==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-NOV-07 3BEN . COMPND 2 MOLECULE: CYTOCHROME P450 102; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR D.R.TOMCHICK . 911 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 42 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 5 1 0 4 0 0 4 0 2 2 4 2 2 0 4 0 0 0 0 2 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 8 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 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 4 A E 0 0 237 0, 0.0 341,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.3 15.6 30.1 28.7 2 5 A M - 0 0 42 1,-0.0 35,-0.1 35,-0.0 36,-0.0 -0.853 360.0-117.2-103.8 131.3 14.9 26.4 27.9 3 6 A P - 0 0 47 0, 0.0 35,-2.9 0, 0.0 30,-0.1 -0.251 31.6-167.8 -58.4 156.2 11.8 24.5 29.1 4 7 A Q - 0 0 70 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.988 17.1-121.0-149.7 135.6 12.4 21.6 31.5 5 8 A P - 0 0 15 0, 0.0 11,-0.0 0, 0.0 33,-0.0 -0.097 53.6 -57.7 -70.9 176.7 10.1 18.8 32.6 6 9 A K - 0 0 144 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.146 56.2-138.8 -59.3 151.3 9.2 18.1 36.3 7 10 A T - 0 0 85 -3,-0.1 6,-0.2 8,-0.1 3,-0.1 -0.669 14.6-148.4-116.2 165.3 11.9 17.2 38.8 8 11 A F > - 0 0 85 4,-1.9 3,-1.8 1,-0.4 4,-0.1 -0.554 52.5-100.6-129.3 54.4 12.5 14.8 41.7 9 12 A G G > S- 0 0 61 1,-0.3 3,-2.3 2,-0.2 -1,-0.4 -0.293 100.0 -1.6 64.8-134.5 14.8 16.8 44.0 10 13 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.681 129.7 65.3 -64.7 -19.9 18.5 15.8 43.7 11 14 A L G X S- 0 0 81 -3,-1.8 3,-2.0 1,-0.2 -1,-0.3 0.583 86.1-170.3 -76.2 -8.0 17.6 13.1 41.1 12 15 A K T < - 0 0 76 -3,-2.3 -4,-1.9 1,-0.3 -1,-0.2 -0.319 63.7 -22.8 57.3-130.8 16.5 16.0 38.8 13 16 A N T > S+ 0 0 0 27,-2.2 3,-2.2 -6,-0.2 4,-0.3 0.502 109.0 103.9 -85.1 -4.3 14.7 14.6 35.8 14 17 A L G X S+ 0 0 39 -3,-2.0 3,-2.3 26,-0.5 4,-0.2 0.837 71.5 60.4 -54.9 -42.6 16.2 11.1 35.9 15 18 A P G > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.695 87.2 75.8 -59.0 -16.7 13.1 9.3 37.4 16 19 A L G < S+ 0 0 28 -3,-2.2 -2,-0.2 1,-0.3 9,-0.1 0.746 94.4 51.8 -64.0 -20.5 11.1 10.3 34.3 17 20 A L G < S+ 0 0 42 -3,-2.3 2,-1.8 -4,-0.3 -1,-0.3 0.438 82.1 96.0 -94.4 -1.7 13.0 7.6 32.5 18 21 A N < + 0 0 117 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 -0.536 68.9 98.4 -86.7 68.7 12.1 5.0 35.2 19 22 A T S S- 0 0 64 -2,-1.8 6,-0.0 1,-0.1 -3,-0.0 -0.963 83.5-116.2-151.3 157.8 9.2 3.8 33.1 20 23 A D S S+ 0 0 142 -2,-0.3 412,-0.6 1,-0.2 -1,-0.1 0.773 112.2 39.7 -66.7 -28.0 8.4 1.0 30.8 21 24 A K > + 0 0 73 1,-0.1 4,-1.9 410,-0.1 -1,-0.2 -0.618 64.4 158.8-129.1 68.6 7.8 3.4 27.9 22 25 A P H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 74.7 50.7 -63.0 -40.5 10.5 6.2 28.0 23 26 A V H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.957 112.0 47.9 -63.8 -44.4 10.3 7.4 24.4 24 27 A Q H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 111.7 52.0 -62.5 -36.2 6.5 7.7 24.5 25 28 A A H X S+ 0 0 32 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.908 109.7 47.9 -61.8 -44.1 7.0 9.6 27.8 26 29 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.842 108.3 55.5 -69.9 -32.6 9.5 12.0 26.2 27 30 A M H X S+ 0 0 14 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 106.6 50.2 -63.3 -40.7 7.1 12.5 23.2 28 31 A K H X S+ 0 0 141 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.822 110.7 50.5 -66.7 -34.0 4.4 13.5 25.7 29 32 A I H X S+ 0 0 17 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.901 109.0 50.9 -67.2 -44.5 6.9 16.0 27.2 30 33 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.887 106.3 54.6 -62.7 -37.2 7.7 17.4 23.8 31 34 A D H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.7 40.5 -59.4 -34.7 4.0 17.9 23.1 32 35 A E H < S+ 0 0 136 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.860 127.2 28.7 -80.5 -41.3 3.8 19.9 26.3 33 36 A L H < S- 0 0 51 -4,-2.8 3,-0.3 1,-0.3 2,-0.2 0.664 99.6-134.8-104.3 -22.7 7.1 21.8 26.1 34 37 A G < - 0 0 32 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.627 53.1 -15.1 108.3-158.9 7.8 22.2 22.4 35 38 A E S S+ 0 0 54 -2,-0.2 15,-2.3 1,-0.1 16,-0.7 0.601 123.2 24.7 -67.4 -17.4 10.8 21.9 20.1 36 39 A I E +A 49 0A 3 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.987 61.0 168.4-150.1 