Y H X S+ 0 0 90 -4,-1.7 4,-1.1 -5,-0.4 -2,-0.2 0.958 111.2 45.6 -63.3 -49.0 22.4 -16.7 40.6 170 180 A L H >X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.906 111.0 50.8 -61.6 -46.1 24.3 -15.7 43.7 171 181 A T H >X S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.8 0.904 107.9 54.6 -60.2 -40.6 23.5 -12.0 43.6 172 182 A D H 3X S+ 0 0 30 -4,-1.9 4,-3.0 1,-0.3 -1,-0.2 0.766 101.2 58.1 -65.1 -27.3 19.8 -12.8 43.2 173 183 A Q H << S+ 0 0 8 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.736 104.0 53.3 -75.7 -21.0 19.8 -14.9 46.4 174 184 A M H << S+ 0 0 5 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.694 123.5 25.8 -85.0 -18.5 21.0 -12.0 48.4 175 185 A T H < S+ 0 0 3 -4,-0.8 210,-2.0 -3,-0.2 211,-0.4 0.733 143.2 11.2-111.7 -37.5 18.2 -9.7 47.2 176 186 A R S < S- 0 0 27 -4,-3.0 -2,-0.2 208,-0.2 -3,-0.1 -0.449 81.5-163.4-142.2 62.3 15.3 -12.1 46.2 177 187 A P - 0 0 56 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.155 16.5-152.4 -52.1 137.0 16.3 -15.5 47.6 178 188 A D - 0 0 100 3,-0.0 -5,-0.1 0, 0.0 -6,-0.0 0.401 52.9-100.4 -90.2 1.2 14.4 -18.5 46.3 179 189 A G S S+ 0 0 68 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.208 103.2 100.5 101.7 -15.3 15.1 -20.3 49.5 180 190 A S S S+ 0 0 65 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.761 88.1 32.3 -74.0 -25.8 18.0 -22.5 48.4 181 191 A M S S- 0 0 49 -8,-0.1 -2,-0.4 4,-0.0 -1,-0.2 -0.993 72.3-135.7-136.3 141.6 20.5 -20.2 50.0 182 192 A T > - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.443 39.1-106.2 -81.6 165.3 20.6 -18.0 53.0 183 193 A F H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.927 122.1 54.0 -59.1 -43.0 22.2 -14.5 52.5 184 194 A A H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 109.4 46.8 -59.0 -40.4 25.3 -15.7 54.4 185 195 A E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 113.4 47.8 -69.5 -43.6 25.7 -18.7 52.1 186 196 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.906 113.4 49.6 -62.8 -40.4 25.2 -16.6 49.0 187 197 A K H X S+ 0 0 13 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.942 109.9 48.6 -64.9 -48.6 27.7 -14.0 50.3 188 198 A E H X S+ 0 0 103 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.812 109.3 54.5 -62.7 -28.3 30.4 -16.5 51.2 189 199 A A H X S+ 0 0 23 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.869 107.9 48.9 -72.8 -35.8 30.0 -18.1 47.7 190 200 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.908 112.7 48.0 -68.6 -40.8 30.6 -14.7 46.1 191 201 A Y H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.883 107.2 56.1 -65.9 -38.1 33.6 -14.2 48.3 192 202 A D H < S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 108.5 48.8 -60.4 -38.4 34.9 -17.7 47.4 193 203 A Y H X S+ 0 0 29 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.922 117.1 41.2 -66.7 -43.7 34.7 -16.7 43.8 194 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.4 0.854 95.7 76.7 -74.8 -39.1 36.6 -13.4 44.4 195 205 A I H X S+ 0 0 90 -4,-3.2 4,-1.9 1,-0.2 5,-0.2 0.866 99.7 40.1 -42.1 -57.5 39.3 -14.5 46.8 196 206 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 116.2 52.5 -64.5 -33.8 41.6 -16.2 44.3 197 207 A I H X S+ 0 0 33 -4,-0.6 4,-2.4 -3,-0.4 -2,-0.2 0.931 108.4 48.7 -67.0 -46.7 41.0 -13.5 41.7 198 208 A I H X S+ 0 0 4 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.909 111.4 