==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-MAR-10 3M4V . COMPND 2 MOLECULE: BIFUNCTIONAL P-450/NADPH-P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR W.YANG,C.J.C.WHITEHOUSE,S.G.BELL,M.BARTLAM,L.L.WONG,Z.RAO . 889 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.4 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 . 43 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 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 2 0 0 4 0 1 0 0 1 1 0 0 0 1 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 4 6 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 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 5 A M 0 0 90 0, 0.0 35,-0.1 0, 0.0 340,-0.0 0.000 360.0 360.0 360.0 133.5 -9.9 25.6 -2.8 2 6 A P - 0 0 49 0, 0.0 35,-2.7 0, 0.0 30,-0.1 -0.307 360.0-177.6 -58.6 144.8 -13.1 23.6 -2.1 3 7 A Q - 0 0 55 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.989 22.1-118.4-146.5 138.6 -12.6 20.6 0.1 4 8 A P - 0 0 17 0, 0.0 33,-0.0 0, 0.0 24,-0.0 -0.023 54.9 -55.4 -68.6-179.6 -15.0 17.8 1.4 5 9 A K - 0 0 148 1,-0.1 2,-0.3 7,-0.1 10,-0.2 -0.192 57.2-135.7 -62.3 148.2 -15.9 17.1 5.0 6 10 A T - 0 0 89 -3,-0.1 6,-0.2 8,-0.1 3,-0.1 -0.720 13.2-151.8-111.7 156.7 -13.1 16.4 7.5 7 11 A F > - 0 0 84 4,-2.4 3,-1.7 1,-0.4 2,-0.1 -0.467 50.4-103.6-121.6 55.5 -12.6 13.8 10.3 8 12 A G G > S- 0 0 63 1,-0.3 3,-1.6 2,-0.2 -1,-0.4 -0.397 98.5 -0.1 61.0-126.7 -10.3 15.7 12.7 9 13 A E G 3 S+ 0 0 176 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.585 130.5 62.5 -73.3 -12.2 -6.7 14.6 12.5 10 14 A L G X S- 0 0 74 -3,-1.7 3,-2.0 1,-0.3 -1,-0.3 0.439 87.7-168.4 -89.0 -1.6 -7.5 12.0 9.8 11 15 A K T < - 0 0 81 -3,-1.6 -4,-2.4 1,-0.3 -1,-0.3 -0.231 63.5 -20.6 50.9-124.6 -8.6 14.9 7.5 12 16 A N T > S+ 0 0 0 27,-1.7 3,-2.0 -6,-0.2 4,-0.3 0.530 110.0 103.4 -87.1 -5.6 -10.5 13.6 4.4 13 17 A L G X + 0 0 40 -3,-2.0 3,-2.0 26,-0.4 4,-0.2 0.789 69.9 58.8 -55.1 -43.7 -9.1 10.0 4.6 14 18 A P G > S+ 0 0 30 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.742 90.2 76.3 -60.3 -18.0 -12.1 8.1 6.1 15 19 A L G < S+ 0 0 30 -3,-2.0 -2,-0.2 1,-0.3 9,-0.1 0.713 97.7 45.2 -61.3 -23.2 -14.0 9.3 3.0 16 20 A L G < S+ 0 0 44 -3,-2.0 2,-1.8 -4,-0.3 -1,-0.3 0.338 83.2 98.9-102.6 4.3 -12.2 6.6 1.0 17 21 A N < + 0 0 113 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.1 -0.585 69.6 102.1 -84.0 72.5 -12.7 4.0 3.7 18 22 A T S S- 0 0 66 -2,-1.8 6,-0.0 1,-0.0 -3,-0.0 -0.977 84.8-116.7-156.1 152.0 -15.7 2.8 1.6 19 23 A D S S+ 0 0 146 -2,-0.3 412,-0.6 1,-0.2 -1,-0.0 0.753 112.7 40.8 -66.3 -23.6 -16.5 -0.0 -0.8 20 24 A K > + 0 0 71 1,-0.1 4,-2.0 410,-0.1 -1,-0.2 -0.588 63.7 157.1-129.4 70.2 -17.0 2.5 -3.6 21 25 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.876 74.9 50.5 -67.4 -40.3 -14.3 5.3 -3.5 22 26 A V H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.934 113.0 46.9 -64.4 -44.5 -14.5 6.5 -7.2 23 27 A Q H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.878 111.5 52.3 -62.8 -37.6 -18.3 6.8 -7.0 24 28 A A H X S+ 0 0 26 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.905 109.2 49.6 -62.2 -41.4 -17.9 8.6 -3.7 25 29 