==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-DEC-10 3PSX . COMPND 2 MOLECULE: BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR W.YANG,C.J.C.WHITEHOUSE,J.A.YORKE,S.G.BELL,W.ZHOU,M.BARTLAM, . 826 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 8.5 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 0.5 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 . 39 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 2 0 4 0 0 4 0 3 3 4 0 2 0 4 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 4 4 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 0 236 0, 0.0 303,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.3 15.9 28.8 30.1 2 5 A M - 0 0 23 1,-0.1 35,-0.1 35,-0.0 36,-0.1 -0.384 360.0-112.8 -72.3 132.0 15.6 25.2 28.7 3 6 A P - 0 0 44 0, 0.0 35,-3.1 0, 0.0 -1,-0.1 -0.203 38.6-178.1 -52.9 148.5 12.4 23.2 29.4 4 7 A Q - 0 0 65 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.964 22.0-119.6-153.4 137.5 13.0 20.2 31.7 5 8 A P - 0 0 18 0, 0.0 11,-0.0 0, 0.0 33,-0.0 -0.082 53.6 -55.6 -75.3-176.7 10.5 17.5 33.0 6 9 A K - 0 0 144 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.129 56.8-136.5 -65.4 148.7 9.6 16.8 36.6 7 10 A T - 0 0 89 -3,-0.1 6,-0.2 8,-0.1 3,-0.1 -0.614 14.0-149.9-113.9 167.3 12.3 15.9 39.1 8 11 A F > - 0 0 86 4,-1.4 3,-1.9 1,-0.5 4,-0.1 -0.557 51.4-100.3-135.8 52.3 12.9 13.4 41.9 9 12 A G G > S- 0 0 63 1,-0.3 3,-2.1 2,-0.2 -1,-0.5 -0.281 100.2 -3.5 65.2-134.8 15.2 15.3 44.4 10 13 A E G 3 S+ 0 0 183 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.674 129.6 67.3 -65.3 -18.5 18.9 14.3 44.1 11 14 A L G X S- 0 0 92 -3,-1.9 3,-2.1 1,-0.2 -1,-0.3 0.541 84.8-170.2 -76.1 -6.6 17.9 11.7 41.4 12 15 A K T < - 0 0 73 -3,-2.1 -4,-1.4 1,-0.3 -1,-0.2 -0.257 64.8 -22.4 55.5-123.0 17.0 14.7 39.1 13 16 A N T > S+ 0 0 0 27,-2.4 3,-2.1 -6,-0.2 4,-0.4 0.497 108.6 104.2 -95.1 0.2 15.2 13.2 36.1 14 17 A L G X S+ 0 0 56 -3,-2.1 3,-3.1 26,-0.4 4,-0.4 0.883 71.2 60.8 -53.9 -47.4 16.6 9.6 36.2 15 18 A P G > S+ 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.711 87.7 76.1 -58.1 -17.4 13.5 7.9 37.6 16 19 A L G < S+ 0 0 27 -3,-2.1 -2,-0.2 1,-0.2 9,-0.1 0.786 96.3 49.4 -59.1 -24.2 11.6 9.1 34.5 17 20 A L G < S+ 0 0 47 -3,-3.1 2,-1.9 -4,-0.4 -1,-0.2 0.477 80.5 100.4 -96.3 -1.6 13.5 6.3 32.7 18 21 A N < + 0 0 147 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.1 -0.584 65.9 92.8 -80.5 78.0 12.6 3.6 35.3 19 22 A T S S- 0 0 61 -2,-1.9 6,-0.0 1,-0.0 -3,-0.0 -0.953 84.8-120.1-164.2 149.9 9.8 2.2 33.0 20 23 A D S S+ 0 0 128 -2,-0.3 374,-0.6 1,-0.2 -2,-0.0 0.619 111.4 52.4 -80.1 -6.6 9.8 -0.5 30.5 21 24 A K > + 0 0 62 1,-0.1 4,-2.2 372,-0.1 -1,-0.2 -0.507 62.4 150.7-120.6 61.0 8.7 2.1 27.9 22 25 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.875 72.4 50.7 -64.8 -41.4 11.3 4.9 28.1 23 26 A V H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 111.9 48.8 -65.7 -37.8 11.2 6.2 24.5 24 27 A Q H > S+ 0 0 48 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 111.1 50.0 -62.9 -40.4 7.4 6.4 24.7 25 28 A A H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.898 109.6 51.8 -60.0 -43.9 7.7 8.3 28.0 26 29 A L H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.874 106.4 53.9 -63.8 -34.4 10.2 10.7 26.3 27 30 A M H X S+ 0 0 15 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 108.0 49.7 -62.9 -44.4 7.8 11.3 23.4 28 31 A K H X S+ 0 0 140 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.929 111.1 49.8 -58.8 -44.3 5.0 12.3 25.9 29 32 A I H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.946 110.1 50.3 -60.5 -48.0 7.5 14.6 27.6 30 33 A A H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.851 107.1 54.3 -57.1 -39.8 8.5 16.2 24.2 31 34 A D H < S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.3 42.1 -62.4 -30.2 4.7 16.7 23.4 32 35 A E H < S+ 0 0 128 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.897 126.6 28.0 -78.8 -41.7 4.5 18.6 26.7 33 36 A L H < S- 0 0 58 -4,-2.7 3,-0.3 1,-0.3 2,-0.2 0.614 100.6-135.0-106.6 -19.6 7.7 20.6 26.6 34 37 A G < - 0 0 32 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.609 55.4 -11.9 105.5-153.7 8.4 21.1 22.8 35 38 A E S S+ 0 0 57 -2,-0.2 15,-2.6 1,-0.1 16,-0.7 0.648 124.7 21.3 -67.6 -19.3 11.3 20.9 20.4 36 39 