134.7 13.5 21.8 22.7 37 40 A F E -A 48 0A 0 11,-1.4 11,-2.8 -2,-0.3 2,-0.3 -0.994 30.5-120.7-145.2 152.8 13.7 21.0 26.4 38 41 A K E -A 47 0A 64 -35,-2.9 2,-0.4 -2,-0.3 9,-0.2 -0.680 21.9-166.9 -89.1 142.2 16.5 20.4 28.9 39 42 A F E -A 46 0A 0 7,-2.7 7,-2.4 -2,-0.3 2,-0.4 -0.979 9.2-170.2-133.0 116.2 16.8 17.0 30.7 40 43 A E E +A 45 0A 36 -2,-0.4 -27,-2.2 5,-0.2 -26,-0.5 -0.859 12.3 170.8-113.7 141.9 19.0 16.8 33.7 41 44 A A E > -A 44 0A 4 3,-2.6 3,-1.9 -2,-0.4 -29,-0.1 -0.874 57.8 -63.3-131.2 166.2 20.3 13.8 35.7 42 45 A P T 3 S- 0 0 67 0, 0.0 -31,-0.1 0, 0.0 3,-0.1 -0.376 124.8 -2.9 -50.9 122.8 22.9 13.8 38.4 43 46 A G T 3 S+ 0 0 92 1,-0.1 2,-0.3 -2,-0.1 -3,-0.0 0.333 124.0 77.6 77.7 -6.4 26.1 14.8 36.7 44 47 A R E < -A 41 0A 79 -3,-1.9 -3,-2.6 2,-0.0 2,-0.3 -0.962 48.7-173.1-138.3 154.8 24.6 15.1 33.2 45 48 A V E +A 40 0A 37 -2,-0.3 304,-0.6 -5,-0.2 2,-0.3 -0.997 7.7 173.9-139.6 140.8 22.5 17.3 30.9 46 49 A T E -Ab 39 349A 4 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.5 -0.980 23.5-135.5-141.6 156.5 21.1 16.8 27.5 47 50 A R E -Ab 38 350A 17 302,-1.4 304,-2.7 -2,-0.3 2,-0.5 -0.961 17.1-142.5-115.1 123.0 18.7 18.8 25.3 48 51 A Y E -Ab 37 351A 14 -11,-2.8 -11,-1.4 -2,-0.5 2,-0.4 -0.765 15.3-159.0 -91.3 125.4 15.9 17.0 23.5 49 52 A L E +Ab 36 352A 0 302,-2.8 304,-2.5 -2,-0.5 308,-0.2 -0.836 23.5 161.8-109.2 137.3 15.1 18.3 20.0 50 53 A S + 0 0 10 -15,-2.3 2,-0.3 -2,-0.4 309,-0.2 0.431 48.6 84.7-130.3 -9.4 11.8 17.7 18.2 51 54 A S > - 0 0 10 -16,-0.7 4,-2.8 1,-0.1 3,-0.3 -0.809 68.9-135.1-106.9 147.4 11.6 20.2 15.4 52 55 A Q H > S+ 0 0 22 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.871 105.4 63.7 -62.1 -36.8 12.9 20.0 11.9 53 56 A R H > S+ 0 0 84 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.885 114.6 29.8 -52.1 -45.6 14.2 23.7 12.3 54 57 A L H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 3,-0.4 0.860 116.9 57.0 -87.4 -35.8 16.5 22.7 15.1 55 58 A I H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.886 99.4 60.8 -65.2 -35.4 17.3 19.1 14.0 56 59 A K H < S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.903 108.0 44.7 -57.8 -37.3 18.5 20.4 10.6 57 60 A E H >< S+ 0 0 43 -4,-0.6 3,-1.8 -3,-0.4 -1,-0.2 0.898 109.0 55.3 -69.4 -45.4 21.2 22.3 12.5 58 61 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.771 102.5 59.7 -54.1 -26.6 22.0 19.4 14.8 59 62 A C T 3< S+ 0 0 5 -4,-1.7 2,-0.9 -5,-0.2 -1,-0.3 0.403 73.7 112.7 -89.9 3.1 22.6 17.4 11.6 60 63 A D X> - 0 0 61 -3,-1.8 4,-2.1 1,-0.2 3,-1.9 -0.680 56.9-157.9 -75.0 104.6 25.4 19.7 10.4 61 64 A E T 34 S+ 0 0 87 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.669 88.1 63.7 -63.7 -19.1 28.5 17.5 10.7 62 65 A S T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.736 116.5 29.7 -70.7 -20.9 30.8 20.5 10.8 63 66 A R T <4 S+ 0 0 52 -3,-1.9 270,-2.6 1,-0.3 271,-0.6 0.711 124.5 31.8-110.8 -30.0 29.1 21.4 14.2 64 67 A F E < -C 332 0A 4 -4,-2.1 2,-0.3 268,-0.2 -1,-0.3 -0.987 57.6-169.9-138.7 147.0 27.9 18.2 15.8 65 68 A D E -C 331 0A 20 266,-2.0 266,-2.5 -2,-0.3 2,-0.1 -0.843 41.7 -74.4-129.3 162.2 29.1 14.6 15.9 66 69 A K E -C 330 0A 30 -2,-0.3 22,-0.4 264,-0.2 2,-0.3 -0.355 45.6-157.5 -57.6 129.6 27.6 11.3 17.1 67 70 A N - 0 0 10 262,-2.2 2,-0.7 283,-0.2 262,-0.5 -0.823 14.7-129.4-104.5 149.7 27.6 11.0 20.9 68 71 A L - 0 0 2 -2,-0.3 17,-0.1 260,-0.1 262,-0.1 -0.898 25.5-145.6 -97.8 110.9 27.5 7.6 22.7 69 72 A S > - 0 0 31 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.184 32.5 -98.7 -62.3 164.5 24.7 7.8 25.3 70 73 A Q H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 126.4 56.7 -56.0 -37.4 25.2 6.0 28.6 71 74 A A H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 107.4 45.9 -53.1 -54.2 23.1 3.2 27.2 72 75 A L H > S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.839 110.5 55.6 -60.4 -35.1 25.3 2.8 24.2 73 76 A K H < S+ 0 0 88 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.898 108.1 46.4 -65.2 -41.0 28.3 2.9 26.6 74 77 A F H >< S+ 0 0 49 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.893 111.0 53.1 -67.1 -36.9 27.0 -0.0 28.7 75 78 A V H >X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.3 3,-2.2 0.778 92.3 74.3 -68.2 -28.9 26.2 -2.0 25.4 76 79 A R H 3X S+ 0 0 68 -4,-1.3 4,-1.6 