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.816 106.6 55.7 -67.5 -33.3 -15.4 11.0 -5.3 26 30 A M H X S+ 0 0 13 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.894 107.4 49.4 -62.5 -41.0 -17.9 11.6 -8.2 27 31 A K H X S+ 0 0 147 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.821 110.1 51.0 -69.1 -32.4 -20.5 12.7 -5.6 28 32 A I H X S+ 0 0 20 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.913 109.5 50.4 -67.3 -43.3 -18.0 15.0 -4.0 29 33 A A H X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.850 104.8 58.9 -62.9 -36.1 -17.3 16.5 -7.4 30 34 A D H < S+ 0 0 116 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 116.7 31.5 -59.0 -44.3 -21.0 17.0 -8.1 31 35 A E H < S+ 0 0 156 -4,-1.3 -2,-0.2 -3,-0.1 -1,-0.2 0.755 128.3 39.1 -87.8 -25.1 -21.4 19.2 -5.0 32 36 A L H < S- 0 0 50 -4,-2.5 3,-0.3 1,-0.2 2,-0.2 0.739 99.1-141.7 -98.3 -26.1 -17.9 20.8 -5.0 33 37 A G < - 0 0 32 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.648 50.5 -15.8 105.2-157.2 -17.3 21.4 -8.8 34 38 A E S S+ 0 0 54 -2,-0.2 15,-2.2 1,-0.1 16,-0.7 0.572 124.2 28.4 -69.3 -15.0 -14.3 21.1 -11.2 35 39 A I E +A 48 0A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.975 59.8 167.8-150.1 132.7 -11.6 21.1 -8.5 36 40 A F E -A 47 0A 0 11,-1.5 11,-2.9 -2,-0.3 2,-0.3 -0.990 29.4-126.3-143.3 143.5 -11.3 19.9 -4.9 37 41 A K E -A 46 0A 40 -35,-2.7 2,-0.4 -2,-0.3 9,-0.2 -0.610 21.1-163.3 -79.3 140.3 -8.5 19.3 -2.4 38 42 A F E -A 45 0A 12 7,-3.1 7,-2.1 -2,-0.3 2,-0.3 -0.980 9.0-168.5-129.1 121.5 -8.3 16.0 -0.7 39 43 A E E +A 44 0A 43 -2,-0.4 -27,-1.7 5,-0.2 -26,-0.4 -0.839 12.6 172.9-115.2 145.3 -6.1 15.6 2.4 40 44 A A E > -A 43 0A 14 3,-2.4 3,-2.7 -2,-0.3 -29,-0.1 -0.908 58.2 -62.5-135.3 161.5 -4.9 12.6 4.3 41 45 A P T 3 S- 0 0 61 0, 0.0 3,-0.1 0, 0.0 -31,-0.1 -0.307 125.1 -9.3 -48.1 116.8 -2.4 12.5 7.2 42 46 A G T 3 S+ 0 0 81 1,-0.1 2,-0.3 -2,-0.0 -3,-0.0 0.499 124.2 88.1 72.1 7.4 0.8 13.8 5.6 43 47 A R E < -A 40 0A 132 -3,-2.7 -3,-2.4 2,-0.0 2,-0.3 -0.962 47.9-177.4-137.3 152.1 -0.6 13.7 2.1 44 48 A V E +A 39 0A 48 -2,-0.3 304,-0.4 -5,-0.2 2,-0.3 -0.994 6.0 166.4-147.7 144.3 -2.5 16.0 -0.3 45 49 A T E -A 38 0A 16 -7,-2.1 -7,-3.1 -2,-0.3 2,-0.4 -0.940 26.5-129.8-147.1 171.1 -3.9 15.8 -3.8 46 50 A R E -Ab 37 349A 25 302,-0.6 304,-2.9 -2,-0.3 2,-0.5 -0.978 16.1-144.1-130.8 117.9 -6.3 17.8 -6.0 47 51 A Y E -Ab 36 350A 20 -11,-2.9 -11,-1.5 -2,-0.4 2,-0.4 -0.727 14.3-159.2 -87.6 123.6 -9.2 16.1 -7.9 48 52 A L E +Ab 35 351A 0 302,-3.4 304,-2.7 -2,-0.5 308,-0.2 -0.847 21.8 163.5-105.4 135.4 -10.0 17.5 -11.3 49 53 A S + 0 0 10 -15,-2.2 2,-0.3 -2,-0.4 309,-0.2 0.488 49.3 80.7-129.5 -10.6 -13.4 17.0 -13.0 50 54 A S S > S- 0 0 9 -16,-0.7 4,-2.6 1,-0.1 3,-0.3 -0.787 71.3-132.8-105.6 147.8 -13.7 19.6 -15.9 51 55 A Q H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 107.0 66.3 -59.9 -33.1 -12.2 19.4 -19.4 52 56 A R H > S+ 0 0 80 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.913 112.7 28.6 -52.8 -50.4 -11.0 23.0 -18.7 53 57 A L H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 3,-0.4 0.868 118.6 55.5 -83.8 -39.5 -8.6 22.0 -16.0 54 58 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.860 