==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-FEB-12 4DTW . COMPND 2 MOLECULE: CYTOCHROME P450 BM3 VARIANT 8C8; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR E.M.BRUSTAD,V.S.LELYVELD,C.D.SNOW,N.CROOK,F.M MARTINEZ,T.J.S . 906 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.3 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 . 44 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 41.1 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+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 2 2 2 1 1 0 4 0 1 0 0 1 0 0 0 0 2 0 2 RESIDUES PER ALPHA HELIX . 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 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 3 B K 0 0 82 0, 0.0 2,-0.6 0, 0.0 341,-0.0 0.000 360.0 360.0 360.0 161.9 15.7 31.9 26.3 2 4 B E - 0 0 186 341,-0.1 341,-0.1 1,-0.0 0, 0.0 -0.902 360.0-113.0 -85.3 125.9 16.0 30.1 29.7 3 5 B M - 0 0 33 -2,-0.6 35,-0.1 1,-0.1 -1,-0.0 -0.256 20.7-115.0 -73.1 139.9 15.2 26.5 28.7 4 6 B P - 0 0 45 0, 0.0 35,-2.6 0, 0.0 -1,-0.1 -0.251 32.7-168.2 -62.5 155.5 12.0 24.7 29.9 5 7 B Q - 0 0 65 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.977 18.4-120.0-148.9 138.4 12.6 21.7 32.1 6 8 B P - 0 0 14 0, 0.0 33,-0.0 0, 0.0 11,-0.0 -0.099 54.1 -61.1 -75.6 176.6 10.2 18.9 33.2 7 9 B K - 0 0 150 1,-0.1 2,-0.2 7,-0.1 10,-0.2 -0.112 56.7-138.1 -56.9 154.1 9.3 18.2 37.0 8 10 B T - 0 0 84 -3,-0.1 2,-0.2 8,-0.1 6,-0.2 -0.712 13.1-144.5-121.4 168.8 12.1 17.2 39.4 9 11 B F > - 0 0 79 4,-2.1 3,-2.2 1,-0.4 4,-0.2 -0.666 50.1 -98.8-131.1 64.2 12.7 14.7 42.2 10 12 B G G > S- 0 0 60 1,-0.3 3,-2.6 -2,-0.2 -1,-0.4 -0.164 101.6 -3.6 50.2-135.4 14.9 16.4 44.8 11 13 B E G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.687 129.7 67.0 -65.4 -14.4 18.6 15.4 44.4 12 14 B L G X S- 0 0 92 -3,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.592 84.7-167.6 -82.9 -7.7 17.7 13.0 41.6 13 15 B K T < - 0 0 74 -3,-2.6 -4,-2.1 1,-0.3 -1,-0.2 -0.348 64.5 -23.2 61.9-129.5 16.7 15.9 39.4 14 16 B N T > S+ 0 0 0 27,-2.1 3,-2.3 -6,-0.2 4,-0.4 0.496 110.1 105.1 -88.0 -5.1 14.7 14.7 36.3 15 17 B L G X + 0 0 60 -3,-1.8 3,-2.5 26,-0.5 4,-0.3 0.843 67.5 59.6 -53.2 -47.5 16.2 11.2 36.4 16 18 B P G > S+ 0 0 34 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.679 89.1 76.9 -59.2 -15.7 13.2 9.2 37.8 17 19 B L G < S+ 0 0 26 -3,-2.3 -2,-0.2 1,-0.2 9,-0.1 0.765 95.2 48.2 -55.2 -30.9 11.2 10.4 34.7 18 20 B L G < S+ 0 0 34 -3,-2.5 2,-1.9 -4,-0.4 -1,-0.2 0.448 84.1 98.9 -91.5 -2.4 13.1 7.7 32.7 19 21 B N < + 0 0 97 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.473 67.9 96.3 -79.2 65.4 12.3 5.1 35.4 20 22 B T S S- 0 0 46 -2,-1.9 6,-0.0 1,-0.1 -3,-0.0 -0.971 84.6-118.0-152.4 161.8 9.5 3.8 33.3 21 23 B D S S+ 0 0 120 -2,-0.3 412,-0.5 1,-0.3 -1,-0.1 0.719 113.7 44.6 -75.9 -23.2 8.9 0.9 30.8 22 24 B K > + 0 0 74 1,-0.1 4,-2.1 410,-0.1 -1,-0.3 -0.521 65.5 154.5-121.6 65.5 8.1 3.6 28.2 23 25 B P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 73.5 48.2 -68.1 -36.3 10.7 6.3 28.4 24 26 B V H > S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.940 112.4 49.8 -69.9 -41.4 10.6 7.7 24.8 25 27 B Q H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 110.0 52.1 -60.3 -39.9 6.9 7.9 24.9 26 28 B A H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 3,-0.2 0.953 110.1 49.3 -53.7 -50.6 7.3 9.8 28.3 27 29 B L H X S+ 0 0 8 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.872 106.9 54.9 -62.8 -39.3 9.7 12.2 26.6 28 30 B M H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.906 108.4 47.9 -59.5 -40.6 7.3 12.8 23.7 29 31 B K H X S+ 0 0 144 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.914 113.0 49.1 -66.9 -40.2 4.5 13.8 26.1 30 32 B I H X S+ 0 0 17 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.940 111.0 50.2 -62.3 -48.4 7.1 16.1 27.9 31 33 B A H X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.871 108.1 52.9 -55.2 -42.9 8.1 17.5 24.4 32 34 B D H < S+ 0 0 118 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.887 115.7 41.0 -59.0 -40.5 4.4 18.2 23.6 33 35 B E H < S+ 0 0 155 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.880 125.8 31.9 -72.5 -43.3 4.1 20.1 26.9 34 36 B L H < S- 0 0 47 -4,-3.3 3,-0.3 1,-0.2 2,-0.2 0.691 100.5-131.6 -98.1 -21.1 7.3 22.0 26.8 35 37 B G < - 0 0 33 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.603 53.9 -19.9 107.2-160.8 8.1 22.6 23.1 36 38 B E S S+ 0 0 56 -2,-0.2 15,-2.3 15,-0.1 16,-0.7 0.615 124.4 24.9 -69.8 -13.9 11.0 22.3 20.7 37 39 B I E +A 50 0A 3 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.992 60.2 169.8-147.0 138.2 13.7 22.1 23.4 38 40 B F E -A 49 0A 0 11,-1.4 11,-2.4 -2,-0.3 2,-0.3 -0.974 29.7-123.1-143.4 149.0 13.9 21.1 27.1 39 41 B K E -A 48 0A 65 -35,-2.6 2,-0.4 -2,-0.3 9,-0.3 -0.722 21.5-163.9 -78.3 147.4 16.7 20.6 29.5 40 42 B F E -A 47 0A 0 7,-3.3 7,-2.6 -2,-0.3 2,-0.3 -0.984 7.2-169.4-138.4 116.9 17.0 17.2 31.3 41 43 B E E +A 46 0A 43 -2,-0.4 -27,-2.1 5,-0.2 -26,-0.5 -0.820 11.3 169.4-112.2 145.0 19.2 16.8 34.4 42 44 B A E > -A 45 0A 4 3,-2.8 3,-1.7 -2,-0.3 -29,-0.1 -0.905 56.2 -66.2-139.3 163.6 20.4 13.8 36.3 43 45 B P T 3 S- 0 0 67 0, 0.0 -31,-0.1 0, 0.0 3,-0.1 -0.433 123.9 -1.9 -56.7 124.3 23.0 13.5 39.0 44 46 B G T 3 S+ 0 0 91 -2,-0.1 2,-0.3 1,-0.1 -3,-0.0 0.207 126.0 74.2 83.3 -10.8 26.3 14.3 37.3 45 47 B R E < -A 42 0A 87 -3,-1.7 -3,-2.8 2,-0.0 2,-0.3 -0.928 49.0-175.1-140.5 159.9 24.8 14.8 33.9 46 48 B V E +A 41 0A 42 -2,-0.3 304,-0.5 -5,-0.2 2,-0.3 -0.997 7.9 168.3-148.5 141.8 22.7 17.0 31.7 47 49 B T E -A 40 0A 0 -7,-2.6 -7,-3.3 -2,-0.3 2,-0.4 -0.952 24.7-131.9-145.4 169.4 21.3 16.9 28.2 48 50 B R E -Ab 39 351A 22 302,-0.9 304,-2.8 -2,-0.3 2,-0.5 -0.994 16.2-140.2-126.9 128.2 18.8 18.8 26.1 49 51 B Y E -Ab 38 352A 15 -11,-2.4 -11,-1.4 -2,-0.4 2,-0.4 -0.759 15.4-160.2 -94.4 124.6 16.0 17.3 24.1 50 52 B L E +Ab 37 353A 0 302,-3.1 304,-2.3 -2,-0.5 308,-0.2 -0.865 22.2 161.9-109.4 136.6 15.3 18.7 20.7 51 53 B S + 0 0 9 -15,-2.3 2,-0.3 -2,-0.4 309,-0.3 0.517 47.5 86.2-129.5 -18.2 12.0 18.2 18.8 52 54 B S S > S- 0 0 10 -16,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.722 70.2-133.4 -88.9 148.8 11.8 20.9 16.1 53 55 B Q H > S+ 0 0 27 -2,-0.3 4,-2.4 305,-0.2 5,-0.3 0.874 106.6 64.8 -57.3 -36.6 13.1 20.7 12.5 54 56 B R H > S+ 0 0 79 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.923 112.6 29.4 -54.3 -50.2 14.4 24.2 13.2 55 57 B L H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.852 117.9 55.5 -79.4 -37.1 16.9 23.2 16.0 56 58 B I H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.876 99.8 59.7 -70.5 -32.4 17.6 19.7 14.8 57 59 B K H < S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.901 109.3 46.3 -63.8 -30.8 18.7 20.9 11.4 58 60 B E H >< S+ 0 0 44 -4,-0.7 3,-1.9 -5,-0.3 -2,-0.2 0.943 108.2 54.1 -72.8 -44.4 21.4 22.8 13.3 59 61 B A H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.730 102.1 61.6 -55.3 -25.1 22.3 19.8 15.5 60 62 B C T 3< S+ 0 0 6 -4,-1.4 2,-0.8 -5,-0.2 -1,-0.3 0.338 72.4 111.8 -91.5 6.3 22.9 17.9 12.3 61 63 B D X> - 0 0 63 -3,-1.9 4,-2.1 1,-0.2 3,-1.8 -0.743 57.4-158.3 -81.6 109.8 25.7 20.2 11.2 62 64 B E T 34 S+ 0 0 86 -2,-0.8 -1,-0.2 1,-0.3 5,-0.0 0.602 87.0 65.1 -72.1 -11.3 28.7 18.0 11.4 63 65 B S T 34 S+ 0 0 86 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.649 116.3 28.2 -80.1 -14.8 31.1 21.0 11.6 64 66 B R T <4 S+ 0 0 55 -3,-1.8 270,-2.9 1,-0.3 271,-0.6 0.660 125.0 35.4-117.0 -30.3 29.4 21.9 15.0 65 67 B F E < -C 333 0A 4 -4,-2.1 -1,-0.3 268,-0.2 2,-0.3 -0.977 57.8-169.7-135.7 141.2 28.2 18.6 16.5 66 68 B D E -C 332 0A 19 266,-2.2 266,-2.1 -2,-0.4 2,-0.1 -0.835 42.2 -75.3-121.0 165.5 29.5 15.0 16.5 67 69 B K E -C 331 0A 37 -2,-0.3 2,-0.4 264,-0.2 22,-0.3 -0.402 43.7-156.6 -59.7 132.3 27.9 11.7 17.6 68 70 B N - 0 0 13 262,-2.5 2,-0.8 283,-0.2 