A I E +A 49 0A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.984 60.0 168.4-150.8 136.7 14.0 20.7 23.2 37 40 A F E -A 48 0A 0 11,-1.6 11,-2.6 -2,-0.3 2,-0.3 -0.995 30.3-120.2-143.0 154.0 14.2 19.7 26.8 38 41 A K E -A 47 0A 57 -35,-3.1 2,-0.4 -2,-0.3 9,-0.2 -0.668 20.8-163.8 -86.5 145.1 17.0 19.1 29.3 39 42 A F E -A 46 0A 6 7,-2.9 7,-2.2 -2,-0.3 2,-0.4 -0.969 8.8-168.3-134.1 118.9 17.3 15.7 31.0 40 43 A E E +A 45 0A 54 -2,-0.4 -27,-2.4 5,-0.2 -26,-0.4 -0.824 11.3 171.4-112.7 139.3 19.5 15.4 34.1 41 44 A A E > -A 44 0A 1 3,-3.2 3,-1.9 -2,-0.4 2,-0.2 -0.886 54.0 -72.1-131.8 168.0 20.7 12.4 36.0 42 45 A P T 3 S+ 0 0 60 0, 0.0 -31,-0.1 0, 0.0 3,-0.1 -0.474 123.4 1.5 -61.4 124.3 23.3 12.2 38.8 43 46 A G T 3 S+ 0 0 90 -2,-0.2 2,-0.3 1,-0.1 -3,-0.0 0.377 126.2 67.4 87.6 -7.0 26.5 12.8 37.1 44 47 A R E < -A 41 0A 96 -3,-1.9 -3,-3.2 2,-0.0 2,-0.3 -0.984 49.9-170.1-149.5 157.9 25.1 13.4 33.6 45 48 A V E +A 40 0A 46 -2,-0.3 266,-0.5 -5,-0.2 2,-0.3 -0.993 8.4 171.2-144.9 142.4 23.1 15.6 31.4 46 49 A T E -A 39 0A 15 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.5 -0.959 24.3-134.1-142.8 162.8 21.6 15.4 27.8 47 50 A R E -Ab 38 312A 17 264,-0.9 266,-2.9 -2,-0.3 2,-0.5 -0.991 16.5-143.1-119.3 127.2 19.2 17.5 25.7 48 51 A Y E -Ab 37 313A 23 -11,-2.6 -11,-1.6 -2,-0.5 2,-0.4 -0.770 15.2-158.3 -93.0 125.4 16.4 15.7 23.8 49 52 A L E +Ab 36 314A 0 264,-3.4 266,-2.4 -2,-0.5 -13,-0.2 -0.879 22.1 164.1-108.7 133.4 15.7 17.3 20.4 50 53 A S + 0 0 9 -15,-2.6 2,-0.3 -2,-0.4 271,-0.3 0.471 47.0 83.6-122.8 -11.1 12.3 16.8 18.6 51 54 A S S > S- 0 0 11 -16,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.754 70.2-131.5-104.4 147.8 12.0 19.4 15.8 52 55 A Q H > S+ 0 0 26 -2,-0.3 4,-2.6 267,-0.2 5,-0.3 0.901 107.5 61.9 -55.6 -37.3 13.4 19.4 12.2 53 56 A R H > S+ 0 0 78 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.925 113.9 31.7 -63.3 -36.1 14.7 22.9 12.8 54 57 A L H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 117.2 55.1 -83.0 -36.2 17.0 21.8 15.7 55 58 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.842 99.6 61.1 -70.4 -30.6 17.8 18.4 14.4 56 59 A K H < S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.2 3,-0.2 0.923 108.2 45.2 -64.1 -34.6 19.0 19.8 11.1 57 60 A E H >< S+ 0 0 41 -4,-0.7 3,-1.8 -5,-0.3 -2,-0.2 0.917 109.5 54.6 -68.7 -43.5 21.7 21.6 13.1 58 61 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.6 58.6 -56.5 -27.4 22.4 18.5 15.1 59 62 A C T 3< S+ 0 0 6 -4,-1.4 2,-0.9 -3,-0.2 -1,-0.3 0.442 75.3 111.0 -89.4 3.2 23.0 16.7 11.8 60 63 A D X> - 0 0 64 -3,-1.8 4,-2.0 1,-0.2 3,-1.8 -0.674 58.3-157.9 -79.3 106.4 25.8 19.1 10.8 61 64 A E T 34 S+ 0 0 83 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.604 87.3 63.6 -67.2 -15.5 28.8 16.9 11.0 62 65 A S T 34 S+ 0 0 88 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.745 114.9 32.4 -73.5 -23.4 31.2 19.9 11.4 63 66 A R T <4 S+ 0 0 48 -3,-1.8 232,-2.8 1,-0.3 233,-0.6 0.757 125.1 28.5-103.0 -28.9 29.4 20.7 14.7 64 67 A F E < -C 294 0A 3 -4,-2.0 2,-0.3 230,-0.2 -1,-0.3 -0.987 57.5-168.7-140.8 145.2 28.4 17.3 16.2 65 68 A D E -C 293 0A 16 228,-1.9 228,-2.4 -2,-0.3 -5,-0.0 -0.835 43.3 -73.7-127.1 161.7 29.6 13.8 16.0 66 69 A K E -C 292 0A 30 -2,-0.3 22,-0.4 226,-0.2 2,-0.3 -0.302 46.0-159.2 -58.0 132.6 28.1 10.4 17.1 67 70 A N E -C 291 0A 7 224,-2.5 2,-0.8 245,-0.2 224,-0.5 -0.838 19.4-122.4-106.5 152.0 28.0 9.8 20.8 68 71 A L - 0 0 1 -2,-0.3 224,-0.1 222,-0.1 17,-0.1 -0.852 32.8-149.0 -92.8 113.1 27.7 6.4 22.5 69 72 A S > - 0 0 30 -2,-0.8 4,-3.0 222,-0.1 5,-0.2 -0.119 32.7 -89.6 -64.5 179.3 24.6 6.6 24.7 70 73 A Q H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.929 129.7 47.9 -55.0 -52.2 24.2 4.7 27.9 71 74 A A H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.942 111.4 50.3 -57.1 -51.7 22.7 1.8 26.2 72 75 A L H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.857 105.3 56.4 -60.6 -36.9 25.4 1.8 23.5 73 76 A K H X S+ 0 0 84 -4,-3.0 4,-0.7 2,-0.2 -1,-0.2 0.905 110.7 45.6 -61.8 -34.6 28.2 1.9 26.1 74 77 A F H >< S+ 0 0 136 -4,-1.7 3,-1.0 -3,-0.4 4,-0.3 0.924 110.7 52.4 -73.3 -38.7 26.7 -1.3 27.6 75 78 A V H >X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.3 3,-2.2 0.878 98.7 66.0 -61.9 -37.6 26.3 -2.9 24.2 76 79 A R H 