99.1 62.5 -62.2 -38.3 -7.8 18.4 -17.2 55 59 A K H < S+ 0 0 100 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 109.1 42.2 -52.2 -42.0 -6.7 19.8 -20.6 56 60 A E H >< S+ 0 0 45 -4,-0.6 3,-1.9 -3,-0.4 -2,-0.2 0.887 109.2 56.3 -73.3 -42.3 -4.0 21.7 -18.8 57 61 A A H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.791 102.1 60.4 -58.1 -27.4 -3.1 18.7 -16.5 58 62 A C T 3< S+ 0 0 6 -4,-1.8 2,-0.9 -5,-0.2 -1,-0.3 0.370 74.2 109.9 -83.8 2.2 -2.6 16.8 -19.8 59 63 A D X> - 0 0 59 -3,-1.9 4,-2.2 1,-0.2 3,-1.9 -0.742 57.7-159.1 -81.7 105.5 0.2 19.2 -20.9 60 64 A E T 34 S+ 0 0 86 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.627 86.9 64.2 -66.4 -15.7 3.3 16.9 -20.6 61 65 A S T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.695 116.5 29.5 -77.7 -17.9 5.6 19.9 -20.5 62 66 A R T <4 S+ 0 0 51 -3,-1.9 270,-2.5 1,-0.3 271,-0.6 0.706 126.5 32.3-110.2 -30.3 4.0 20.9 -17.2 63 67 A F E < -C 331 0A 4 -4,-2.2 2,-0.3 268,-0.2 -1,-0.3 -0.985 57.3-170.9-138.6 142.3 2.8 17.6 -15.7 64 68 A D E -C 330 0A 18 266,-1.9 266,-2.5 -2,-0.3 2,-0.1 -0.849 42.9 -75.5-126.5 160.7 4.1 14.0 -15.7 65 69 A K E -C 329 0A 29 -2,-0.3 2,-0.4 264,-0.2 22,-0.3 -0.349 45.7-158.0 -56.8 130.1 2.5 10.7 -14.5 66 70 A N E -C 328 0A 8 262,-2.6 2,-0.8 283,-0.2 262,-0.6 -0.864 16.5-127.2-105.8 146.0 2.5 10.2 -10.7 67 71 A L - 0 0 1 -2,-0.4 262,-0.1 260,-0.1 17,-0.1 -0.863 27.1-145.0 -89.3 110.0 2.3 6.9 -8.9 68 72 A S > - 0 0 32 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.207 33.8 -96.9 -59.6 163.4 -0.5 7.2 -6.4 69 73 A Q H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.867 127.8 58.0 -53.7 -36.3 -0.1 5.3 -3.1 70 74 A A H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.947 107.7 43.9 -57.5 -51.5 -2.1 2.5 -4.7 71 75 A L H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.871 109.4 57.6 -64.7 -35.8 0.3 2.1 -7.6 72 76 A K H < S+ 0 0 70 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.859 110.4 43.9 -59.9 -38.0 3.3 2.3 -5.2 73 77 A F H >< S+ 0 0 44 -4,-1.8 3,-1.2 -3,-0.3 -2,-0.2 0.853 110.8 53.8 -74.4 -36.9 1.8 -0.7 -3.3 74 78 A V H >X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 3,-2.1 0.834 95.6 70.4 -65.7 -29.8 1.0 -2.5 -6.6 75 79 A R H 3X S+ 0 0 69 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.745 77.7 78.9 -59.2 -23.5 4.7 -2.0 -7.5 76 80 A D H <4 S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.771 116.9 13.8 -57.0 -25.3 5.6 -4.5 -4.8 77 81 A F H <4 S+ 0 0 1 -3,-2.1 -2,-0.2 -4,-0.2 -1,-0.2 0.547 127.9 54.4-122.0 -17.8 4.5 -7.2 -7.4 78 82 A A H >< S- 0 0 0 -4,-2.2 3,-1.8 1,-0.2 6,-0.2 0.529 84.4-176.0 -93.2 -8.7 4.4 -5.3 -10.7 79 83 A G T 3< - 0 0 8 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.070 60.3 -23.5 56.1-144.3 8.0 -4.0 -10.2 80 84 A D T 3 S+ 0 0 28 5,-0.1 -1,-0.2 3,-0.1 5,-0.1 -0.150 95.1 141.7 -95.6 39.9 9.3 -1.6 -12.8 81 85 A G S < S- 0 0 0 -3,-1.8 3,-0.4 171,-0.2 4,-0.3 -0.163 72.1 -90.6 -59.5 171.7 6.8 -2.8 -15.4 82 86 A L S > S+ 0 0 15 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.857 123.6 51.7 -59.6 -39.7 5.4 -0.1 -17.7 83 87 A F T 3 S+ 0 0 59 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.809 