262,-0.5 -0.883 14.6-132.7-105.8 138.8 27.7 11.2 21.4 69 71 B L - 0 0 2 -2,-0.4 262,-0.1 260,-0.1 17,-0.1 -0.872 28.9-153.9 -90.0 111.2 27.5 7.7 22.8 70 72 B S > - 0 0 33 -2,-0.8 4,-2.8 260,-0.1 5,-0.2 -0.154 33.3 -85.8 -80.9 178.8 24.7 7.9 25.4 71 73 B Q H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.901 124.1 49.4 -60.7 -44.1 24.4 5.6 28.5 72 74 B A H >> S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 3,-1.4 0.974 115.3 43.0 -55.8 -64.4 22.6 2.7 26.8 73 75 B P H 3> S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.844 109.2 60.4 -46.7 -39.9 25.1 2.4 23.8 74 76 B K H 3< S+ 0 0 76 -4,-2.8 -2,-0.2 2,-0.2 4,-0.2 0.864 109.9 41.3 -52.3 -40.3 27.9 2.9 26.4 75 77 B F H X< S+ 0 0 43 -4,-1.8 3,-1.5 -3,-1.4 4,-0.2 0.869 111.1 53.9 -78.9 -39.2 26.6 -0.3 28.0 76 78 B V H >X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.2 3,-1.6 0.746 95.5 71.3 -56.9 -29.9 26.0 -2.1 24.7 77 79 B R H 3X S+ 0 0 71 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.2 0.762 82.3 74.0 -58.7 -22.1 29.7 -1.2 24.0 78 80 B D H <4 S+ 0 0 84 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.766 115.0 17.9 -63.3 -24.8 30.5 -3.9 26.7 79 81 B F H <4 S+ 0 0 2 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.640 129.9 46.4-120.0 -22.9 29.6 -6.5 24.1 80 82 B A H >< S- 0 0 2 -4,-3.0 3,-2.0 1,-0.2 6,-0.2 0.478 84.2-177.6 -97.4 -4.9 29.8 -4.8 20.7 81 83 B G T 3< - 0 0 8 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.001 63.3 -12.4 53.5-131.3 33.2 -3.1 21.5 82 84 B D T 3 S+ 0 0 29 5,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.059 94.5 138.5 -96.2 39.1 34.5 -0.8 18.9 83 85 B G S <> S- 0 0 0 -3,-2.0 4,-0.6 171,-0.2 3,-0.5 -0.127 73.4 -89.6 -65.3 173.0 32.1 -1.9 16.2 84 86 B L T 4 S+ 0 0 15 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.846 123.4 49.1 -62.7 -35.8 30.6 0.9 14.1 85 87 B F T 4 S+ 0 0 71 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.832 117.1 38.1 -75.7 -30.4 27.6 1.7 16.2 86 88 B T T 4 S+ 0 0 0 -3,-0.5 2,-0.3 -6,-0.2 -1,-0.2 0.212 95.4 101.5-116.4 10.0 29.4 1.9 19.6 87 89 B S S < S- 0 0 0 -4,-0.6 2,-0.2 -3,-0.4 -5,-0.1 -0.729 71.6-123.3 -85.2 148.3 32.6 3.6 18.4 88 90 B W > - 0 0 61 -2,-0.3 3,-1.9 1,-0.1 6,-0.3 -0.633 27.6-115.8 -88.7 152.1 33.3 7.4 18.7 89 91 B T T 3 S+ 0 0 21 -22,-0.3 6,-0.3 1,-0.3 -1,-0.1 0.800 113.7 55.8 -59.3 -30.8 34.0 9.2 15.4 90 92 B H T 3 S+ 0 0 134 4,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.432 81.9 104.4 -87.6 -0.8 37.6 10.0 16.5 91 93 B E S X> S- 0 0 48 -3,-1.9 3,-1.6 1,-0.1 4,-1.1 -0.661 75.8-130.2 -80.8 134.2 38.5 6.4 17.2 92 94 B K H 3> S+ 0 0 121 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.872 104.9 56.8 -51.1 -42.4 40.8 4.9 14.5 93 95 B N H 3> S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.699 98.2 62.0 -66.0 -18.9 38.6 1.8 14.1 94 96 B W H <> S+ 0 0 7 -3,-1.6 4,-2.6 -6,-0.3 5,-0.2 0.984 110.6 35.5 -70.0 -55.7 35.4 3.8 13.4 95 97 B K H X S+ 0 0 67 -4,-1.1 4,-2.5 -6,-0.3 5,-0.2 0.899 117.9 54.7 -70.4 -40.1 36.7 5.5 10.1 96 98 B K H X S+ 0 0 11 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.957 114.5 38.3 -49.6 -54.7 38.7 2.3 9.2 97 99 B A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.849 113.5 55.2 -71.7 -40.3 35.7 0.1 9.4 98 100 B H H X S+ 0 0 27 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.914 110.3 47.4 -54.4 -44.8 33.3 2.7 7.9 99 101 B N H < S+ 0 0 36 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.7 43.2 -65.9 -39.5 35.6 3.0 4.8 100 102 B I H < S+ 0 0 14 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.917 120.6 39.6 -72.5 -44.2 35.9 -0.7 4.4 101 103 B L H >< S+ 0 0 1 -4,-3.0 3,-0.8 1,-0.2 4,-0.4 0.691 92.6 81.5 -83.6 -25.9 32.2 -1.5 5.0 102 104 B L G >< S+ 0 0 85 -4,-2.0 3,-2.3 1,-0.2 4,-0.5 0.927 92.5 50.5 -53.3 -48.2 30.4 1.4 3.2 103 105 B P G > S+ 0 0 87 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.784 106.3 56.9 -64.1 -22.1 30.7 -0.3 -0.3 104 106 B S G < S+ 0 0 14 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.471 110.2 45.0 -81.1 -1.6 29.2 -3.6 1.2 105 107 B F G < S+ 0 0 10 -3,-2.3 297,-0.4 -4,-0.4 298,-0.3 0.347 86.5 118.1-121.5 5.9 26.1 -1.7 2.3 106 108 B S S <> S- 0 0 41 -3,-0.5 4,-1.0 -4,-0.5 3,-0.2 -0.174 81.1-106.8 -70.0 161.7 25.5 0.3 -0.8 107 109 B Q H >> S+ 0 0 66 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.926 123.4 55.1 -52.9 -45.4 22.3 -0.0 -2.8 108 110 B Q H >4 S+ 0 0 121 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.904 100.5 58.5 -52.5 -41.1 24.4 -1.9 -5.4 109 111 B A H >> S+ 0 0 22 1,-0.3 3,-1.1 -6,-0.2 4,-0.8 0.770 88.1 75.7 -66.6 -20.5 25.6 -4.3 -2.8 110 112 B M H XX S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.9 3,-0.6 0.830 81.6 69.8 -61.0 -32.3 22.0 -5.3 -2.1 111 113 B K H << S+ 0 0 106 -3,-1.4 4,-0.4 -4,-0.5 -1,-0.3 0.867 99.9 47.4 -47.1 -43.0 22.0 -7.3 -5.4 112 114 B G H <4 S+ 0 0 43 -3,-1.1 4,-0.3 -4,-0.4 -1,-0.2 0.700 113.8 44.7 -76.3 -23.7 24.4 -9.8 -3.7 113 115 B Y H S+ 0 0 62 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.907 112.5 47.6 -62.4 -40.0 19.1 -14.3 -2.8 116 118 B M H > S+ 0 0 64 -3,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.915 109.4 51.6 -68.2 -41.3 19.8 -14.8 0.9 117 119 B M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.866 110.2 51.6 -56.4 -39.5 17.1 -12.4 2.0 118 120 B V H X S+ 0 0 17 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.872 101.9 60.8 -64.1 -39.7 14.7 -14.3 -0.2 119 121 B D H X S+ 0 0 37 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.943 112.6 36.5 -54.8 -45.8 15.7 -17.6 1.4 120 122 B I H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.891 114.7 55.1 -77.0 -42.3 14.5 -16.4 4.8 121 123 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.869 106.6 52.5 -54.2 -42.5 11.4 -14.5 3.4 122 124 B V H X S+ 0 0 23 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.906 106.5 52.6 -59.7 -46.5 10.3 -17.7 1.7 123 125 B Q H X S+ 0 0 4 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.912 109.6 50.6 -56.0 -42.4 10.6 -19.5 5.1 124 126 B L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.953 112.6 44.5 -57.8 -49.2 8.3 -16.7 6.6 125 127 B V H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.894 113.1 51.5 -65.7 -40.2 5.7 -17.1 3.8 126 128 B Q H X S+ 0 0 37 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.922 106.6 54.6 -64.6 -40.2 5.8 -20.9 4.1 127 129 B K H < S+ 0 0 32 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.936 112.2 43.5 -57.7 -48.7 5.3 -20.7 7.9 128 130 B W H >< S+ 0 0 10 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.837 109.1 55.6 -67.2 -39.1 2.1 -18.6 7.3 129 131 B E H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.782 106.9 54.7 -59.1 -27.3 0.8 -20.8 4.5 130 132 B R T 3< S+ 0 0 29 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.393 82.2 111.2 -92.3 5.4 1.0 -23.8 6.9 131 133 B L < - 0 0 43 -3,-1.3 2,-0.1 -4,-0.1 483,-0.1 -0.434 67.6-119.1 -80.8 153.3 -1.1 -22.3 9.7 132 134 B N > - 0 0 26 481,-0.2 3,-1.7 4,-0.1 -1,-0.1 -0.407 33.1 -90.4 -87.2 174.3 -4.4 -23.8 10.4 133 135 B A T 3 S+ 0 0 79 1,-0.3 -2,-0.1 -2,-0.1 -1,-0.1 0.850 121.1 36.2 -57.1 -41.7 -7.8 -22.1 10.2 134 136 B D T 3 S+ 0 0 97 2,-0.1 -1,-0.3 311,-0.0 2,-0.1 0.323 95.6 101.3-104.1 17.1 -8.1 -20.9 13.7 135 137 B E < - 0 0 42 -3,-1.7 2,-0.3 311,-0.1 311,-0.2 -0.458 53.7-158.1 -90.2 168.8 -4.5 -20.0 14.4 136 138 B H - 0 0 82 -2,-0.1 2,-0.4 309,-0.1 309,-0.2 -0.844 17.8-105.4-140.3 176.0 -3.1 -16.5 14.2 137 139 B I E -E 444 0B 2 307,-3.2 307,-1.5 -2,-0.3 2,-0.8 -0.883 12.4-142.8-111.0 140.7 0.3 -14.9 13.7 138 140 B E E > -E 443 0B 96 -2,-0.4 4,-2.5 305,-0.2 305,-0.2 -0.878 26.2-162.7 -98.4 100.1 2.4 -13.2 16.4 139 141 B V H > S+ 0 0 0 303,-1.9 4,-2.5 -2,-0.8 5,-0.2 0.944 77.2 39.0 -65.7 -55.7 3.7 -10.4 14.2 140 142 B P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.873 