1,-0.3 -1,-0.3 0.739 75.9 79.9 -57.5 -22.2 29.9 -1.4 24.4 77 80 A D H <4 S+ 0 0 88 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.775 116.7 12.3 -56.1 -24.6 30.7 -4.1 27.0 78 81 A F H <4 S+ 0 0 1 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.2 0.588 130.1 51.7-125.7 -19.6 29.7 -6.6 24.3 79 82 A A H >< S- 0 0 2 -4,-2.5 3,-2.0 1,-0.2 6,-0.3 0.522 84.5-179.6 -93.0 -6.9 29.4 -4.6 21.1 80 83 A G T 3< - 0 0 5 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.089 60.5 -23.2 53.4-138.6 32.9 -3.2 21.6 81 84 A D T 3 S+ 0 0 32 5,-0.1 -1,-0.2 3,-0.1 5,-0.1 -0.137 93.9 141.5-103.1 39.0 34.2 -0.8 19.0 82 85 A G S < S- 0 0 0 -3,-2.0 3,-0.4 171,-0.1 4,-0.4 -0.106 72.9 -87.0 -59.3 170.9 31.9 -2.1 16.3 83 86 A L S > S+ 0 0 16 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.845 124.3 48.9 -61.3 -36.1 30.4 0.5 14.0 84 87 A F T 3 S+ 0 0 108 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.1 0.819 117.1 38.2 -75.2 -32.2 27.4 1.4 16.2 85 88 A T T 3 S+ 0 0 2 -3,-0.4 2,-0.3 -6,-0.3 -1,-0.2 0.104 95.6 99.0-110.8 23.4 29.2 1.9 19.5 86 89 A S S < S- 0 0 0 -3,-0.6 2,-0.2 -4,-0.4 -5,-0.1 -0.832 73.0-118.0-106.9 148.1 32.4 3.5 18.3 87 90 A W > - 0 0 54 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.562 27.7-117.7 -74.9 149.5 33.2 7.2 18.4 88 91 A T T 3 S+ 0 0 23 -22,-0.4 6,-0.3 1,-0.3 -1,-0.1 0.805 114.1 55.8 -59.0 -30.8 33.9 8.8 15.0 89 92 A H T 3 S+ 0 0 135 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.519 81.6 105.0 -84.8 -6.1 37.4 9.6 16.0 90 93 A E S X> S- 0 0 45 -3,-2.0 3,-2.0 1,-0.1 4,-1.0 -0.587 76.2-129.2 -73.5 132.7 38.4 6.0 16.9 91 94 A K H 3> S+ 0 0 122 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.864 106.5 57.7 -48.2 -43.4 40.6 4.4 14.3 92 95 A N H 3> S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.677 96.4 64.2 -69.0 -16.7 38.4 1.4 14.1 93 96 A W H <> S+ 0 0 7 -3,-2.0 4,-2.6 -6,-0.3 5,-0.2 0.985 110.7 33.1 -67.2 -61.2 35.3 3.4 13.2 94 97 A K H X S+ 0 0 72 -4,-1.0 4,-2.9 -6,-0.3 5,-0.2 0.896 117.6 56.2 -65.8 -33.9 36.5 4.8 9.8 95 98 A K H X S+ 0 0 15 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.954 113.5 39.0 -61.9 -50.1 38.5 1.6 9.1 96 99 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.894 113.6 56.2 -69.7 -34.6 35.4 -0.7 9.4 97 100 A H H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.947 110.1 45.1 -59.8 -47.9 33.2 1.9 7.7 98 101 A N H < S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.3 46.9 -65.7 -36.6 35.4 1.9 4.7 99 102 A I H < S+ 0 0 13 -4,-1.9 4,-0.2 -5,-0.2 -1,-0.2 0.892 119.8 38.1 -70.1 -38.6 35.8 -1.9 4.6 100 103 A L H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 4,-0.4 0.719 89.9 84.8 -91.9 -22.1 32.1 -2.6 5.0 101 104 A L G >< S+ 0 0 84 -4,-2.2 3,-2.1 1,-0.3 4,-0.3 0.894 89.9 52.7 -53.1 -46.1 30.3 0.1 3.0 102 105 A P G > S+ 0 0 86 0, 0.0 3,-0.7 0, 0.0 6,-0.3 0.787 103.5 59.4 -60.8 -22.2 30.5 -1.8 -0.3 103 106 A S G < S+ 0 0 6 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.489 108.9 44.6 -80.1 -4.1 29.0 -4.9 1.4 104 107 A F G < S+ 0 0 8 -3,-2.1 297,-0.4 -4,-0.4 -1,-0.2 0.276 87.7 117.2-122.7 11.5 25.9 -2.8 2.2 105 108 A S S <> S- 0 0 39 -3,-0.7 4,-1.3 -4,-0.3 293,-0.0 -0.242 81.0-106.2 -79.8 165.7 25.3 -1.0 -1.0 106 109 A Q H >> S+ 0 0 48 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.926 124.2 55.5 -54.8 -42.8 22.3 -1.4 -3.2 107 110 A Q H >4 S+ 0 0 130 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.914 102.0 56.4 -56.0 -43.6 24.5 -3.4 -5.6 108 111 A A H >> S+ 0 0 22 -6,-0.3 4,-1.4 1,-0.2 3,-1.2 0.783 92.5 71.1 -57.0 -29.0 25.4 -5.8 -2.7 109 112 A M H X S+ 0 0 12 -4,-1.4 4,-2.1 1,-0.2 3,-0.6 0.651 89.9 90.6 -77.7 -21.1 22.0 -11.3 -0.6 113 116 A H H 3X S+ 0 0 16 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.865 81.7 52.3 -51.8 -46.3 18.7 -11.6 -2.4 114 117 A A H 3> S+ 0 0 74 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.899 112.1 45.6 -60.6 -41.7 18.6 -15.4 -2.8 115 118 A M H <> S+ 0 0 60 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.842 109.5 55.3 -68.7 -34.9 19.3 -16.0 0.9 116 119 A M H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.907 107.6 50.5 -60.6 -43.8 16.7 -13.4 1.9 117 120 A V H X S+ 0 0 16 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.880 102.3 