116.8 35.5 -72.2 -32.8 2.4 0.7 -15.5 84 88 A T T 3 S+ 0 0 0 -3,-0.4 2,-0.3 -6,-0.2 -1,-0.2 0.075 96.2 96.8-117.7 24.1 4.2 1.2 -12.2 85 89 A S S < S- 0 0 0 -3,-0.7 2,-0.2 -4,-0.3 -5,-0.1 -0.801 73.3-114.0-109.0 154.9 7.4 2.9 -13.3 86 90 A W > - 0 0 55 -2,-0.3 3,-1.7 1,-0.1 6,-0.3 -0.592 25.6-120.0 -81.0 148.3 8.3 6.6 -13.4 87 91 A T T 3 S+ 0 0 23 -22,-0.3 6,-0.3 1,-0.3 -1,-0.1 0.848 113.4 54.6 -54.7 -35.0 8.8 8.2 -16.8 88 92 A H T 3 S+ 0 0 134 4,-0.1 2,-0.3 5,-0.1 -1,-0.3 0.471 83.3 103.6 -84.7 -5.1 12.4 9.1 -15.8 89 93 A E S X> S- 0 0 46 -3,-1.7 3,-1.7 1,-0.1 4,-1.0 -0.649 77.5-128.2 -76.6 134.3 13.4 5.6 -14.8 90 94 A K H 3> S+ 0 0 119 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.877 106.6 57.3 -45.2 -48.0 15.6 3.9 -17.5 91 95 A N H 3> S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.668 98.5 60.9 -65.3 -20.9 13.4 0.9 -17.6 92 96 A W H <> S+ 0 0 7 -3,-1.7 4,-2.4 -6,-0.3 -1,-0.2 0.977 111.2 35.4 -66.4 -58.8 10.2 2.9 -18.5 93 97 A K H X S+ 0 0 69 -4,-1.0 4,-2.7 -6,-0.3 5,-0.2 0.875 116.4 56.1 -66.7 -38.1 11.5 4.3 -21.8 94 98 A K H X S+ 0 0 13 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.951 113.8 38.6 -56.1 -53.0 13.4 1.2 -22.6 95 99 A A H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.851 113.7 56.2 -69.2 -36.7 10.3 -1.1 -22.4 96 100 A H H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.941 109.2 46.4 -57.8 -51.2 8.1 1.5 -24.0 97 101 A N H < S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 117.3 43.4 -58.7 -45.0 10.3 1.7 -27.1 98 102 A I H < S+ 0 0 15 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.926 120.5 39.7 -67.1 -45.3 10.5 -2.1 -27.3 99 103 A L H >X S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 4,-0.6 0.751 92.8 80.6 -83.1 -26.1 6.8 -2.8 -26.6 100 104 A L G >< S+ 0 0 88 -4,-2.5 3,-1.5 1,-0.3 4,-0.3 0.888 95.0 47.7 -50.4 -48.9 5.1 -0.0 -28.6 101 105 A P G >4 S+ 0 0 85 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.789 107.8 56.9 -63.3 -28.1 5.4 -1.8 -32.0 102 106 A S G <4 S+ 0 0 13 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.528 110.4 44.9 -80.0 -4.5 4.1 -5.0 -30.4 103 107 A F G << S+ 0 0 10 -3,-1.5 297,-0.4 -4,-0.6 298,-0.3 0.254 87.3 117.3-118.4 6.3 0.9 -3.2 -29.3 104 108 A S S <> S- 0 0 41 -3,-0.7 4,-1.1 -4,-0.3 3,-0.1 -0.217 81.7-104.3 -71.8 165.6 0.2 -1.3 -32.5 105 109 A Q T >4 S+ 0 0 69 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.900 124.6 53.1 -54.5 -41.5 -3.0 -1.8 -34.6 106 110 A Q T >4 S+ 0 0 110 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.880 101.7 58.3 -61.5 -40.5 -0.9 -3.8 -37.1 107 111 A A T >> S+ 0 0 21 1,-0.3 3,-1.2 -6,-0.2 4,-0.8 0.760 89.5 74.0 -62.7 -23.9 0.4 -6.0 -34.3 108 112 A M H S+ 0 0 56 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.885 111.8 45.1 -59.1 -43.3 -6.0 -16.0 -33.8 114 118 A M H > S+ 0 0 55 -3,-0.4 4,-1.6 -4,-0.2 -1,-0.2 0.830 111.8 52.8 -73.6 -30.4 -5.4 -16.5 -30.1 115 119 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.884 110.0 48.9 -64.5 -40.9 -8.1 -13.9 -29.2 116 120 A V H X S+ 0 0 14 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.879 104.1 61.5 -65.4 