116.3 54.8 -65.7 -32.4 6.8 -8.9 16.0 141 143 B E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.955 112.0 41.8 -61.7 -51.5 7.9 -12.4 17.0 142 144 B D H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.885 114.7 52.7 -62.2 -40.3 7.8 -13.7 13.4 143 145 B M H X S+ 0 0 1 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.900 110.0 47.3 -60.3 -38.4 9.4 -10.4 12.1 144 146 B T H X S+ 0 0 34 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.883 109.1 54.1 -76.5 -33.0 12.3 -10.7 14.6 145 147 B R H X S+ 0 0 42 -4,-2.1 4,-2.1 -5,-0.2 17,-0.3 0.954 113.2 45.0 -57.6 -44.0 12.7 -14.3 13.6 146 148 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.944 114.7 45.1 -69.1 -48.4 13.0 -13.2 10.0 147 149 B T H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.893 112.6 50.4 -70.3 -40.8 15.4 -10.3 10.5 148 150 B L H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.921 115.5 44.0 -51.3 -49.7 17.7 -12.2 12.9 149 151 B D H X S+ 0 0 3 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.892 112.4 52.3 -69.8 -33.3 18.0 -15.0 10.4 150 152 B T H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.912 113.2 42.7 -68.4 -45.0 18.4 -12.7 7.5 151 153 B I H X S+ 0 0 11 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.907 113.5 53.1 -70.8 -36.0 21.3 -10.7 9.1 152 154 B G H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 6,-1.9 0.942 113.3 43.9 -59.5 -47.1 22.9 -14.0 10.3 153 155 B L H X S+ 0 0 1 -4,-2.3 4,-2.0 4,-0.3 -2,-0.2 0.972 123.1 34.6 -64.7 -54.0 22.8 -15.4 6.7 154 156 B C H < S+ 0 0 3 -4,-2.8 77,-2.2 2,-0.2 78,-0.3 0.818 119.8 52.6 -71.5 -29.6 24.0 -12.1 5.0 155 157 B G H < S- 0 0 1 -4,-3.2 77,-1.4 -5,-0.3 -3,-0.2 0.949 138.7 -14.3 -76.5 -48.1 26.4 -11.2 7.9 156 158 B F H < S- 0 0 1 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.222 87.1-104.8-148.8 30.1 28.3 -14.4 8.3 157 159 B N S < S+ 0 0 77 -4,-2.0 2,-0.4 -5,-0.3 -4,-0.3 0.797 74.9 140.9 51.8 32.9 26.5 -17.2 6.3 158 160 B Y - 0 0 18 -6,-1.9 2,-0.7 -7,-0.1 -1,-0.2 -0.867 46.3-143.3-105.7 138.8 25.3 -18.7 9.7 159 161 B R - 0 0 41 -2,-0.4 427,-0.2 1,-0.1 -10,-0.1 -0.895 16.9-179.2-105.1 107.0 21.7 -20.1 10.1 160 162 B F - 0 0 0 -2,-0.7 9,-0.3 -12,-0.1 -1,-0.1 0.649 31.5-146.2 -75.1 -15.4 20.1 -19.4 13.5 161 163 B N > + 0 0 8 1,-0.1 3,-1.5 423,-0.1 -2,-0.1 0.908 32.2 168.7 47.0 51.4 17.1 -21.4 12.2 162 164 B S G > + 0 0 7 -17,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.765 69.3 61.2 -66.8 -28.0 14.7 -19.2 14.1 163 165 B F G 3 S+ 0 0 3 1,-0.2 -1,-0.3 -18,-0.2 -2,-0.1 0.511 98.8 58.7 -79.4 -0.9 11.7 -20.7 12.2 164 166 B Y G < S+ 0 0 28 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.191 105.4 64.6-100.9 11.3 12.5 -24.1 13.6 165 167 B R < - 0 0 50 -3,-1.1 454,-0.1 453,-0.2 4,-0.0 -0.957 44.6-171.7-140.5 149.2 12.3 -22.9 17.3 166 168 B D S S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.2 453,-0.1 0.666 99.2 50.0 -94.0 -44.7 10.3 -21.6 20.1 167 169 B Q S S- 0 0 89 1,-0.0 -1,-0.2 6,-0.0 6,-0.0 -0.874 98.7-124.5 -93.0 120.3 13.5 -21.0 22.2 168 170 B P - 0 0 55 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.015 37.3 -74.8 -60.6 160.0 16.0 -19.1 20.1 169 171 B H > - 0 0 16 -9,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.163 52.0-108.6 -44.4 141.5 19.5 -20.3 19.3 170 172 B P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.756 119.3 57.0 -52.8 -28.0 21.7 -19.8 22.4 171 173 B F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.914 107.9 46.3 -70.5 -42.8 23.5 -16.9 20.7 172 174 B I H > S+ 0 0 4 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.950 111.6 52.3 -62.3 -45.5 20.2 -15.0 20.2 173 175 B T H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.932 112.5 44.5 -56.2 -48.0 19.2 -15.7 23.8 174 176 B S H X S+ 0 0 5 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.894 114.0 50.8 -65.3 -38.5 22.4 -14.3 25.1 175 177 B M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.946 