51.1 -60.6 -40.5 41.9 -10.6 44.0 199 209 A E H >X S+ 0 0 97 -4,-1.9 4,-1.1 -5,-0.3 3,-0.6 0.926 109.4 50.7 -62.4 -43.8 45.1 -12.5 45.0 200 210 A Q H 3X S+ 0 0 86 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.919 112.6 46.3 -59.1 -45.0 46.0 -12.9 41.4 201 211 A R H 3< S+ 0 0 34 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.591 102.6 61.5 -79.7 -9.9 45.5 -9.2 40.6 202 212 A R H << S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.760 110.0 44.3 -82.5 -25.1 47.4 -7.9 43.6 203 213 A Q H < S+ 0 0 144 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.1 0.880 126.4 27.8 -83.3 -44.1 50.5 -9.6 42.2 204 214 A K S < S- 0 0 149 -4,-1.7 -1,-0.2 0, 0.0 -2,-0.1 -0.705 90.0-148.8-120.0 77.0 50.1 -8.6 38.6 205 215 A P + 0 0 84 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.199 22.9 179.9 -49.6 122.9 48.2 -5.3 38.8 206 216 A G - 0 0 34 -5,-0.3 -5,-0.0 2,-0.1 0, 0.0 -0.285 39.8-100.6-111.2-161.8 45.9 -4.7 35.8 207 217 A T S S+ 0 0 130 -2,-0.1 -49,-0.1 4,-0.1 5,-0.0 0.552 81.3 106.3-100.6 -13.4 43.5 -2.1 34.6 208 218 A D S > S- 0 0 26 -51,-0.1 4,-2.4 1,-0.1 -51,-0.2 -0.158 83.2-106.2 -67.5 163.3 40.2 -3.8 35.6 209 219 A A H > S+ 0 0 7 -53,-2.6 4,-2.2 1,-0.2 5,-0.2 0.854 119.0 52.4 -58.7 -38.9 38.0 -2.7 38.5 210 220 A I H > S+ 0 0 7 -53,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.903 111.0 47.3 -67.2 -38.4 39.0 -5.6 40.7 211 221 A S H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 111.7 50.4 -66.9 -44.0 42.7 -4.9 40.2 212 222 A I H < S+ 0 0 57 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.892 115.8 41.9 -62.1 -41.2 42.2 -1.2 40.9 213 223 A V H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 -2,-0.2 0.957 114.2 51.6 -69.7 -49.4 40.3 -1.9 44.1 214 224 A A H 3< S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.790 119.3 35.2 -58.1 -32.9 42.7 -4.7 45.2 215 225 A N T 3< S+ 0 0 64 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.181 100.2 117.1-106.8 15.1 45.8 -2.5 44.8 216 226 A G < - 0 0 9 -3,-1.6 7,-1.8 -5,-0.1 2,-0.4 -0.093 59.5-121.4 -80.0 178.9 44.1 0.7 45.9 217 227 A Q E -H 222 0C 128 5,-0.2 2,-0.7 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18.9 17.5 550 154 B Y T X5S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.490 119.9 63.8-145.6 -53.3 18.7 22.5 16.7 551 155 B A T 4 S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.841 109.1 58.2 -56.5 -39.2 13.7 20.9 15.6 554 158 B F H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -3,-0.1 0.986 118.2 26.6 -59.5 -62.1 13.7 24.7 16.3 555 159 B P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 123.2 52.2 -71.2 -34.8 12.1 25.9 13.1 556 160 B I H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.922 108.0 49.3 -68.1 -42.0 10.1 22.7 12.3 557 161 B R H X S+ 0 0 13 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.873 110.3 52.8 -64.8 -34.8 8.5 22.4 15.7 558 162 B I H X S+ 0 0 1 -4,-1.3 4,-2.7 -5,-0.3 -1,-0.2 0.934 111.4 45.7 -64.7 -45.2 7.4 26.1 15.5 559 163 B F H X S+ 0 0 11 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.908 111.8 50.7 -64.3 -42.3 5.8 25.5 12.1 560 164 B M H X>S+ 0 0 2 -4,-2.7 5,-2.6 2,-0.2 4,-0.9 0.858 110.9 50.6 -64.2 -32.8 4.1 22.3 13.2 561 165 B L H ><5S+ 0 0 78 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.957 112.0 46.4 -67.0 -49.1 2.8 24.3 16.2 562 166 B L H 3<5S+ 0 