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-4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.871 113.9 53.8 -72.1 -36.2 -35.6 37.1 -46.5 593 145 B M H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.910 109.2 50.0 -62.1 -40.1 -34.1 33.8 -45.2 594 146 B T H X S+ 0 0 33 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.883 107.2 53.5 -66.3 -38.8 -31.3 34.3 -47.7 595 147 B R H X S+ 0 0 43 -4,-1.7 4,-2.1 1,-0.2 17,-0.3 0.936 112.8 46.3 -56.4 -46.9 -30.7 37.9 -46.5 596 148 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 114.3 44.1 -63.1 -50.1 -30.4 36.5 -43.0 597 149 B T H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.911 113.6 50.5 -70.3 -41.4 -28.0 33.6 -43.8 598 150 B L H X S+ 0 0 5 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.970 114.5 44.3 -53.8 -54.7 -25.8 35.6 -46.0 599 151 B D H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.866 113.0 51.7 -59.7 -39.0 -25.4 38.3 -43.4 600 152 B T H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.909 112.6 43.8 -67.4 -42.5 -24.9 35.8 -40.6 601 153 B I H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.922 113.8 52.1 -68.5 -43.4 -22.1 34.0 -42.4 602 154 B G H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 6,-1.9 0.925 116.1 40.5 -52.6 -48.4 -20.5 37.3 -43.5 603 155 B L H X S+ 0 0 2 -4,-2.5 4,-1.6 4,-0.3 -2,-0.2 0.953 124.2 35.3 -71.2 -52.5 -20.6 38.5 -39.8 604 156 B C H < S+ 0 0 0 -4,-2.9 65,-2.3 -5,-0.2 66,-0.2 0.793 121.3 51.6 -70.0 -27.7 -19.5 35.2 -38.1 605 157 B G H < S- 0 0 1 -4,-2.8 65,-1.6 -5,-0.3 -3,-0.2 0.939 137.9 -13.2 -75.7 -51.6 -17.2 34.4 -41.0 606 158 B F H < S- 0 0 1 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.133 90.2-102.1-147.8 27.5 -15.1 37.5 -41.4 607 159 B N S < S+ 0 0 61 -4,-1.6 2,-0.4 1,-0.2 -4,-0.3 0.835 75.3 142.1 54.7 39.9 -16.8 40.3 -39.4 608 160 B Y - 0 0 58 -6,-1.9 2,-0.8 -7,-0.1 -1,-0.2 -0.938 45.5-145.1-118.9 132.6 -18.3 41.8 -42.5 609 161 B R + 0 0 102 -2,-0.4 -10,-0.1 1,-0.2 -9,-0.1 -0.848 16.0 179.2-100.1 105.7 -21.7 43.4 -42.8 610 162 B F - 0 0 0 -2,-0.8 9,-0.3 -11,-0.1 -1,-0.2 0.722 30.5-147.8 -68.8 -24.4 -23.4 42.8 -46.2 611 163 B N > + 0 0 58 -3,-0.1 3,-2.0 1,-0.1 4,-0.1 0.876 31.4 167.9 57.3 44.1 -26.3 44.8 -44.8 612 164 B S G > + 0 0 6 -17,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.756 68.8 60.3 -61.3 -28.6 -28.8 42.8 -46.9 613 165 B F G 3 S+ 0 0 36 1,-0.2 -1,-0.3 -18,-0.1 -2,-0.1 0.518 99.2 58.9 -79.5 -4.0 -31.8 44.1 -45.0 614 166 B Y G < S+ 0 0 181 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 0.329 105.7 57.2 -99.6 3.8 -30.9 47.6 -46.1 615 167 B R < - 0 0 86 -3,-1.1 4,-0.1 1,-0.1 -4,-0.0 -0.952 46.3-166.0-143.5 152.8 -31.1 46.8 -49.8 616 168 B D S S+ 0 0 146 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.773 98.9 55.6 -90.2 -48.5 -33.1 45.6 -52.7 617 169 B Q S S- 0 0 158 1,-0.0 -1,-0.2 6,-0.0 6,-0.0 -0.797 99.0-128.5 -85.9 113.3 -29.9 45.3 -54.8 618 170 B P - 0 0 56 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.109 36.0 -73.3 -62.8 160.0 -27.6 43.0 -52.8 619 171 B H >> - 0 0 22 -9,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.240 50.6-110.3 -46.7 136.7 -24.0 43.9 -51.9 620 172 B P H 3> S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.770 118.5 55.7 -41.0 -40.2 -21.7 43.6 -55.0 621 173 B F H 3> S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.954 109.0 46.1 -60.9 -51.2 -20.0 40.5 -53.5 622 174 B I H <> S+ 0 0 4 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.943 112.0 51.0 -57.5 -51.2 -23.4 38.7 -53.1 623 175 B T H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.913 114.4 45.0 -50.0 -48.3 -24.4 39.7 -56.6 624 176 B S H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 113.8 47.6 -64.6 -46.8 -21.1 38.3 -57.9 625 177 B M H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.951 114.7 46.7 -60.0 -51.0 -21.2 35.0 -55.8 626 178 B V H X S+ 0 0 62 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.930 114.5 46.9 -55.4 -49.5 -24.8 34.4 -56.9 627 179 B R H X S+ 0 0 86 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.872 112.8 50.0 -62.7 -39.0 -24.1 35.1 -60.6 628 180 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.857 109.8 49.8 -68.1 -39.1 -20.9 32.9 -60.4 629 181 B L H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.934 111.0 50.7 -62.2 -46.7 -22.8 30.0 -58.9 630 182 B D H X S+ 0 0 72 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.922 110.3 49.5 -52.3 -50.1 -25.5 30.4 -61.6 631 183 B E H X S+ 0 0 60 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.895 110.8 48.6 -60.5 -44.6 -22.7 30.3 -64.3 632 184 B A H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.907 114.8 46.0 -61.5 -42.6 -21.1 27.2 -62.8 633 185 B M H >< S+ 0 0 48 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.887 113.0 50.2 -65.3 -39.9 -24.6 25.6 -62.7 634 186 B N H 3< S+ 0 0 117 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.772 97.1 69.6 -68.9 -28.3 -25.3 26.8 -66.3 635 187 B K T 3< 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.686 360.0 360.0 -61.1 -20.5 -22.0 25.3 -67.5 636 188 B L < 0 0 112 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.982 360.0 360.0 -70.8 360.0 -23.4 21.8 -67.0 637 ! 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 0.0 638 202 B K > 0 0 187 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.8 -16.5 34.1 -69.1 639 203 B R H > + 0 0 163 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.932 360.0 43.2 -61.2 -47.9 -15.7 37.8 -68.9 640 204 B Q H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 112.2 55.8 -64.6 -36.5 -18.5 38.4 -66.3 641 205 B F H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.964 109.4 44.7 -58.8 -54.8 -17.3 35.2 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0.906 111.3 51.2 -56.0 -44.3 -9.5 35.5 -36.6 672 236 B H H X S+ 0 0 73 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.895 111.4 47.7 -58.9 -40.7 -9.5 31.7 -35.9 673 237 B M H < S+ 0 0 0 -4,-2.2 12,-0.6 1,-0.2 -2,-0.2 0.780 109.1 52.3 -75.3 -30.4 -7.8 31.0 -39.3 674 238 B L H < S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.818 120.5 34.1 -71.0 -31.7 -5.1 33.8 -38.9 675 239 B N H < S+ 0 0 96 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.460 98.0 105.0-102.4 -7.5 -4.1 32.4 -35.5 676 240 B G < - 0 0 15 -4,-0.9 