3X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.3 -1,-0.3 0.812 81.3 77.9 -55.9 -28.7 30.0 -2.1 23.6 77 80 A D H << S+ 0 0 129 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.779 117.5 14.1 -47.4 -28.8 30.8 -4.7 26.4 78 81 A F H <4 S+ 0 0 95 -3,-2.2 -2,-0.2 -4,-0.3 -1,-0.2 0.588 130.5 49.0-124.3 -18.0 30.2 -7.3 23.7 79 82 A A H >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.2 6,-0.3 0.511 82.9 178.9-100.4 -5.6 30.1 -5.5 20.3 80 83 A G T 3< - 0 0 6 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.032 63.2 -17.7 53.0-136.5 33.4 -3.7 21.2 81 84 A D T 3 S+ 0 0 20 5,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.115 95.6 136.6 -99.6 38.5 34.8 -1.3 18.4 82 85 A G S <> S- 0 0 0 -3,-2.0 4,-0.8 133,-0.1 3,-0.4 -0.219 76.9 -87.3 -64.2 173.5 32.6 -2.9 15.7 83 86 A L T 4 S+ 0 0 15 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.794 124.9 50.3 -62.0 -35.2 30.9 -0.3 13.5 84 87 A F T 4 S+ 0 0 82 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.881 119.9 32.5 -76.1 -32.1 27.8 0.4 15.6 85 88 A T T 4 S+ 0 0 0 -3,-0.4 2,-0.2 -6,-0.3 -1,-0.2 0.178 95.1 103.9-115.1 12.2 29.6 0.9 19.0 86 89 A S S < S- 0 0 0 -4,-0.8 2,-0.3 -3,-0.2 -5,-0.1 -0.628 71.3-118.4 -89.6 153.6 32.9 2.6 17.8 87 90 A W > - 0 0 49 -2,-0.2 3,-1.6 1,-0.1 6,-0.3 -0.674 27.0-118.0 -80.6 149.7 33.6 6.3 18.1 88 91 A T T 3 S+ 0 0 24 -22,-0.4 6,-0.4 -2,-0.3 -1,-0.1 0.844 113.6 55.3 -58.8 -34.5 34.2 8.0 14.8 89 92 A H T 3 S+ 0 0 131 4,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.511 81.7 103.6 -79.8 -7.3 37.9 8.8 15.9 90 93 A E S X> S- 0 0 44 -3,-1.6 3,-1.9 1,-0.1 4,-0.8 -0.640 78.2-129.7 -75.7 131.3 38.8 5.2 16.7 91 94 A K H 3> S+ 0 0 123 -2,-0.4 4,-1.8 1,-0.3 5,-0.2 0.851 105.0 60.1 -47.9 -44.4 41.0 3.8 13.8 92 95 A N H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.638 95.0 64.8 -63.2 -19.0 38.8 0.7 13.5 93 96 A W H <> S+ 0 0 8 -3,-1.9 4,-2.9 -6,-0.3 -1,-0.2 0.993 109.5 32.9 -65.6 -61.3 35.7 2.8 12.7 94 97 A K H X S+ 0 0 69 -4,-0.8 4,-2.7 -6,-0.4 5,-0.2 0.870 118.5 56.1 -70.0 -35.0 36.8 4.2 9.3 95 98 A K H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.965 113.1 39.5 -56.4 -54.3 38.9 1.1 8.5 96 99 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.882 112.7 56.2 -63.9 -38.5 35.9 -1.2 8.9 97 100 A H H X S+ 0 0 35 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.944 110.8 44.8 -58.0 -47.9 33.6 1.3 7.2 98 101 A N H < S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.874 115.6 47.1 -61.7 -41.1 35.8 1.3 4.2 99 102 A I H < S+ 0 0 6 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.894 121.4 34.8 -66.5 -38.9 36.2 -2.5 4.1 100 103 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.670 92.9 83.3 -99.1 -19.5 32.5 -3.2 4.5 101 104 A L G >< S+ 0 0 78 -4,-2.1 3,-2.3 -5,-0.3 -1,-0.2 0.893 88.6 56.7 -55.7 -37.0 30.8 -0.5 2.6 102 105 A P G > S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.758 99.8 62.2 -69.2 -17.4 31.2 -2.4 -0.7 103 106 A S G < S+ 0 0 1 -3,-1.3 -2,-0.2 1,-0.2 89,-0.1 0.528 105.9 45.7 -72.5 -12.1 29.4 -5.2 0.9 104 107 A F G < S+ 0 0 6 -3,-2.3 259,-0.3 -4,-0.2 260,-0.3 0.155 94.0 76.4-126.5 21.5 26.2 -3.1 1.4 105 108 A S S < S- 0 0 54 -3,-0.6 -2,-0.1 -4,-0.1 -4,-0.0 0.949 97.2 -73.2 -94.9 -72.4 25.6 -1.3 -1.8 106 109 A Q S > S+ 0 0 100 -4,-0.4 4,-2.8 3,-0.0 5,-0.2 0.179 119.3 56.7-176.1 -63.8 24.0 -3.0 -4.9 107 110 A Q H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -4,-0.1 0.940 118.4 49.0 -50.5 -41.6 26.3 -5.3 -6.9 108 111 A A H >> S+ 0 0 19 -6,-0.3 4,-1.7 2,-0.2 3,-0.5 0.909 105.8 52.7 -56.8 -53.7 26.2 -6.7 -3.4 109 112 A M H 3> S+ 0 0 1 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.910 106.8 53.7 -61.5 -40.6 22.4 -6.6 -3.0 110 113 A K H 3< S+ 0 0 91 -4,-2.8 4,-0.5 1,-0.2 -1,-0.3 0.851 109.1 49.7 -56.4 -36.2 22.0 -8.6 -6.3 111 114 A G H << S+ 0 0 60 -4,-1.2 4,-0.3 -3,-0.5 3,-0.2 0.792 112.0 46.8 -73.3 -30.9 24.3 -11.3 -4.8 112 115 A Y H X S+ 0 0 11 -4,-1.7 4,-2.3 -3,-0.2 3,-0.5 0.663 90.6 87.2 -77.4 -22.2 22.4 -11.5 -1.5 113 116 A H H X S+ 0 0 16 -4,-1.3 4,-2.5 1,-0.2 5,-0.2 0.873 84.0 52.1 -53.5 -43.1 19.0 -11.7 -3.3 114 117 A A H > S+ 0 0 73 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.902 111.2 45.7 -64.7 -39.7 18.9 -15.4 -3.8 115 118 A M H > S+ 