0 19 -4,-2.7 53,-2.8 1,-0.2 -2,-0.2 0.878 117.6 43.5 -59.4 -39.0 1.5 27.0 13.8 563 167 B A H 3<5S- 0 0 2 -4,-2.8 53,-0.3 51,-0.2 -1,-0.2 0.544 107.5-125.5 -85.3 -8.5 -0.0 24.4 11.5 564 168 B G T <<5 + 0 0 35 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.889 59.4 146.9 65.2 39.6 -1.5 22.4 14.4 565 169 B L < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.879 55.2-100.8-113.1 142.6 0.3 19.2 13.2 566 170 B P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.329 22.4-138.7 -58.9 130.2 1.7 16.3 15.3 567 171 B E G > S+ 0 0 31 1,-0.3 3,-2.0 2,-0.2 -7,-0.0 0.803 100.0 70.4 -63.1 -27.2 5.4 16.5 15.7 568 172 B E G 3 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.650 90.1 63.9 -65.6 -10.5 5.7 12.7 15.2 569 173 B D G <> S+ 0 0 41 -3,-1.8 4,-2.2 1,-0.2 3,-0.3 0.589 77.6 90.8 -86.5 -11.7 4.8 13.4 11.6 570 174 B I H <> S+ 0 0 28 -3,-2.0 4,-3.3 -4,-0.2 5,-0.3 0.882 77.2 57.4 -53.8 -47.6 8.0 15.4 11.0 571 175 B P H > S+ 0 0 95 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.918 112.6 41.1 -53.6 -43.8 10.2 12.5 9.8 572 176 B H H > S+ 0 0 99 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.957 118.1 45.3 -68.5 -49.8 7.8 11.6 7.0 573 177 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.898 112.2 52.0 -61.8 -41.2 7.1 15.2 6.0 574 178 B K H X S+ 0 0 16 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.897 108.2 51.1 -63.2 -41.6 10.7 16.3 6.1 575 179 B Y H X S+ 0 0 77 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.939 112.4 47.8 -60.8 -45.4 11.8 13.4 3.9 576 180 B L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.915 111.2 48.2 -62.3 -46.4 9.1 14.4 1.4 577 181 B T H >X S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.7 0.898 109.5 54.6 -63.0 -38.6 10.0 18.1 1.4 578 182 B D H 3X S+ 0 0 27 -4,-2.2 4,-2.9 1,-0.2 3,-0.4 0.804 101.2 58.0 -66.1 -28.5 13.7 17.2 0.9 579 183 B Q H 3< S+ 0 0 8 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.746 103.9 54.3 -73.1 -20.6 12.9 15.1 -2.2 580 184 B M H << S+ 0 0 5 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.681 123.2 23.8 -84.3 -18.9 11.4 18.2 -3.8 581 185 B T H < S+ 0 0 2 -4,-0.7 210,-2.2 -3,-0.4 211,-0.4 0.728 140.4 16.6-114.2 -36.9 14.5 20.4 -3.3 582 186 B R S < S- 0 0 24 -4,-2.9 -2,-0.2 208,-0.2 208,-0.1 -0.500 80.9-162.4-137.9 64.1 17.4 18.0 -3.0 583 187 B P - 0 0 57 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.229 15.2-160.8 -55.8 129.1 16.2 14.6 -4.4 584 188 B D - 0 0 105 3,-0.0 -5,-0.1 0, 0.0 -6,-0.0 0.432 53.5-101.3 -87.6 -1.7 18.3 11.6 -3.5 585 189 B G S S+ 0 0 69 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.236 101.5 99.9 103.7 -13.7 16.7 9.7 -6.3 586 190 B S S S+ 0 0 70 1,-0.2 2,-0.4 2,-0.0 -7,-0.0 0.740 89.1 32.4 -77.1 -21.4 14.1 7.6 -4.6 587 191 B M S S- 0 0 45 -8,-0.1 -2,-0.4 -11,-0.0 -1,-0.2 -0.996 71.8-135.5-140.1 139.7 11.3 10.0 -5.5 588 192 B T > - 0 0 74 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.426 37.6-108.0 -81.7 165.6 10.5 12.3 -8.4 589 193 B F H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 122.2 53.7 -58.8 -42.6 9.2 15.8 -7.5 590 194 B A H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 108.2 47.6 -58.9 -44.7 5.8 14.6 -8.7 591 195 B E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 112.8 49.1 -66.2 -38.0 5.7 11.6 -6.4 592 196 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.899 