2,-0.4 -5,-0.1 9,-0.4 -0.469 46.4-167.3 -83.3 146.8 -4.7 28.7 -36.1 677 241 B K - 0 0 135 -2,-0.2 6,-0.1 7,-0.2 -3,-0.0 -1.000 28.2-117.0-131.0 134.4 -2.0 26.0 -36.7 678 242 B D > - 0 0 1 5,-3.1 4,-2.1 -2,-0.4 5,-0.1 -0.546 20.1-145.6 -63.8 121.6 -2.6 22.5 -37.9 679 243 B P T 4 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -133,-0.1 0.790 94.0 50.2 -61.9 -27.5 -1.5 20.2 -35.1 680 244 B E T 4 S+ 0 0 136 1,-0.1 -134,-0.0 -135,-0.1 -2,-0.0 0.986 126.0 19.3 -75.6 -62.2 -0.3 17.6 -37.7 681 245 B T T 4 S- 0 0 54 2,-0.2 -1,-0.1 1,-0.0 -135,-0.0 0.712 94.5-131.9 -78.7 -23.4 1.9 19.6 -40.1 682 246 B G < + 0 0 45 -4,-2.1 -1,-0.0 1,-0.3 -2,-0.0 0.456 65.3 128.8 79.2 4.4 2.4 22.5 -37.6 683 247 B E - 0 0 68 -5,-0.1 -5,-3.1 -6,-0.1 -1,-0.3 -0.627 53.2-137.2 -94.7 149.3 1.5 24.9 -40.4 684 248 B P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.439 37.2 -91.7 -85.7 170.3 -1.1 27.7 -40.5 685 249 B L - 0 0 7 -12,-0.6 2,-0.1 -9,-0.4 -9,-0.1 -0.685 43.7-123.4 -77.2 138.2 -3.3 28.3 -43.5 686 250 B D > - 0 0 86 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.374 26.8-102.1 -76.6 164.9 -1.9 30.8 -46.0 687 251 B D H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.782 119.2 53.5 -59.8 -32.6 -3.8 33.9 -47.0 688 252 B E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 111.3 44.2 -69.2 -46.6 -4.9 32.5 -50.4 689 253 B N H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.894 109.8 56.9 -65.4 -38.5 -6.5 29.4 -48.8 690 254 B I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.923 106.7 50.4 -55.2 -46.7 -8.0 31.5 -46.0 691 255 B R H X S+ 0 0 30 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 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-4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.890 111.6 53.0 -62.1 -41.5 -39.0 24.6 -46.2 712 276 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.915 111.4 44.8 -62.2 -43.9 -39.4 24.4 -42.4 713 277 B L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.902 112.1 53.9 -66.2 -41.0 -41.8 27.4 -42.4 714 278 B Y H X S+ 0 0 31 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.951 111.1 44.3 -54.1 -52.9 -43.6 26.0 -45.4 715 279 B F H X S+ 0 0 17 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.891 111.4 54.7 -65.8 -36.2 -44.2 22.7 -43.6 716 280 B L H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 7,-0.6 0.922 110.0 44.8 -61.5 -46.5 -45.2 24.5 -40.4 717 281 B V H 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 144,-0.2 0.794 113.3 51.3 -70.2 -25.3 -47.9 26.6 -42.2 718 282 B K H 3< S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.587 115.9 44.1 -82.9 -10.9 -49.1 23.5 -44.1 719 283 B N XX + 0 0 44 -4,-0.8 4,-1.9 -3,-0.7 3,-1.1 -0.616 68.4 177.4-133.2 72.0 -49.4 21.6 -40.7 720 284 B P H 3> S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.737 79.0 58.0 -54.4 -31.5 -51.0 24.0 -38.2 721 285 B H H 3> S+ 0 0 168 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.910 109.6 45.3 -63.6 -41.4 -51.0 21.4 -35.4 722 286 B V H <> S+ 0 0 16 -3,-1.1 4,-2.4 2,-0.2 5,-0.2 0.877 110.6 53.8 -66.5 -42.2 -47.2 21.1 -35.7 723 287 B L H X S+ 0 0 24 -4,-1.9 4,-3.3 -7,-0.6 5,-0.2 