0 0 63 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.869 110.2 55.3 -73.3 -33.3 19.7 -16.3 -0.1 116 119 A M H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 108.0 49.0 -56.2 -45.5 17.0 -13.7 0.9 117 120 A V H X S+ 0 0 16 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.895 103.9 61.8 -62.2 -37.9 14.6 -15.5 -1.2 118 121 A D H X S+ 0 0 56 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.951 112.3 36.0 -52.0 -52.3 15.7 -18.8 0.5 119 122 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.898 114.7 54.7 -74.4 -36.6 14.5 -17.6 3.9 120 123 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.919 106.2 53.3 -62.5 -40.3 11.4 -15.7 2.6 121 124 A V H X S+ 0 0 29 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.922 105.7 54.0 -60.8 -39.9 10.2 -18.9 0.9 122 125 A Q H X S+ 0 0 26 -4,-1.5 4,-2.5 -5,-0.3 -2,-0.2 0.921 108.7 50.2 -60.2 -44.1 10.6 -20.7 4.3 123 126 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.954 111.7 45.5 -55.0 -51.2 8.4 -18.0 5.8 124 127 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.904 112.4 52.2 -63.8 -40.4 5.7 -18.3 3.1 125 128 A Q H X S+ 0 0 70 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.936 106.1 54.7 -61.2 -43.6 5.8 -22.1 3.4 126 129 A K H < S+ 0 0 64 -4,-2.5 3,-0.3 1,-0.2 4,-0.2 0.935 113.1 41.3 -52.6 -49.4 5.3 -21.9 7.1 127 130 A W H >< S+ 0 0 6 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.869 110.4 56.0 -71.2 -36.4 2.2 -19.9 6.7 128 131 A E H 3< S+ 0 0 47 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.778 106.4 54.6 -61.3 -26.1 0.8 -21.9 3.7 129 132 A R T 3< S+ 0 0 182 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.476 81.5 112.2 -92.2 1.4 1.1 -25.0 6.0 130 133 A L < - 0 0 54 -3,-1.3 2,-0.2 -4,-0.2 3,-0.1 -0.355 67.4-122.1 -72.6 150.7 -1.0 -23.5 8.9 131 134 A N > - 0 0 112 1,-0.2 3,-1.9 4,-0.1 -1,-0.1 -0.519 44.8 -65.0 -85.6 169.8 -4.3 -25.2 9.5 132 135 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.084 120.1 8.7 -45.2 131.1 -7.8 -23.5 9.4 133 136 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.456 93.2 128.3 73.9 -1.0 -8.2 -20.9 12.2 134 137 A E < - 0 0 86 -3,-1.9 273,-0.3 273,-0.1 2,-0.2 -0.457 47.0-142.3 -76.3 162.7 -4.6 -21.0 13.4 135 138 A H - 0 0 87 271,-0.1 2,-0.4 -2,-0.1 271,-0.2 -0.739 6.2-116.7-124.3 173.5 -2.9 -17.6 13.7 136 139 A I E -E 405 0B 2 269,-2.8 269,-1.7 -2,-0.2 2,-0.8 -0.930 12.2-143.0-109.3 130.7 0.5 -16.0 13.1 137 140 A E E > -E 404 0B 92 -2,-0.4 4,-2.2 267,-0.2 267,-0.2 -0.878 27.0-162.4 -88.0 103.3 2.6 -14.5 15.9 138 141 A V H > S+ 0 0 0 265,-2.2 4,-2.9 -2,-0.8 5,-0.2 0.943 77.2 40.8 -65.5 -59.1 4.0 -11.6 13.8 139 142 A P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.896 116.3 55.6 -57.5 -36.1 7.1 -10.2 15.5 140 143 A E H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.941 112.4 39.1 -62.4 -51.1 8.1 -13.8 16.4 141 144 A D H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.827 113.3 56.2 -68.2 -35.4 8.0 -14.9 12.8 142 145 A M H X S+ 0 0 1 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.879 108.5 48.1 -60.6 -38.8 9.5 -11.7 11.5 143 146 A T H X S+ 0 0 29 -4,-2.2 4,-2.5 -5,-0.2 5,-0.4 0.902 107.5 54.5 -69.6 -36.4 12.5 -12.2 13.8 144 147 A R H X S+ 0 0 23 -4,-1.9 4,-1.9 -5,-0.2 17,-0.3 0.951 113.8 43.9 -58.6 -47.3 12.9 -15.8 12.7 145 148 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 115.8 44.9 -60.1 -48.6 13.1 -14.4 9.1 146 149 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.910 114.4 47.5 -74.3 -39.1 15.4 -11.4 9.8 147 150 A L H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.951 114.4 47.2 -63.0 -46.1 17.9 -13.4 11.9 148 151 A D H X S+ 0 0 3 -4,-1.9 4,-2.7 -5,-0.4 5,-0.3 0.882 110.9 52.3 -65.7 -33.8 18.0 -16.2 9.4 149 152 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.922 111.5 43.4 -69.4 -45.5 18.5 -13.8 6.5 150 153 A I H X>S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.6 0.936 115.2 52.7 -66.8 -36.9 21.5 -11.9 8.1 151 154 A G H X5S+ 0 0 0 -4,-2.6 6,-2.2 -5,-0.3 4,-1.5 0.931 119.0 33.3 -63.0 -44.8 23.0 -15.2 9.2 152 155 A L H X5S+ 0 0 0 -4,-2.7 4,-1.4 4,-0.3 -2,-0.2 0.924 123.2 42.3 -78.7 -45.5 22.7 -16.8 5.7 153 156 A C H <5S+ 0 0 1 -4,-2.9 39,-0.5 -5,-0.3 -3,-0.2 0.903 126.0 34.0 -73.9 -34.5 23.4 -13.8 3.5 154 157 A G H <5S+ 0 0 1 -4,-2.1 39,-2.4 -5,-0.5 40,-0.3 0.837 137.4 10.5 -88.5 -33.1 26.1 -12.4 5.6 155 158 A F H < + 0 0 59 1,-0.1 3,-1.7 -12,-0.1 -2,-0.1 0.852 31.3 165.1 50.4 46.2 17.2 -22.6 11.1 161 164 A S G > + 0 0 5 -17,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.792 67.4 61.8 -64.3 -29.4 14.8 -20.4 13.1 162 165 A F G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -18,-0.2 -2,-0.1 0.545 96.4 59.9 -77.2 -3.5 11.8 -21.9 11.3 163 166 A Y G < S+ 0 0 180 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.251 101.5 76.8-100.2 7.7 12.6 -25.3 12.7 164 167 A R < - 0 0 96 -3,-1.4 4,-0.1 1,-0.1 -20,-0.0 -0.913 57.2-162.1-129.1 146.7 12.3 -24.0 16.2 165 168 A D S S+ 0 0 141 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.722 87.6 49.2 -85.4 -38.5 9.5 -23.0 18.7 166 169 A Q S S- 0 0 151 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.868 102.8 -93.8-108.7 142.0 11.8 -20.9 20.9 167 170 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.055 58.4 -77.0 -49.6 158.1 14.1 -18.2 19.5 168 171 A H 0 0 40 1,-0.1 -8,-0.0 -4,-0.1 -7,-0.0 -0.430 360.0 360.0 -61.3 127.0 17.7 -19.3 18.8 169 172 A P 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.842 360.0 360.0 -32.8 360.0 19.9 -19.5 21.9 170 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 171 211 A V > 0 0 131 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -56.9 27.0 -18.7 23.8 172 212 A M H > + 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.871 360.0 50.9 -65.5 -38.1 28.1 -15.7 21.7 173 213 A N H > S+ 0 0 104 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.866 110.1 46.4 -65.7 -46.0 31.8 -16.8 21.6 174 214 A D H > S+ 0 0 120 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.855 114.1 50.8 -66.7 -37.1 31.2 -20.3 20.4 175 215 A L H X S+ 0 0 33 -4,-2.1 4,-3.5 2,-0.2 -2,-0.2 0.963 114.4 42.1 -64.0 -50.3 28.8 -19.1 17.8 176 216 A V H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.910 115.4 51.1 -59.4 -44.0 31.3 -16.5 16.5 177 217 A D H X S+ 0 0 71 -4,-2.8 4,-3.4 2,-0.2 -1,-0.2 0.888 113.1 47.2 -56.7 -42.4 34.0 -19.2 16.8 178 218 A K H X S+ 0 0 90 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.958 108.2 51.5 -71.4 -52.0 31.7 -21.5 14.8 179 219 A I H X S+ 0 0 2 -4,-3.5 4,-1.4 1,-0.2 -1,-0.2 0.907 116.2 43.7 -52.5 -43.6 30.8 -19.0 12.1 180 220 A I H X S+ 0 0 23 -4,-2.3 4,-2.4 -5,-0.2 3,-0.5 0.983 115.5 46.0 -64.7 -58.1 34.6 -18.4 11.7 181 221 A A H X S+ 0 0 39 -4,-3.4 4,-2.5 1,-0.3 -2,-0.2 0.896 110.6 53.8 -49.5 -52.6 35.6 -22.1 11.8 182 222 A D H < S+ 0 0 67 -4,-3.4 -1,-0.3 1,-0.2 4,-0.2 0.855 111.0 47.6 -47.6 -44.8 32.8 -23.2 9.4 183 223 A R H >< S+ 0 0 28 -4,-1.4 3,-1.2 -3,-0.5 -2,-0.2 0.900 109.1 51.2 -68.2 -44.9 34.1 -20.6 7.0 184 224 A K H 3< S+ 0 0 152 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.8 47.2 -55.5 -40.4 37.8 -21.6 7.2 185 225 A A T 3< 0 0 87 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.481 360.0 360.0 -78.4 -5.8 36.7 -25.2 6.6 186 226 A S < 0 0 94 -3,-1.2 -3,-0.1 -4,-0.2 3,-0.1 -0.405 360.0 360.0 -73.9 360.0 34.5 -24.4 3.6 187 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 188 229 A Q 0 0 214 0, 0.0 2,-0.0 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 103.6 33.6 -20.5 -1.3 189 230 A S - 0 0 30 -6,-0.1 -34,-0.0 -3,-0.1 -3,-0.0 -0.177 360.0-154.5 -91.2 177.8 31.5 -17.4 -0.6 190 231 A D + 0 0 129 -79,-0.1 2,-0.1 -2,-0.0 -79,-0.1 -0.378 57.9 122.7-142.4 51.7 31.8 -13.6 -1.5 191 232 A D S > S- 0 0 11 -37,-0.1 4,-2.0 -79,-0.0 5,-0.2 -0.224 81.1 -72.8-111.4-168.3 29.7 -12.3 1.4 192 233 A L H > S+ 0 0 2 -39,-0.5 4,-2.3 1,-0.2 -37,-0.2 0.911 130.6 50.6 -53.5 -45.5 29.9 -10.0 4.3 193 234 A L H > S+ 0 0 0 -39,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.867 104.2 60.1 -67.8 -32.7 32.2 -12.4 6.2 194 235 A T H > S+ 0 0 27 -40,-0.3 4,-2.8 2,-0.2 5,-0.5 0.976 107.7 44.1 -52.2 -52.7 34.5 -12.6 3.1 195 236 A H H X S+ 0 0 44 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.898 111.2 54.4 -64.3 -38.8 35.1 -8.9 3.3 196 237 A M H < S+ 0 0 0 -4,-2.3 12,-0.4 -5,-0.2 -1,-0.2 0.934 117.5 36.9 -57.4 -41.8 35.6 -9.1 7.0 197 238 A L H < S+ 0 0 46 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.742 135.8 13.7 -84.0 -30.4 38.3 -11.8 6.6 198 239 A H H < S+ 0 0 140 