112.2 48.2 -67.8 -40.6 6.8 13.7 -3.4 593 197 B K H X S+ 0 0 30 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.947 109.5 52.9 -63.7 -48.2 4.2 16.3 -4.1 594 198 B E H X S+ 0 0 136 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.880 110.4 48.4 -53.0 -43.1 1.5 13.5 -4.5 595 199 B A H X S+ 0 0 23 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.865 110.5 50.0 -68.1 -38.1 2.5 12.2 -1.1 596 200 B L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 113.4 46.3 -67.0 -42.2 2.4 15.6 0.6 597 201 B Y H X S+ 0 0 12 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.903 107.9 56.8 -66.1 -39.9 -1.0 16.2 -0.9 598 202 B D H < S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.868 108.3 48.5 -58.2 -37.1 -2.1 12.7 0.2 599 203 B Y H X S+ 0 0 33 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.892 115.1 43.9 -69.5 -41.6 -1.2 13.7 3.8 600 204 B L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.818 93.4 80.0 -76.2 -32.6 -3.0 17.0 3.7 601 205 B I H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.891 99.2 37.1 -45.2 -55.9 -6.2 15.9 2.0 602 206 B P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 115.9 54.0 -69.4 -31.4 -7.9 14.4 5.1 603 207 B I H X S+ 0 0 22 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.910 109.4 48.0 -66.4 -42.2 -6.6 17.0 7.5 604 208 B I H X S+ 0 0 4 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.901 111.2 50.8 -64.9 -41.7 -8.0 19.8 5.3 605 209 B E H >X S+ 0 0 97 -4,-1.8 4,-0.8 -5,-0.3 3,-0.6 0.919 111.1 48.8 -62.2 -44.0 -11.4 18.1 5.1 606 210 B Q H >X S+ 0 0 112 -4,-2.2 4,-2.6 1,-0.2 3,-0.5 0.894 111.8 47.9 -63.7 -41.5 -11.5 17.7 8.8 607 211 B R H 3< S+ 0 0 39 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.572 103.4 60.6 -80.1 -7.9 -10.6 21.3 9.5 608 212 B R H << S+ 0 0 71 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.684 113.6 39.0 -86.5 -20.0 -13.2 22.7 7.1 609 213 B Q H << S+ 0 0 130 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.879 130.5 26.9 -91.3 -50.3 -15.8 20.9 9.2 610 214 B K S < S- 0 0 158 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.714 90.5-153.9-115.2 77.7 -14.4 21.6 12.6 611 215 B P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.128 14.3-175.4 -53.2 141.3 -12.4 24.9 12.1 612 216 B G - 0 0 38 -5,-0.2 -48,-0.0 2,-0.2 -5,-0.0 -0.452 38.1-106.1-121.4-163.7 -9.5 25.6 14.4 613 217 B T S S+ 0 0 138 -2,-0.2 -49,-0.1 4,-0.1 2,-0.0 0.320 81.3 110.5-110.5 4.9 -7.1 28.6 14.8 614 218 B D S > S- 0 0 26 -51,-0.1 4,-2.1 1,-0.1 -51,-0.2 -0.283 85.0-102.3 -75.1 165.7 -4.1 26.8 13.2 615 219 B A H > S+ 0 0 4 -53,-2.8 4,-2.2 1,-0.2 5,-0.2 0.841 120.0 52.4 -58.0 -38.9 -2.7 27.8 9.9 616 220 B I H > S+ 0 0 7 -53,-0.3 4,-3.2 2,-0.2 5,-0.2 0.934 109.3 48.6 -66.4 -45.1 -4.4 24.9 8.0 617 221 B S H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.892 111.5 51.3 -60.8 -39.6 -7.8 25.7 9.4 618 222 B I H < S+ 0 0 70 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.918 115.3 40.8 -65.3 -43.3 -7.3 29.4 8.4 619 223 B V H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.944 115.1 50.8 -69.2 -47.8 -6.3 28.6 4.9 620 224 B A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 119.2 36.5 -63.5 -27.3 -8.9 25.8 4.4 621 225 B N T 3< S+ 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.292 100.4 115.9-106.8 8.5 -11.8 28.0 5.6 622 226 