61.9 -60.5 -38.1 14.2 -15.4 -0.2 118 121 A D H X S+ 0 0 57 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.948 111.3 36.9 -54.5 -49.5 15.2 -18.6 1.6 119 122 A I H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.901 114.0 56.4 -74.2 -35.7 14.0 -17.1 4.9 120 123 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.906 106.0 51.6 -63.0 -38.1 11.0 -15.3 3.4 121 124 A V H X S+ 0 0 21 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.899 105.7 55.8 -64.3 -39.6 9.8 -18.6 1.9 122 125 A Q H X S+ 0 0 27 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.902 109.2 46.4 -58.5 -41.0 10.1 -20.2 5.4 123 126 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.961 112.8 48.5 -64.2 -49.0 7.8 -17.5 6.8 124 127 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.924 112.5 50.1 -59.9 -43.0 5.2 -17.8 4.0 125 128 A Q H X S+ 0 0 67 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.902 106.6 54.6 -63.7 -40.1 5.3 -21.7 4.4 126 129 A K H >< S+ 0 0 64 -4,-2.2 3,-0.5 -5,-0.2 4,-0.4 0.960 112.0 44.0 -55.1 -50.1 4.7 -21.4 8.2 127 130 A W H >< S+ 0 0 8 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.875 109.6 54.9 -66.4 -35.3 1.6 -19.3 7.6 128 131 A E H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 107.8 53.5 -62.4 -27.6 0.3 -21.5 4.8 129 132 A R T << S+ 0 0 176 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.451 80.8 111.4 -94.6 0.7 0.6 -24.4 7.3 130 133 A L S < S- 0 0 55 -3,-1.1 2,-0.1 -4,-0.4 6,-0.0 -0.448 71.0-115.1 -71.5 149.2 -1.5 -22.9 10.1 131 134 A N > - 0 0 102 -2,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.381 31.7-101.1 -79.2 163.0 -4.8 -24.6 10.8 132 135 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.816 119.0 50.5 -61.3 -32.1 -8.0 -22.6 10.3 133 136 A D T 3 S+ 0 0 131 2,-0.0 -1,-0.3 311,-0.0 2,-0.1 0.339 96.1 93.1 -88.0 10.2 -8.6 -21.8 14.0 134 137 A E < - 0 0 71 -3,-1.9 2,-0.3 1,-0.0 -4,-0.0 -0.410 56.0-154.6-100.4 173.3 -5.0 -20.5 14.6 135 138 A H - 0 0 85 -2,-0.1 2,-0.4 309,-0.1 309,-0.2 -0.875 18.3-107.2-141.0 172.0 -3.5 -17.0 14.5 136 139 A I E -E 443 0B 2 307,-3.0 307,-1.5 -2,-0.3 2,-0.9 -0.894 11.2-145.8-107.1 132.8 -0.2 -15.3 13.9 137 140 A E E > -E 442 0B 100 -2,-0.4 4,-2.2 305,-0.2 305,-0.2 -0.864 26.2-161.7 -91.0 100.5 1.9 -13.6 16.6 138 141 A V H > S+ 0 0 0 303,-1.7 4,-2.6 -2,-0.9 5,-0.3 0.930 77.5 41.2 -63.5 -56.8 3.2 -10.9 14.3 139 142 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.888 114.3 54.3 -59.8 -38.5 6.3 -9.5 16.0 140 143 A E H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.943 113.0 42.1 -58.5 -45.2 7.5 -12.9 17.0 141 144 A D H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.871 112.7 52.9 -72.4 -34.4 7.3 -14.2 13.4 142 145 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.867 109.3 50.3 -66.9 -33.0 8.8 -11.0 12.0 143 146 A T H X S+ 0 0 12 -4,-2.2 4,-2.5 -5,-0.3 5,-0.4 0.877 106.1 55.1 -71.8 -36.4 11.7 -11.4 14.4 144 147 A R H X S+ 0 0 43 -4,-1.9 4,-1.8 1,-0.2 17,-0.3 0.936 113.0 45.0 -55.9 -44.7 12.2 -15.0 13.3 145 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 115.5 43.0 -67.1 -50.6 12.5 -13.7 9.8 146 149 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.926 114.5 48.3 -70.1 -40.6 14.8 -10.8 10.4 147 150 A L H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.924 114.3 46.9 -60.8 -47.3 17.2 -12.6 12.7 148 151 A D H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.4 5,-0.2 0.867 109.9 54.0 -65.1 -33.4 17.5 -15.5 10.4 149 152 A T H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.930 111.1 44.0 -67.7 -47.9 18.0 -13.3 7.4 150 153 A I H X S+ 0 0 5 -4,-2.4 4,-2.0 112,-0.2 5,-0.4 0.932 114.2 51.3 -65.8 -37.9 20.9 -11.4 8.9 151 154 A G H X S+ 0 0 0 -4,-2.4 6,-2.1 -5,-0.2 4,-1.9 0.916 119.3 35.4 -60.4 -42.3 22.5 -14.6 10.3 152 155 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 4,-0.3 -2,-0.2 0.946 122.7 40.1 -80.4 -51.6 22.3 -16.3 6.9 153 156 A C H < S+ 0 0 0 -4,-2.5 77,-0.6 -5,-0.2 -3,-0.2 0.875 123.9 44.1 -64.5 -37.1 23.0 -13.5 4.5 154 157 A G H < S- 0 0 0 -4,-2.0 77,-2.0 -5,-0.5 76,-0.3 0.912 137.5 -4.2 -71.8 -49.2 25.6 -12.2 6.8 155 158 A F H < S- 0 0 5 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.213 89.5-109.4-144.4 12.3 27.7 -15.2 8.0 156 159 A N S < S+ 0 0 69 -4,-1.6 2,-0.5 