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.562 91.0 108.5-125.7 -10.6 40.1 -10.7 3.4 199 240 A G < - 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0 0 5 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.081 63.3 -20.2 60.6-142.9 12.1 26.0 -22.9 495 84 B D T 3 S+ 0 0 21 5,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.114 96.3 135.8 -95.1 36.8 13.5 23.5 -20.4 496 85 B G S <> S- 0 0 0 -3,-2.2 4,-0.7 135,-0.2 3,-0.3 -0.145 76.1 -86.5 -64.5 176.5 11.3 24.7 -17.6 497 86 B L T 4 S+ 0 0 15 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.813 124.4 49.7 -60.7 -39.8 9.7 21.9 -15.5 498 87 B F T 4 S+ 0 0 93 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.840 119.9 32.7 -70.5 -35.1 6.6 21.4 -17.6 499 88 B T T 4 S+ 0 0 0 -3,-0.3 2,-0.3 -6,-0.3 -1,-0.2 0.180 95.6 103.0-114.8 17.4 8.3 21.1 -21.0 500 89 B S S < S- 0 0 0 -4,-0.7 2,-0.2 -3,-0.3 -5,-0.1 -0.711 71.6-118.2 -93.6 152.2 11.6 19.4 -20.0 501 90 B W > - 0 0 57 -2,-0.3 3,-1.7 1,-0.1 6,-0.3 -0.600 26.5-117.6 -79.2 151.3 12.4 15.8 -20.5 502 91 B T T 3 S+ 0 0 23 -22,-0.4 6,-0.3 1,-0.3 -1,-0.1 0.792 113.5 56.0 -61.1 -26.2 13.1 13.8 -17.3 503 92 B H T 3 S+ 0 0 129 4,-0.1 -1,-0.3 5,-0.1 2,-0.3 0.511 81.3 104.7 -90.5 -3.4 16.6 13.1 -18.4 504 93 B E S X> S- 0 0 41 -3,-1.7 3,-1.4 1,-0.1 4,-1.0 -0.596 75.8-130.6 -78.4 136.4 17.6 16.7 -18.9 505 94 B K H 3> S+ 0 0 118 1,-0.3 4,-2.1 -2,-0.3 5,-0.2 0.866 106.2 58.4 -54.2 -38.8 19.8 18.0 -16.2 506 95 B N H 3> S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.701 97.4 61.5 -68.5 -20.9 17.6 21.0 -15.7 507 96 B W H <> S+ 0 0 7 -3,-1.4 4,-2.7 -6,-0.3 5,-0.2 0.989 110.6 36.3 -63.8 -61.5 14.5 18.9 -15.0 508 97 B K H X S+ 0 0 59 -4,-1.0 4,-2.6 -6,-0.3 5,-0.2 0.864 117.7 53.3 -68.0 -36.4 15.8 17.2 -11.8 509 98 B K H X S+ 0 0 11 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.962 114.0 40.6 -60.7 -49.8 17.8 20.3 -10.7 510 99 B A H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.879 112.8 56.0 -68.6 -35.2 14.7 22.5 -10.9 511 100 B H H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.948 112.9 42.2 -56.5 -51.9 12.5 19.8 -9.4 512 101 B N H < S+ 0 0 15 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.9 45.7 -66.9 -36.4 14.8 19.6 -6.3 513 102 B I H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.840 119.5 39.7 -75.0 -30.6 15.2 23.4 -6.0 514 103 B L H >< S+ 0 0 0 -4,-2.8 3,-1.6 -5,-0.2 4,-0.3 0.709 91.7 80.6 -99.3 -22.0 11.5 24.2 -6.4 515 104 B L G >< S+ 0 0 23 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.871 88.5 60.1 -51.5 -39.0 9.8 21.4 -4.5 516 105 B P G > S+ 0 0 60 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.739 92.6 66.9 -60.2 -27.3 10.6 23.5 -1.2 517 106 B S G < S+ 0 0 0 -3,-1.6 -2,-0.2 1,-0.2 91,-0.1 0.561 103.0 47.4 -65.6 -12.1 8.4 26.3 -2.6 518 107 B F G < S+ 0 0 29 -3,-1.9 -1,-0.2 -4,-0.3 -3,-0.1 0.088 87.0 124.6-117.8 24.8 5.5 23.9 -2.2 519 108 B S S <> S- 0 0 41 -3,-1.3 4,-2.9 1,-0.1 5,-0.2 -0.237 79.1-101.3 -73.0 166.6 6.2 22.7 1.4 520 109 B Q H > S+ 0 0 34 -195,-0.4 4,-2.2 1,-0.2 5,-0.2 0.949 126.2 47.8 -54.8 -45.2 3.7 23.0 4.2 521 110 B Q H > S+ 0 0 91 -197,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.835 111.2 50.7 -69.7 -34.5 5.6 26.1 5.5 522 111 B A H > S+ 0 0 16 -6,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 108.7 51.4 -62.0 -45.5 5.6 27.6 2.0 523 112 B M H X S+ 0 0 6 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.899 109.2 50.2 -62.0 -41.6 1.9 27.0 1.5 524 113 B K H >< S+ 0 0 68 -4,-2.2 3,-0.5 -5,-0.2 4,-0.5 0.892 108.6 54.1 -60.5 -39.0 1.2 28.8 4.9 525 114 B G H 3< S+ 0 0 58 -4,-1.6 4,-0.4 1,-0.2 3,-0.2 0.772 106.9 50.4 -71.6 -25.6 3.3 31.6 3.7 526 115 B Y H >X S+ 0 0 8 -4,-1.7 4,-2.5 -3,-0.2 3,-0.5 0.705 87.6 87.1 -73.7 -25.6 1.3 32.0 0.5 527 116 B H H S+ 0 0 75 -4,-0.5 4,-1.9 -3,-0.2 -1,-0.2 0.909 111.7 46.5 -65.3 -38.1 -2.1 35.9 3.0 529 118 B M H <> S+ 0 0 58 -3,-0.5 4,-1.7 -4,-0.4 -1,-0.2 0.888 109.7 54.4 -73.6 -32.2 -1.4 36.8 -0.6 530 119 B M H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.918 108.3 50.0 -60.4 -40.4 -4.0 34.4 -1.9 531 120 B V H X S+ 0 0 18 -4,-2.4 4,-3.0 -5,-0.2 5,-0.3 0.899 102.8 61.3 -65.8 -36.0 -6.5 36.1 0.4 532 121 B D H X S+ 0 0 58 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.954 112.3 