B G < - 0 0 12 -3,-1.2 7,-2.0 -4,-0.2 2,-0.3 -0.044 57.4-130.9 -75.2 174.9 -10.4 31.1 4.0 623 227 B Q E -S 628 0I 121 5,-0.2 2,-0.5 -117,-0.1 -1,-0.1 -0.940 6.1-150.9-125.8 147.8 -11.6 33.4 1.2 624 228 B V E > S-S 627 0I 0 3,-2.8 3,-2.2 -2,-0.3 -117,-0.1 -0.984 82.4 -23.3-121.8 118.7 -9.8 34.7 -1.8 625 229 B N T 3 S- 0 0 141 -2,-0.5 -1,-0.1 -119,-0.3 -118,-0.1 0.868 130.4 -48.4 48.1 40.4 -11.0 38.1 -3.1 626 230 B G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.297 118.0 98.2 90.3 -12.4 -14.3 37.4 -1.4 627 231 B R E < S-S 624 0I 90 -3,-2.2 -3,-2.8 1,-0.1 -1,-0.2 -0.852 80.7 -90.5-113.7 150.6 -15.1 33.9 -2.5 628 232 B P E -S 623 0I 94 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.212 38.5-123.1 -55.4 136.9 -14.6 30.6 -0.7 629 233 B I - 0 0 4 -7,-2.0 2,-0.1 -10,-0.1 -122,-0.0 -0.563 29.7-124.4 -78.2 148.1 -11.3 28.8 -1.3 630 234 B T > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.445 18.5-110.1 -90.3 167.5 -11.7 25.3 -2.6 631 235 B S H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.885 119.6 50.4 -62.9 -38.7 -10.3 22.1 -1.1 632 236 B D H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 111.1 47.5 -66.4 -44.6 -7.9 21.7 -4.0 633 237 B E H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 110.5 52.6 -63.6 -40.2 -6.6 25.3 -3.7 634 238 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.887 110.4 48.6 -62.4 -38.6 -6.3 24.9 0.1 635 239 B K H X S+ 0 0 35 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.917 110.1 50.2 -66.9 -44.6 -4.2 21.8 -0.5 636 240 B R H X S+ 0 0 65 -4,-2.3 -141,-1.7 1,-0.2 4,-0.8 0.795 115.8 43.8 -65.9 -28.2 -1.9 23.5 -3.0 637 241 B M H X S+ 0 0 0 -4,-1.8 4,-2.0 -143,-0.2 -2,-0.2 0.916 113.0 48.4 -82.3 -46.1 -1.4 26.4 -0.6 638 242 B C H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.852 106.9 58.0 -62.9 -33.7 -0.8 24.3 2.6 639 243 B G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.918 106.4 48.8 -62.6 -41.8 1.6 22.1 0.8 640 244 B L H X S+ 0 0 33 -4,-0.8 4,-2.4 -145,-0.2 -1,-0.2 0.911 108.8 52.8 -65.0 -40.3 3.7 25.2 -0.1 641 245 B L H X S+ 0 0 25 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.902 107.4 52.4 -61.5 -40.0 3.6 26.4 3.5 642 246 B L H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.2 49.2 -62.1 -42.9 4.9 23.0 4.7 643 247 B V H X S+ 0 0 21 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.926 112.1 48.4 -64.0 -43.6 7.8 23.1 2.3 644 248 B G H <>S+ 0 0 29 -4,-2.4 5,-0.5 1,-0.2 4,-0.4 0.891 114.0 46.8 -64.2 -37.6 8.7 26.7 3.5 645 249 B G H <5S+ 0 0 15 -4,-2.4 -86,-0.2 -5,-0.2 -1,-0.2 0.812 119.4 37.4 -75.3 -28.1 8.5 25.7 7.1 646 250 B L H <5S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.584 123.2 31.8-101.4 -11.0 10.5 22.5 6.8 647 251 B D T <5S+ 0 0 1 -4,-1.8 -2,-0.1 -5,-0.2 -1,-0.1 0.041 107.5 53.4-140.9 35.9 13.3 23.3 4.4 648 252 B T T >>5S+ 0 0 50 -4,-0.4 4,-2.2 -3,-0.1 3,-1.2 0.495 111.2 28.0-126.6 -79.5 14.3 26.9 4.5 649 253 B V H 3> S+ 0 0 3 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.865 108.7 35.2 -49.9 -42.4 16.4 24.8 8.8 651 255 B N H <> S+ 0 0 8 -3,-1.2 4,-1.5 2,-0.2 3,-0.3 0.892 113.6 56.3 -82.1 -42.9 19.2 24.9 6.3 652 256 B F H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.879 101.3 58.6 -58.0 -40.0 20.1 28.6 6.7 653 257 B L H X S+ 0 0 4 -4,-2.7 4,-2.6 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