111.0 45.8 -63.3 -51.3 22.3 -11.3 22.8 176 178 B V H X S+ 0 0 56 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.847 115.8 47.8 -61.7 -35.3 18.8 -10.3 23.6 177 179 B R H X S+ 0 0 89 -4,-1.8 4,-3.2 -5,-0.3 -2,-0.2 0.919 110.1 51.7 -74.6 -43.4 19.6 -10.8 27.4 178 180 B A H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.889 111.6 47.8 -51.5 -45.7 22.8 -8.7 27.0 179 181 B L H X S+ 0 0 5 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.913 112.5 50.0 -61.7 -44.1 20.7 -6.0 25.3 180 182 B D H X S+ 0 0 65 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.919 108.5 51.4 -60.5 -43.5 18.2 -6.3 28.2 181 183 B E H X S+ 0 0 11 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.901 109.4 50.8 -59.7 -44.2 21.0 -6.0 30.8 182 184 B A H < S+ 0 0 0 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.845 115.0 43.6 -58.6 -39.7 22.3 -2.8 29.0 183 185 B M H >< S+ 0 0 26 -4,-1.8 3,-1.2 2,-0.2 4,-0.4 0.936 113.8 47.9 -74.2 -47.8 18.7 -1.4 29.1 184 186 B N H >< S+ 0 0 79 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.771 99.7 68.9 -63.0 -29.9 17.9 -2.4 32.8 185 187 B K G >< S+ 0 0 48 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.2 0.709 90.0 65.6 -61.2 -24.0 21.3 -1.0 33.9 186 188 B L G < S+ 0 0 73 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.840 103.5 43.2 -61.9 -36.9 19.9 2.5 33.1 187 189 B R G < S+ 0 0 100 -3,-1.1 2,-0.4 -4,-0.4 -1,-0.2 0.188 82.8 138.2 -99.5 17.1 17.2 2.3 35.9 188 190 B R < - 0 0 34 -3,-0.7 4,-0.1 1,-0.1 -3,-0.0 -0.527 46.6-146.7 -87.3 125.5 19.2 0.8 38.8 189 191 B A S S- 0 0 96 -2,-0.4 -1,-0.1 1,-0.3 3,-0.0 0.921 93.9 -7.3 -40.0 -88.7 18.9 2.0 42.4 190 192 B N S > S- 0 0 101 1,-0.1 3,-2.2 0, 0.0 -1,-0.3 -0.968 76.7-152.2-107.4 107.5 22.5 1.6 43.6 191 193 B P T 3 S+ 0 0 66 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.703 90.8 60.9 -55.5 -17.9 24.0 -0.3 40.6 192 194 B D T 3 S+ 0 0 120 -4,-0.1 5,-0.0 -3,-0.0 -3,-0.0 0.227 72.1 134.2 -95.6 10.6 26.5 -2.0 42.9 193 195 B D X - 0 0 75 -3,-2.2 3,-2.2 1,-0.1 4,-0.1 -0.384 64.8-124.5 -59.0 133.2 23.9 -3.8 45.1 194 196 B P G > S+ 0 0 101 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.607 106.3 72.5 -57.9 -13.3 24.8 -7.5 45.8 195 197 B A G 3 S+ 0 0 73 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.645 94.0 55.0 -72.0 -16.4 21.4 -8.5 44.4 196 198 B Y G <> S+ 0 0 55 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.355 78.1 92.7 -96.5 5.4 22.7 -7.6 40.9 197 199 B D H <> S+ 0 0 74 -3,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.787 85.3 53.5 -74.7 -25.9 25.8 -9.9 40.9 198 200 B E H > S+ 0 0 104 -3,-0.3 4,-3.4 -4,-0.2 -1,-0.2 0.924 106.8 51.2 -63.7 -51.4 23.8 -12.6 39.3 199 201 B N H > S+ 0 0 59 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.906 113.1 47.1 -51.6 -43.4 22.8 -10.2 36.5 200 202 B K H X S+ 0 0 81 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.931 111.7 48.5 -64.4 -51.3 26.6 -9.4 36.2 201 203 B R H X S+ 0 0 115 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 113.8 48.5 -51.7 -50.6 27.6 -13.1 36.2 202 204 B Q H X S+ 0 0 39 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.871 109.2 52.2 -58.2 -42.7 24.9 -13.7 33.6 203 205 B F H X S+ 0 0 5 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.943 109.0 50.2 -63.4 -46.0 26.1 -10.7 31.4 204 206 B Q H X S+ 0 0 122 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.884 111.7 48.0 -61.5 -38.4 29.7 -12.0 31.4 205 207 B E H X S+ 0 0 92 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.904 110.0 52.1 -64.7 -42.1 28.4 -15.5 30.3 206 208 B D H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 108.4 51.2 -63.6 -43.4 26.3 -13.9 27.6 207 209 B I H X S+ 0 0 20 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.951 111.2 49.2 -52.7 -49.0 29.3 -12.0 26.3 208 210 B K H X S+ 0 0 127 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.923 108.6 51.4 -60.7 -44.6 31.3 -15.3 26.3 209 211 B V H X S+ 0 0 36 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.911 114.0 45.7 -57.1 -41.6 28.5 -17.2 24.4 210 212 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.941 115.3 43.3 -72.6 -50.9 28.5 -14.4 21.8 211 213 B N H X S+ 0 0 27 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.882 111.5 55.0 -61.5 -39.5 32.3 -14.1 21.3 212 214 B D H X S+ 0 0 69 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.924 112.3 42.3 -63.2 -41.8 32.9 -17.9 21.2 213 215 B L H X S+ 0 0 23 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.968 119.9 41.2 -68.7 -54.4 30.4 -18.4 18.4 214 216 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.938 115.2 51.0 -62.4 -44.7 31.4 -15.5 16.3 215 217 B D H X S+ 0 0 57 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.890 110.4 50.1 -58.8 -38.9 35.2 -16.0 16.9 216 218 B K H X S+ 0 0 94 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.870 108.8 52.0 -66.4 -35.7 34.8 -19.7 15.9 217 219 B I H X S+ 0 0 24 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.937 111.0 47.0 -71.2 -40.9 33.0 -18.7 12.7 218 220 B I H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.941 112.9 50.6 -58.8 -48.0 35.7 -16.3 11.7 219 221 B A H X S+ 0 0 54 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.921 111.4 46.3 -56.4 -46.0 38.2 -19.0 12.6 220 222 B D H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.836 111.8 52.2 -68.3 -34.6 36.5 -21.6 10.4 221 223 B R H X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.2 5,-0.4 0.914 110.0 47.3 -68.5 -42.9 36.1 -19.3 7.5 222 224 B K H < S+ 0 0 116 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 115.3 46.6 -63.3 -33.6 39.8 -18.3 7.5 223 225 B A H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 114.4 45.5 -77.2 -46.8 40.8 -22.0 7.7 224 226 B S H < S- 0 0 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A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.951 115.8 49.6 -68.5 -45.9 -10.6 -33.6 16.7 669 217 A D H X S+ 0 0 53 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.887 110.6 51.7 -53.9 -46.4 -14.3 -32.9 17.3 670 218 A K H X S+ 0 0 68 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.931 110.5 48.0 -60.8 -45.6 -13.8 -29.3 16.2 671 219 A I H X S+ 0 0 19 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.938 112.8 47.3 -64.0 -41.0 -12.1 -30.4 13.0 672 220 A I H X S+ 0 0 3 -4,-2.9 4,-2.5 1,-0.2 3,-0.4 0.958 113.3 48.9 -63.5 -52.8 -14.7 -32.9 12.1 673 221 A A H X S+ 0 0 56 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.930 111.5 50.3 -45.2 -51.3 -17.5 -30.4 12.8 674 222 A D H X S+ 0 0 62 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.812 111.2 48.4 -60.7 -37.9 -15.6 -27.8 10.6 675 223 A R H X S+ 0 0 9 -4,-1.8 4,-2.8 -3,-0.4 5,-0.4 0.855 110.0 49.0 -75.5 -39.3 -15.3 -30.2 7.7 676 224 A K H < S+ 0 0 116 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.776 114.1 51.2 -67.2 -25.7 -18.9 -31.3 7.7 677 225 A A H < S+ 0 0 83 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.925 117.5 33.9 -78.1 -52.3 -19.8 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4.0 688 236 A H H X S+ 0 0 63 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.829 111.4 52.7 -62.4 -35.4 -13.1 -41.2 3.5 689 237 A M H < S+ 0 0 1 -4,-2.3 12,-0.5 2,-0.2 -2,-0.2 0.902 109.2 46.5 -72.9 -38.2 -14.6 -41.6 7.0 690 238 A L H < S+ 0 0 47 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.857 121.9 37.6 -68.4 -32.6 -17.4 -39.0 6.5 691 239 A N H < S+ 0 0 101 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.534 96.3 105.6 -92.5 -9.1 -18.3 -40.5 3.0 692 240 A G < - 0 0 16 -4,-1.1 2,-0.4 -3,-0.2 9,-0.3 -0.420 46.0-168.7 -83.4 149.7 -17.8 -44.1 3.8 693 241 A K - 0 0 153 7,-0.2 6,-0.1 -2,-0.1 -3,-0.0 -0.998 27.3-118.8-133.8 135.6 -20.5 -46.8 4.3 694 242 A D > - 0 0 1 5,-3.2 4,-2.6 -2,-0.4 5,-0.2 -0.493 17.9-147.8 -69.7 120.2 -20.0 -50.3 5.7 695 243 A P