1,-0.2 -4,-0.3 0.859 72.9 138.5 51.9 40.9 26.0 -18.2 6.5 157 160 A Y - 0 0 64 -6,-2.1 2,-0.7 -7,-0.1 -1,-0.2 -0.964 45.9-144.7-116.9 132.6 24.8 -19.3 10.0 158 161 A R - 0 0 94 -2,-0.5 -10,-0.1 1,-0.2 -9,-0.1 -0.846 17.7-179.7-101.9 112.3 21.3 -20.7 10.4 159 162 A F - 0 0 2 -2,-0.7 -1,-0.2 -11,-0.1 4,-0.1 0.703 30.3-149.2 -75.9 -21.5 19.6 -19.8 13.7 160 163 A N > + 0 0 55 1,-0.1 3,-1.9 -3,-0.1 4,-0.1 0.888 30.0 168.4 54.1 49.1 16.6 -21.9 12.4 161 164 A S G > + 0 0 13 -17,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.746 68.9 61.6 -67.8 -23.8 14.1 -19.7 14.2 162 165 A F G 3 S+ 0 0 36 1,-0.2 -1,-0.3 -18,-0.2 -2,-0.1 0.566 100.3 56.5 -79.9 -6.4 11.2 -21.2 12.4 163 166 A Y G < S+ 0 0 182 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.2 0.300 102.5 78.2 -96.9 6.8 12.1 -24.6 14.0 164 167 A R < - 0 0 85 -3,-1.1 4,-0.1 1,-0.1 -4,-0.0 -0.911 44.7-178.3-130.8 143.0 12.0 -23.2 17.5 165 168 A D S S+ 0 0 150 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.720 90.3 47.7 -90.3 -42.7 9.6 -22.2 20.3 166 169 A Q S S- 0 0 152 1,-0.1 -1,-0.2 0, 0.0 6,-0.0 -0.840 102.0-100.7-103.0 141.2 12.4 -21.0 22.5 167 170 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.107 42.7 -88.9 -64.4 158.1 15.0 -18.8 21.1 168 171 A H >> - 0 0 18 1,-0.1 4,-2.0 -4,-0.1 3,-0.9 -0.356 45.4-112.2 -52.5 138.7 18.4 -20.0 20.1 169 172 A P H 3> S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.805 117.3 59.3 -53.0 -31.0 20.7 -19.7 23.2 170 173 A F H 3> S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.917 107.2 46.7 -62.2 -41.3 22.7 -16.9 21.6 171 174 A I H <> S+ 0 0 8 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.884 108.0 55.1 -69.9 -38.7 19.6 -14.8 21.3 172 175 A T H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.947 114.0 41.9 -56.6 -47.2 18.5 -15.6 24.8 173 176 A S H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.876 113.6 51.8 -68.2 -38.2 21.9 -14.3 25.9 174 177 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.923 113.2 45.1 -63.4 -44.8 21.9 -11.3 23.5 175 178 A V H X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.907 114.1 47.7 -68.6 -41.5 18.5 -10.2 24.7 176 179 A R H X S+ 0 0 91 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.841 111.5 51.2 -69.7 -30.7 19.3 -10.6 28.4 177 180 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.890 111.1 47.9 -70.3 -43.0 22.6 -8.7 28.0 178 181 A L H X S+ 0 0 8 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.885 111.6 50.1 -64.1 -40.1 20.8 -5.8 26.3 179 182 A D H X S+ 0 0 82 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.926 112.0 47.9 -64.8 -42.3 18.2 -5.8 29.0 180 183 A E H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 107.9 55.6 -63.4 -46.7 21.0 -5.7 31.7 181 184 A A H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.876 113.7 40.1 -50.6 -43.0 22.8 -2.9 29.9 182 185 A M H >< S+ 0 0 43 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.734 107.5 62.1 -86.7 -21.1 19.7 -0.7 29.9 183 186 A N H >< S+ 0 0 71 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.826 93.8 65.1 -66.4 -32.9 18.7 -1.8 33.5 184 187 A K T 3< S+ 0 0 41 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.661 80.0 80.6 -63.4 -17.9 22.1 -0.3 34.7 185 188 A L T < S+ 0 0 59 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.379 96.1 48.4 -68.9 4.2 20.7 3.1 33.6 186 189 A Q S < S+ 0 0 63 -3,-1.3 -1,-0.3 -168,-0.0 2,-0.2 -0.611 82.5 104.1-147.4 76.0 18.8 3.1 36.9 187 190 A R - 0 0 44 -3,-0.4 -3,-0.0 -2,-0.1 -4,-0.0 -0.784 41.7-167.3-161.7 113.6 21.2 2.1 39.8 188 191 A A S S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.944 92.0 29.0 -65.8 -51.9 22.7 4.4 42.4 189 192 A N > + 0 0 108 1,-0.1 3,-1.9 2,-0.0 -1,-0.3 -0.823 65.7 178.4-114.3 87.9 25.3 1.9 43.8 190 193 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.757 82.1 58.5 -60.1 -24.4 26.2 -0.4 40.9 191 194 A D T 3 S+ 0 0 136 -3,-0.1 5,-0.0 3,-0.1 -2,-0.0 0.323 76.5 124.9 -93.2 7.0 28.7 -2.2 43.3 192 195 A D S X S- 0 0 70 -3,-1.9 3,-1.8 1,-0.1 4,-0.1 -0.406 71.9-122.4 -61.8 140.0 26.0 -3.1 45.8 193 196 A P G > S+ 0 0 91 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.762 106.7 76.1 -53.7 -29.3 25.9 -6.9 46.5 194 197 A A G 3 S+ 0 0 68 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.770 