38.2 -53.0 -48.4 -5.4 39.6 -1.0 533 122 B I H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.901 114.0 53.1 -75.3 -41.2 -6.6 38.4 -4.5 534 123 B A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.893 106.9 53.8 -59.3 -42.4 -9.7 36.5 -3.3 535 124 B V H X S+ 0 0 22 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.910 105.5 55.5 -55.2 -43.2 -10.8 39.7 -1.4 536 125 B Q H X S+ 0 0 31 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.883 109.1 45.2 -57.0 -43.4 -10.5 41.5 -4.7 537 126 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.946 113.1 49.8 -66.3 -47.5 -12.8 39.1 -6.4 538 127 B V H X S+ 0 0 1 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.949 112.4 48.5 -56.9 -44.9 -15.4 39.1 -3.6 539 128 B Q H X S+ 0 0 71 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.908 107.3 55.3 -62.1 -41.4 -15.3 43.0 -3.6 540 129 B K H < S+ 0 0 63 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.947 113.1 41.6 -54.0 -50.2 -15.8 43.1 -7.4 541 130 B W H >< S+ 0 0 6 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.877 110.9 55.6 -71.6 -34.2 -18.9 40.9 -7.1 542 131 B E H 3< S+ 0 0 47 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 106.7 53.6 -62.6 -29.3 -20.2 42.8 -4.0 543 132 B R T 3< S+ 0 0 177 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.527 82.1 113.0 -88.7 -2.2 -20.0 46.0 -6.0 544 133 B L < - 0 0 54 -3,-1.1 3,-0.1 -4,-0.4 2,-0.1 -0.397 67.9-119.8 -67.3 146.2 -22.1 44.8 -9.0 545 134 B N > - 0 0 108 1,-0.2 3,-2.0 4,-0.1 -1,-0.1 -0.348 46.5 -66.2 -80.1 167.5 -25.4 46.5 -9.5 546 135 B A T 3 S+ 0 0 92 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.180 120.3 9.0 -55.6 138.4 -28.8 44.7 -9.4 547 136 B D T 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.468 92.6 131.4 72.4 -0.7 -29.2 42.2 -12.3 548 137 B E < - 0 0 82 -3,-2.0 275,-0.3 275,-0.1 2,-0.3 -0.480 45.1-145.1 -76.0 159.1 -25.7 42.5 -13.5 549 138 B H - 0 0 87 -2,-0.1 2,-0.4 273,-0.1 273,-0.2 -0.790 6.4-117.1-123.1 173.8 -24.0 39.2 -14.1 550 139 B I E -N 821 0H 2 271,-3.1 271,-1.5 -2,-0.3 2,-0.9 -0.866 11.2-141.7-111.7 134.6 -20.6 37.6 -13.8 551 140 B E E > -N 820 0H 97 -2,-0.4 4,-2.2 269,-0.2 5,-0.2 -0.869 28.0-161.4 -90.5 102.1 -18.5 36.2 -16.7 552 141 B V H > S+ 0 0 0 267,-2.0 4,-2.7 -2,-0.9 5,-0.2 0.963 78.4 41.1 -64.7 -59.0 -17.2 33.2 -14.8 553 142 B P H > S+ 0 0 8 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.903 115.3 56.0 -59.5 -30.2 -14.1 31.9 -16.6 554 143 B E H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.942 112.2 39.7 -64.7 -46.7 -13.1 35.6 -17.2 555 144 B D H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.841 112.8 56.0 -71.7 -33.6 -13.1 36.4 -13.5 556 145 B M H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.878 108.7 48.4 -65.9 -32.9 -11.6 33.0 -12.5 557 146 B T H X S+ 0 0 19 -4,-2.2 4,-2.4 -5,-0.2 5,-0.4 0.862 107.7 53.7 -73.4 -36.7 -8.7 33.8 -14.8 558 147 B R H X S+ 0 0 20 -4,-1.8 4,-2.1 -5,-0.2 17,-0.3 0.960 114.0 44.9 -57.6 -49.3 -8.3 37.3 -13.3 559 148 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 115.7 43.1 -56.5 -51.5 -8.1 35.6 -9.9 560 149 B T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.889 114.1 49.2 -75.3 -37.6 -5.7 32.7 -10.8 561 150 B L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.957 114.5 46.3 -62.9 -47.3 -3.3 34.8 -12.8 562 151 B D H X S+ 0 0 3 -4,-2.1 4,-2.6 -5,-0.4 5,-0.3 0.887 110.6 53.4 -60.9 -37.0 -3.1 37.4 -10.1 563 152 B T H X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.5 0.952 111.9 42.5 -65.8 -45.5 -2.6 34.8 -7.4 564 153 B I H X5S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 5,-0.4 0.925 115.3 52.1 -70.3 -37.8 0.3 33.1 -9.2 565 154 B G H X5S+ 0 0 0 -4,-2.7 6,-2.1 -5,-0.2 4,-1.5 0.924 119.4 33.6 -57.5 -49.4 1.8 36.6 -10.0 566 155 B L H X5S+ 0 0 0 -4,-2.6 4,-1.4 4,-0.3 -2,-0.2 0.944 122.5 42.4 -80.1 -50.4 1.6 37.8 -6.4 567 156 B C H <5S+ 0 0 1 -4,-2.7 41,-0.5 -5,-0.3 -3,-0.2 0.881 127.0 32.6 -62.3 -39.5 2.3 34.6 -4.4 568 157 B G H < + 0 0 58 1,-0.1 3,-1.6 -3,-0.1 -2,-0.1 0.909 31.9 165.7 52.5 47.2 -3.9 44.0 -11.4 575 164 B S G > + 0 0 5 -17,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.795 66.8 60.8 -66.8 -27.4 -6.3 41.9 -13.5 576 165 B F G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -18,-0.2 -2,-0.1 0.551 96.6 62.0 -79.7 -4.6 -9.4 43.2 -11.6 577 166 B Y G < S+ 0 0 176 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.3 0.176 97.9 78.1 -95.2 13.1 -8.5 46.8 -12.8 578 167 B R < - 0 0 93 -3,-1.3 4,-0.1 1,-0.1 -20,-0.0 -0.964 56.4-164.9-136.6 140.8 -8.9 45.7 -16.4 579 168 B D S S+ 0 0 153 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.792 83.7 55.5 -91.1 -36.1 -11.8 45.1 -18.6 580 169 B Q S S- 0 0 156 1,-0.2 2,-0.1 0, 0.0 -2,-0.1 -0.404 104.6 -87.4 -85.0 166.8 -9.8 43.3 -21.2 581 170 B P - 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.447 59.2 -87.2 -62.4 155.6 -7.7 40.2 -20.5 582 171 B H >> - 0 0 13 1,-0.1 4,-1.1 -4,-0.1 3,-0.7 -0.443 38.5-115.0 -61.4 136.6 -4.2 41.1 -19.4 583 172 B P G >4 S+ 0 0 81 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.845 115.7 65.0 -40.2 -39.9 -2.0 41.5 -22.4 584 173 B F G 34 S+ 0 0 17 1,-0.3 7,-0.0 2,-0.2 -11,-0.0 0.935 94.3 53.2 -50.5 -60.6 -0.1 38.5 -21.1 585 174 B I G <4 0 0 66 -3,-0.7 -1,-0.3 1,-0.1 -3,-0.0 0.789 360.0 360.0 -46.8 -31.8 -3.0 36.1 -21.5 586 175 B T << 0 0 141 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.1 0.878 360.0 360.0 -87.7 360.0 -3.0 37.4 -25.1 587 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 588 212 B M > 0 0 83 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -40.4 5.3 37.0 -22.6 589 213 B N H > + 0 0 74 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.882 360.0 59.3 -66.9 -36.7 9.0 37.4 -22.5 590 214 B D H > S+ 0 0 110 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.872 100.6 54.5 -62.2 -44.5 9.1 41.1 -21.7 591 215 B L H > S+ 0 0 9 1,-0.2 4,-3.2 2,-0.2 3,-0.3 0.905 102.3 59.7 -50.5 -42.7 7.1 40.8 -18.5 592 216 B V H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 -1,-0.2 0.879 102.5 50.7 -64.3 -39.9 9.7 38.2 -17.3 593 217 B D H X S+ 0 0 58 -4,-1.2 4,-3.6 -3,-0.2 -1,-0.3 0.895 113.3 47.8 -54.4 -42.1 12.5 40.8 -17.5 594 218 B K H X S+ 0 0 99 -4,-1.5 4,-3.5 -3,-0.3 5,-0.3 0.900 109.5 50.6 -72.5 -45.7 10.3 43.2 -15.5 595 219 B I H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.935 115.9 43.8 -56.2 -45.4 9.5 40.6 -12.8 596 220 B I H X S+ 0 0 21 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.943 114.5 48.6 -68.3 -49.1 13.2 39.9 -12.6 597 221 B A H X S+ 0 0 47 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.5 52.5 -54.7 -51.1 14.1 43.6 -12.6 598 222 B D H < S+ 0 0 95 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.939 111.9 46.9 -45.0 -53.7 11.5 44.4 -9.9 599 223 B R H >< S+ 0 0 31 -4,-1.9 3,-1.0 -5,-0.3 -2,-0.2 0.894 111.2 52.1 -66.3 -41.2 13.0 41.7 -7.6 600 224 B K H 3< S+ 0 0 169 -4,-2.4 2,-0.8 1,-0.2 -1,-0.2 0.970 116.2 38.1 -45.1 -65.6 16.5 42.9 -8.3 601 225 B A T 3< 0 0 92 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 -0.237 360.0 360.0 -87.8 42.4 15.8 46.5 -7.3 602 226 B S < 0 0 104 -3,-1.0 -3,-0.1 -2,-0.8 -4,-0.1 -0.688 360.0 360.0 -95.3 360.0 13.4 45.5 -4.4 603 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 604 229 B Q 0 0 147 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.3 12.8 40.7 1.7 605 230 B S - 0 0 44 -6,-0.1 -36,-0.0 2,-0.0 0, 0.0 -0.627 360.0-169.4-105.1 163.0 10.7 37.9 -0.1 606 231 B D + 0 0 133 -2,-0.2 2,-0.1 -81,-0.1 -81,-0.1 -0.271 49.7 117.7-142.8 54.2 10.5 34.2 0.5 607 232 B D S > S- 0 0 10 -39,-0.1 4,-1.8 -81,-0.0 -39,-0.2 -0.195 82.3 -75.7-117.2-167.7 8.6 33.1 -2.6 608 233 B L H > S+ 0 0 2 -41,-0.5 4,-2.5 1,-0.2 -39,-0.2 0.899 128.8 52.3 -61.9 -42.5 8.9 30.9 -5.6 609 234 B L H > S+ 0 0 0 -41,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.867 102.8 58.8 -63.1 -38.9 11.1 33.5 -7.3 610 235 B T H > S+ 0 0 25 -42,-0.2 4,-3.0 2,-0.2 5,-0.4 0.964 109.0 44.9 -50.5 -52.0 13.4 33.6 -4.3 611 236 B H H X S+ 0 0 38 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.874 110.5 53.5 -59.6 -45.0 14.0 29.8 -4.8 612 237 B M H < S+ 0 0 0 -4,-2.5 12,-0.4 1,-0.2 -1,-0.2 0.912 118.3 37.0 -53.4 -42.3 14.5 30.2 -8.5 613 238 B L H < S+ 0 0 53 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.841 135.7 15.4 -82.4 -33.1 17.1 32.9 -7.8 614 239 B H H < S+ 0 0 136 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.566 89.1 112.0-121.3 -17.6 18.8 31.5 -4.8 615 240 B G < - 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