T 4 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -145,-0.1 0.868 94.4 49.7 -61.9 -30.9 -21.1 -52.7 3.0 696 244 A E T 4 S+ 0 0 128 1,-0.1 -146,-0.1 3,-0.1 -2,-0.0 0.985 126.7 20.8 -69.7 -59.3 -22.2 -55.3 5.6 697 245 A T T 4 S- 0 0 64 2,-0.2 -1,-0.1 1,-0.0 -147,-0.0 0.775 93.8-132.6 -78.2 -24.6 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5.8 -43.8 17.5 720 268 A A H > S+ 0 0 19 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.913 114.9 44.2 -55.7 -40.4 6.1 -47.2 16.0 721 269 A T H X S+ 0 0 13 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.893 113.1 49.8 -74.7 -40.4 6.9 -45.7 12.5 722 270 A S H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.893 110.4 52.7 -64.6 -38.3 9.3 -43.1 13.9 723 271 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.902 106.6 52.0 -58.1 -46.4 11.1 -45.9 15.8 724 272 A L H X S+ 0 0 4 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.969 110.6 48.3 -61.1 -49.2 11.5 -48.0 12.5 725 273 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.893 112.0 48.9 -52.9 -41.1 13.1 -45.0 10.8 726 274 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.898 114.3 44.3 -71.2 -43.2 15.4 -44.4 13.7 727 275 A F H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.936 111.3 53.9 -65.1 -41.2 16.5 -48.1 13.9 728 276 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.2 0.950 112.2 44.8 -58.2 -49.5 16.9 -48.3 10.1 729 277 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.2 5,-0.3 0.930 111.1 54.4 -57.8 -43.7 19.2 -45.3 10.2 730 278 A Y H X S+ 0 0 30 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.956 109.9 45.4 -56.4 -53.5 21.0 -46.7 13.1 731 279 A F H X S+ 0 0 18 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.920 112.7 51.5 -60.9 -36.9 21.8 -50.0 11.3 732 280 A L H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.3 7,-0.6 0.940 109.8 47.5 -67.6 -44.2 22.8 -48.3 8.2 733 281 A V H 3< S+ 0 0 17 -4,-3.2 144,-0.2 1,-0.3 -1,-0.2 0.857 115.0 47.8 -64.5 -30.8 25.3 -45.9 9.9 734 282 A K H 3< S+ 0 0 54 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.596 115.2 48.4 -79.3 -9.0 26.7 -49.0 11.8 735 283 A N XX + 0 0 47 -3,-1.1 4,-2.3 -4,-0.7 3,-1.1 -0.659 66.6 177.9-132.8 72.6 26.9 -50.9 8.4 736 284 A P H 3> S+ 0 0 90 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.786 79.1 55.8 -59.1 -29.4 28.6 -48.7 5.9 737 285 A H H 3> S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.855 112.2 43.5 -67.7 -36.2 28.5 -51.3 3.1 738 286 A E H <> S+ 0 0 34 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.892 111.1 54.1 -76.2 -42.1 24.7 -51.5 3.4 739 287 A L H X S+ 0 0 25 -4,-2.3 4,-3.0 -7,-0.6 5,-0.3 0.957 109.7 50.1 -52.8 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63.0 -88.5 -43.0 15.9 -44.3 -8.5 750 298 A L < + 0 0 3 -4,-2.3 -1,-0.2 -5,-0.3 -4,-0.0 -0.557 58.9 150.4 -93.1 70.7 15.0 -40.9 -7.2 751 299 A V + 0 0 102 -2,-1.9 -1,-0.2 -3,-0.2 -4,-0.1 0.343 50.2 71.4 -85.9 1.6 16.0 -39.0 -10.4 752 300 A D S S- 0 0 79 -3,-0.1 4,-0.0 1,-0.1 -3,-0.0 -0.822 92.4-104.8-121.1 159.2 13.6 -36.1 -9.9 753 301 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.829 109.5 22.4 -58.2 -37.3 13.5 -33.2 -7.5 754 302 A V S S- 0 0 63 -3,-0.0 2,-0.2 -178,-0.0 -2,-0.1 -0.957 96.8-105.6-122.6 150.4 10.7 -34.7 -5.4 755 303 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -183,-0.1 -0.507 27.8-142.5 -75.7 143.1 10.0 -38.4 -5.4 756 304 A S > - 0 0 46 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.576 26.3-109.3 -91.9 165.5 6.9 -39.8 -7.1 757 305 A Y H > S+ 0 0 36 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.940 119.9 51.2 -56.6 -48.1 4.8 -42.7 -5.8 758 306 A K H > S+ 0 0 153 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.886 106.7 53.6 -60.9 -36.1 6.1 -45.0 -8.5 759 307 A Q H >4 S+ 0 0 25 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.916 105.0 53.7 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