96.5 48.8 -53.8 -26.2 22.2 -6.9 45.4 195 198 A Y G <> S+ 0 0 66 -3,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.352 78.5 101.3 -99.9 5.7 23.5 -6.7 41.9 196 199 A D H <> S+ 0 0 94 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.874 83.8 49.0 -56.6 -42.4 26.1 -9.5 42.1 197 200 A E H > S+ 0 0 103 -4,-0.4 4,-2.7 -3,-0.3 5,-0.2 0.917 107.6 54.7 -63.0 -46.5 23.8 -12.0 40.3 198 201 A N H > S+ 0 0 55 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.844 110.0 47.6 -53.3 -40.9 23.1 -9.5 37.5 199 202 A K H X S+ 0 0 74 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.903 110.2 50.0 -70.0 -46.9 26.9 -9.2 36.9 200 203 A R H X S+ 0 0 115 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.934 113.4 47.3 -56.4 -46.8 27.5 -12.9 36.9 201 204 A Q H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.899 109.2 54.2 -63.3 -41.7 24.7 -13.4 34.4 202 205 A F H X S+ 0 0 6 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.920 109.5 46.8 -59.0 -45.2 26.0 -10.5 32.3 203 206 A Q H X S+ 0 0 117 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.879 112.0 50.8 -68.2 -35.1 29.5 -12.1 32.0 204 207 A E H X S+ 0 0 79 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.903 111.3 48.9 -64.2 -42.5 27.9 -15.5 31.2 205 208 A D H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.879 110.0 50.7 -69.5 -40.5 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12.8 27.6 -23.4 539 84 B D T 3 S+ 0 0 32 5,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.143 93.9 142.0-100.8 39.6 14.1 25.0 -20.9 540 85 B G S < S- 0 0 0 -3,-2.0 3,-0.5 171,-0.1 4,-0.4 -0.142 72.5 -86.9 -60.7 171.0 11.8 26.2 -18.2 541 86 B L S > S+ 0 0 18 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.843 124.3 47.6 -59.0 -38.2 10.3 23.4 -16.0 542 87 B F T 3 S+ 0 0 111 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.1 0.816 117.2 39.2 -72.8 -33.5 7.3 22.6 -18.2 543 88 B T T 3 S+ 0 0 2 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.2 0.089 96.1 99.0-110.6 21.4 9.1 22.4 -21.6 544 89 B S S < S- 0 0 0 -3,-0.6 2,-0.3 -4,-0.4 -5,-0.1 -0.793 72.3-119.4-105.7 150.0 12.3 20.7 -20.5 545 90 B W > - 0 0 52 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.626 28.2-117.4 -79.4 150.9 13.1 17.0 -20.8 546 91 B T T 3 S+ 0 0 24 -22,-0.4 6,-0.3 1,-0.3 -1,-0.1 0.788 114.1 56.5 -60.2 -29.5 13.8 15.3 -17.5 547 92 B H T 3 S+ 0 0 133 4,-0.1 2,-0.3 5,-0.1 -1,-0.3 0.493 80.7 105.6 -85.1 -2.9 17.4 14.6 -18.7 548 93 B E S X> S- 0 0 43 -3,-2.0 3,-1.7 1,-0.1 4,-1.1 -0.613 75.4-130.7 -77.0 133.2 18.3 18.3 -19.3 549 94 B K H 3> S+ 0 0 122 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.874 106.4 57.2 -50.5 -43.3 20.5 19.6 -16.6 550 95 B N H 3> S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.688 97.9 63.0 -66.0 -19.8 18.3 22.7 -16.2 551 96 B W H <> S+ 0 0 8 -3,-1.7 4,-2.7 -6,-0.3 5,-0.2 0.981 110.0 34.8 -64.2 -60.3 15.3 20.5 -15.4 552 97 B K H X S+ 0 0 54 -4,-1.1 4,-2.8 -6,-0.3 5,-0.2 0.913 117.7 54.5 -68.9 -34.2 16.6 18.9 -12.2 553 98 B K H X S+ 0 0 15 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.953 113.6 39.8 -58.7 -50.8 18.4 22.0 -11.2 554 99 B A H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.896 113.9 55.3 -70.0 -36.6 15.3 24.2 -11.4 555 100 B H H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.948 111.3 43.6 -57.4 -50.8 13.2 21.5 -9.9 556 101 B N H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.4 46.9 -65.6 -37.0 15.4 21.2 -6.8 557 102 B I H < S+ 0 0 14 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.861 119.1 38.7 -69.8 -36.6 15.7 25.0 -6.4 558 103 B L H >< S+ 0 0 0 -4,-2.5 3,-1.2 -5,-0.2 4,-0.5 0.676 90.4 84.9 -93.9 -20.2 12.0 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117 B A H 3> S+ 0 0 74 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.896 112.0 46.0 -60.3 -40.8 -1.4 38.0 2.0 573 118 B M H <> S+ 0 0 50 -3,-0.6 4,-1.7 -4,-0.3 -1,-0.2 0.854 109.8 54.2 -70.3 -34.8 -0.7 38.8 -1.7 574 119 B M H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.918 107.8 51.6 -60.5 -41.9 -3.4 36.3 -2.8 575 120 B V H X S+ 0 0 15 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.878 102.8 60.0 -62.7 -38.4 -5.8 38.1 -0.5 576 121 B D H X S+ 0 0 56 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.950 