0.925 108.6 50.5 -57.6 -44.5 -46.8 25.0 -35.9 724 288 B Q H X S+ 0 0 117 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 47.6 -61.1 -45.8 -48.8 25.3 -32.6 725 289 B K H X S+ 0 0 86 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.899 115.8 45.2 -61.6 -43.3 -46.6 22.7 -30.8 726 290 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 113.8 48.6 -67.4 -44.4 -43.5 24.5 -32.1 727 291 B A H X S+ 0 0 18 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.857 108.7 55.2 -63.9 -35.9 -44.8 27.9 -31.2 728 292 B E H X S+ 0 0 100 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.924 109.1 46.5 -61.7 -45.3 -45.8 26.7 -27.8 729 293 B E H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.915 110.1 54.0 -61.0 -44.8 -42.2 25.5 -27.2 730 294 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.915 111.3 44.5 -56.5 -46.8 -40.8 28.8 -28.5 731 295 B A H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 114.9 49.8 -66.9 -35.8 -43.0 30.9 -26.0 732 296 B R H < S+ 0 0 163 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.876 121.5 30.6 -68.4 -40.4 -42.1 28.5 -23.1 733 297 B V H < S+ 0 0 25 -4,-2.4 2,-1.9 1,-0.2 3,-0.2 0.858 106.1 67.5 -93.2 -41.6 -38.3 28.5 -23.6 734 298 B L < + 0 0 4 -4,-2.4 -1,-0.2 -5,-0.3 -4,-0.0 -0.479 56.4 148.8 -86.5 70.6 -37.5 32.0 -25.1 735 299 B V + 0 0 102 -2,-1.9 -1,-0.2 -3,-0.2 -2,-0.1 0.528 48.2 77.3 -85.3 -7.3 -38.4 33.9 -21.9 736 300 B D S S- 0 0 74 -3,-0.2 4,-0.0 1,-0.1 -3,-0.0 -0.694 92.2-108.6-106.1 156.6 -35.9 36.7 -22.4 737 301 B P S S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.772 111.5 21.7 -50.9 -30.3 -36.0 39.8 -24.8 738 302 B V S S- 0 0 59 153,-0.2 -2,-0.1 -166,-0.0 2,-0.1 -0.993 97.6-102.5-138.2 140.4 -33.3 38.0 -26.8 739 303 B P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -171,-0.1 -0.353 29.8-141.2 -66.2 143.8 -32.4 34.3 -26.9 740 304 B S > - 0 0 42 1,-0.1 4,-1.2 -2,-0.1 -4,-0.0 -0.553 26.9-108.4 -90.2 164.5 -29.4 33.0 -25.0 741 305 B Y H > S+ 0 0 36 1,-0.2 4,-1.2 -2,-0.2 3,-0.4 0.915 119.0 53.1 -55.0 -46.6 -27.1 30.3 -26.3 742 306 B K H > S+ 0 0 161 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.863 103.6 56.7 -62.8 -38.7 -28.5 27.8 -23.7 743 307 B Q H >4 S+ 0 0 23 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.846 99.0 59.4 -62.3 -37.4 -32.1 28.4 -24.7 744 308 B V H >< S+ 0 0 4 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.2 0.930 103.7 51.1 -58.5 -45.7 -31.5 27.5 -28.4 745 309 B K H 3< S+ 0 0 98 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.726 105.0 59.8 -62.8 -21.5 -30.3 24.0 -27.4 746 310 B Q T << S+ 0 0 79 -4,-0.7 2,-1.9 -3,-0.6 3,-0.3 0.526 76.2 93.4 -87.6 -6.5 -33.6 23.7 -25.3 747 311 B L <> + 0 0 3 -3,-1.6 4,-2.0 -4,-0.5 -1,-0.2 -0.466 50.3 157.9 -80.5 66.1 -35.8 24.2 -28.4 748 312 B K H > + 0 0 128 -2,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.897 68.0 45.7 -60.7 -48.7 -36.0 20.4 -28.9 749 313 B Y H > S+ 0 0 15 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.896 110.4 54.2 -65.6 -41.7 -39.2 20.3 -30.9 750 314 B V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 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