111.9 38.4 -53.7 -51.1 -4.8 41.5 -2.1 577 122 B I H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.901 113.7 54.7 -71.1 -38.3 -6.0 40.2 -5.5 578 123 B A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.882 106.7 52.1 -62.3 -37.7 -9.0 38.3 -4.2 579 124 B V H X S+ 0 0 18 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.890 105.8 55.9 -66.9 -37.1 -10.3 41.5 -2.4 580 125 B Q H X S+ 0 0 26 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.885 109.0 46.6 -59.2 -40.6 -9.9 43.3 -5.8 581 126 B L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.956 113.1 48.1 -65.8 -47.9 -12.2 40.7 -7.4 582 127 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 112.1 49.9 -60.0 -46.1 -14.8 40.9 -4.6 583 128 B Q H X S+ 0 0 68 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.911 106.6 55.6 -59.1 -42.9 -14.8 44.7 -4.7 584 129 B K H < S+ 0 0 65 -4,-2.1 3,-0.4 1,-0.2 4,-0.4 0.951 112.1 42.9 -53.3 -50.0 -15.3 44.7 -8.5 585 130 B W H >< S+ 0 0 6 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.854 109.9 55.3 -68.4 -35.1 -18.4 42.6 -8.1 586 131 B E H 3< S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 107.7 53.8 -60.2 -27.6 -19.7 44.6 -5.1 587 132 B R T 3< S+ 0 0 174 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.465 81.4 111.1 -93.9 -1.9 -19.4 47.7 -7.3 588 133 B L S < S- 0 0 53 -3,-0.9 2,-0.1 -4,-0.4 6,-0.0 -0.431 70.1-117.6 -70.5 147.3 -21.5 46.4 -10.3 589 134 B N > - 0 0 104 -2,-0.1 3,-2.1 1,-0.1 -1,-0.1 -0.430 31.7 -99.4 -82.6 162.6 -24.9 48.0 -10.8 590 135 B A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.800 118.9 48.7 -56.3 -36.7 -28.1 46.0 -10.6 591 136 B D T 3 S+ 0 0 128 2,-0.0 -1,-0.3 311,-0.0 2,-0.1 0.344 96.4 95.5 -89.3 11.7 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106.1 55.3 -73.6 -33.5 -8.3 35.2 -15.4 602 147 B R H X S+ 0 0 35 -4,-1.8 4,-1.8 -5,-0.2 17,-0.3 0.936 113.0 44.3 -55.4 -45.4 -7.9 38.7 -14.1 603 148 B L H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.955 116.0 43.0 -67.6 -51.8 -7.6 37.2 -10.7 604 149 B T H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.910 115.0 47.9 -70.2 -38.4 -5.3 34.3 -11.5 605 150 B L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 113.9 46.6 -64.3 -46.5 -2.9 36.2 -13.7 606 151 B D H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.4 5,-0.2 0.854 110.4 55.5 -64.7 -31.5 -2.5 39.1 -11.2 607 152 B T H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.934 109.9 42.8 -70.2 -46.6 -2.0 36.6 -8.4 608 153 B I H X S+ 0 0 6 -4,-2.3 4,-1.9 112,-0.2 5,-0.4 0.912 114.6 52.7 -66.1 -35.1 0.9 34.8 -10.0 609 154 B G H X S+ 0 0 0 -4,-2.2 6,-2.0 -5,-0.2 4,-1.8 0.929 118.1 35.7 -64.2 -43.2 2.4 38.2 -11.1 610 155 B L H X S+ 0 0 1 -4,-2.4 4,-1.6 4,-0.3 -2,-0.2 0.949 122.0 41.1 -76.3 -52.3 2.3 39.6 -7.6 611 156 B C H < S+ 0 0 0 -4,-2.6 77,-0.6 -5,-0.2 -3,-0.2 0.869 124.4 40.3 -65.4 -36.8 3.0 36.6 -5.5 612 157 B G H < S+ 0 0 0 -4,-1.9 77,-2.1 -5,-0.4 76,-0.3 0.903 137.0 1.4 -77.9 -44.9 5.7 35.4 -7.8 613 158 B F H < S- 0 0 6 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.230 88.8-112.7-138.4 10.0 7.6 38.5 -9.0 614 159 B N S < S+ 0 0 91 -4,-1.6 2,-0.5 1,-0.2 -4,-0.3 0.843 72.2 137.9 52.5 37.7 6.1 41.5 -7.2 615 160 B Y - 0 0 61 -6,-2.0 2,-0.7 -7,-0.1 -1,-0.2 -0.961 46.4-146.2-115.8 127.9 4.7 42.8 -10.5 616 161 B R - 0 0 96 -2,-0.5 -10,-0.1 1,-0.2 -9,-0.1 -0.841 15.7-177.3 -98.2 112.3 1.2 44.2 -10.8 617 162 B F - 0 0 2 -2,-0.7 -1,-0.2 -11,-0.1 4,-0.1 0.718 29.4-148.2 -73.0 -19.9 -0.5 43.5 -14.1 618 163 B N > + 0 0 57 1,-0.1 3,-1.8 -3,-0.1 4,-0.1 0.905 31.5 167.5 52.5 48.4 -3.4 45.6 -12.7 619 164 B S G > + 0 0 14 -17,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.769 67.8 62.5 -67.0 -27.8 -5.9 43.5 -14.6 620 165 B F G 3 S+ 0 0 34 1,-0.2 -1,-0.3 -18,-0.2 -2,-0.1 0.479 100.3 55.7 -76.8 0.1 -8.9 44.9 -12.7 621 166 B Y G < S+ 0 0 179 -3,-1.8 2,-0.4 -4,-0.1 -1,-0.2 0.319 102.0 75.4-103.3 4.1 -8.0 48.4 -14.1 622 167 B R < - 0 0 87 -3,-1.3 4,-0.1 1,-0.1 -4,-0.0 -0.908 47.2-172.4-129.1 145.1 -8.1 47.3 -17.7 623 168 B D S S+ 0 0 162 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.811 88.1 45.4 -89.7 -47.7 -10.6 46.4 -20.4 624 169 B Q S S- 0 0 158 1,-0.1 -1,-0.1 0, 0.0 6,-0.0 -0.749 103.7 -92.5 -98.5 148.1 -8.0 45.2 -22.9 625 170 B P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.117 46.7 -88.8 -62.3 155.1 -5.2 42.8 -21.8 626 171 B H >> - 0 0 13 1,-0.1 4,-1.9 -4,-0.1 3,-1.1 -0.324 44.1-111.8 -49.4 138.4 -1.8 44.0 -20.6 627 172 B P H 3> S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.812 118.5 57.4 -47.7 -38.1 0.5 44.3 -23.7 628 173 B F H 3> S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.899 107.0 48.3 -58.7 -40.1 2.6 41.4 -22.3 629 174 B I H <> S+ 0 0 8 -3,-1.1 4,-2.9 2,-0.2 5,-0.2 0.847 105.5 57.3 -73.5 -37.2 -0.5 39.2 -22.3 630 175 B T H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.939 112.5 42.1 -55.0 -46.7 -1.5 40.1 -25.8 631 176 B S H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.889 113.7 51.4 -70.5 -40.4 1.9 38.9 -26.9 632 177 B M H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 112.1 46.6 -61.5 -43.6 1.8 35.8 -24.7 633 178 B V H X S+ 0 0 50 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.902 114.4 46.7 -67.0 -42.7 -1.6 34.8 -26.0 634 179 B R H X S+ 0 0 90 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.762 110.6 52.8 -69.9 -30.1 -0.7 35.4 -29.7 635 180 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 111.4 46.6 -69.6 -43.3 2.6 33.5 -29.3 636 181 B L H X S+ 0 0 9 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.896 112.3 51.3 -62.0 -40.0 0.7 30.5 -27.9 637 182 B D H X S+ 0 0 74 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.927 111.0 47.0 -61.4 -48.6 -1.8 30.8 -30.7 638 183 B E H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.906 111.0 51.7 -63.1 -42.8 0.9 30.8 -33.3 639 184 B A H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.896 114.0 43.3 -60.5 -43.1 2.6 27.8 -31.7 640 185 B M H >< S+ 0 0 58 -4,-2.2 3,-1.2 1,-0.2 4,-0.2 0.873 110.9 56.3 -67.4 -38.5 -0.6 25.8 -31.7 641 186 B N H >< S+ 0 0 98 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.820 96.1 64.3 -63.5 -33.2 -1.4 27.0 -35.3 642 187 B K G >< S+ 0 0 31 -4,-1.9 3,-1.3 1,-0.3 -1,-0.3 0.748 83.9 79.0 -62.1 -23.0 1.9 25.6 -36.5 643 188 B L G < S+ 0 0 67 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.730 99.7 39.8 -58.9 -23.4 0.6 22.1 -35.5 644 189 B Q G < S+ 0 0 74 -3,-1.6 2,-0.5 -4,-0.2 -1,-0.3 -0.329 82.7 117.3-122.1 48.5 -1.4 22.1 -38.7 645 190 B R < - 0 0 36 -3,-1.3 -3,-0.0 1,-0.2 -4,-0.0 -0.961 44.4-161.3-120.8 126.7 0.7 23.6 -41.4 646 191 B A S S+ 0 0 92 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.945 92.2 13.0 -62.6 -51.3 1.7 21.5 -44.4 647 192 B N > + 0 0 114 1,-0.1 3,-1.6 3,-0.0 -1,-0.3 -0.763 67.0 174.8-131.9 86.9 4.6 23.7 -45.4 648 193 B P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.527 80.8 59.8 -73.3 -8.9 5.5 26.2 -42.5 649 194 B D T 3 S+ 0 0 132 3,-0.0 5,-0.1 2,-0.0 -2,-0.0 0.425 75.9 124.2 -94.3 -4.0 8.5 27.5 -44.4 650 195 B D S X S- 0 0 75 -3,-1.6 3,-3.2 1,-0.1 4,-0.2 -0.403 76.5-118.4 -57.5 127.0 6.3 28.6 -47.4 651 196 B P G > S+ 0 0 98 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.597 109.0 77.2 -40.7 -19.0 6.8 32.4 -48.1 652 197 B A G 3 S+ 0 0 71 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.606 92.4 51.1 -70.8 -14.1 3.1 32.8 -47.3 653 198 B Y G X> S+ 0 0 62 -3,-3.2 4,-1.7 1,-0.1 3,-0.7 0.288 72.4 109.8-109.6 8.3 3.9 32.5 -43.7 654 199 B D H <> S+ 0 0 88 -3,-1.1 4,-1.6 1,-0.2 -1,-0.1 0.748 80.9 49.2 -51.4 -32.0 6.7 35.2 -43.4 655 200 B E H 3> S+ 0 0 130 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.679 103.5 58.3 -91.4 -20.7 4.6 37.6 -41.4 656 201 B N H <> S+ 0 0 54 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.903 108.5 48.2 -64.2 -45.2 3.5 35.0 -38.9 657 202 B K H X S+ 0 0 75 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.924 111.9 48.7 -59.4 -46.8 7.2 34.5 -38.2 658 203 B R H X S+ 0 0 192 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.890 113.2 46.4 -64.3 -38.9 7.7 38.3 -37.9 659 204 B Q H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.908 111.7 52.4 -67.6 -41.1 4.7 38.7 -35.5 660 205 B F H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.920 108.9 49.9 -60.1 -45.3 6.0 35.7 -33.5 661 206 B Q H X S+ 0 0 119 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.902 110.5 49.5 -63.5 -38.5 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