==== 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 ELECTRON TRANSPORT 22-NOV-02 1N97 . COMPND 2 MOLECULE: CYP175A1; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.K.YANO,F.BLASCO,H.LI,R.D.SCHMID,A.HENNE,T.L.POULOS . 770 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 342 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 2 1 0 2 0 4 2 4 0 2 3 1 1 1 4 2 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 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 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 1 A M 0 0 54 0, 0.0 2,-0.4 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 139.6 8.4 26.5 18.8 2 2 A K E -a 34 0A 26 31,-1.7 33,-2.2 1,-0.1 2,-0.8 -0.547 360.0-158.5 -63.4 117.4 9.0 26.2 15.0 3 3 A R E -a 35 0A 149 -2,-0.4 33,-0.1 31,-0.2 -1,-0.1 -0.868 12.1-147.2-103.3 100.8 5.6 27.0 13.3 4 4 A L - 0 0 18 31,-2.1 5,-0.0 -2,-0.8 30,-0.0 -0.288 19.1-109.2 -67.2 154.6 5.6 25.4 9.9 5 5 A S > - 0 0 53 31,-0.1 4,-1.0 1,-0.1 -1,-0.1 -0.198 28.5-103.3 -74.3 171.7 3.8 27.1 7.1 6 6 A L H > S+ 0 0 126 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.888 124.1 49.9 -62.5 -41.8 0.6 25.8 5.5 7 7 A R H 4 S+ 0 0 79 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.808 108.7 52.3 -69.9 -31.4 2.6 24.6 2.5 8 8 A E H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.692 94.1 74.0 -76.1 -20.0 5.2 22.8 4.7 9 9 A A H X S+ 0 0 0 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.2 0.810 89.7 54.6 -65.1 -39.3 2.6 20.8 6.7 10 10 A W H X S+ 0 0 143 -4,-0.5 4,-2.1 -3,-0.4 -1,-0.2 0.966 110.3 44.1 -66.5 -52.4 1.7 18.4 3.9 11 11 A P H > S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -2,-0.2 0.865 113.1 51.8 -56.1 -41.0 5.2 17.1 3.3 12 12 A Y H X S+ 0 0 74 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.853 107.1 54.1 -70.8 -28.5 6.0 16.8 7.0 13 13 A L H X S+ 0 0 43 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.947 106.4 50.4 -66.8 -49.1 2.9 14.8 7.5 14 14 A K H X S+ 0 0 151 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.873 109.9 52.4 -52.7 -40.2 4.0 12.3 4.7 15 15 A D H X S+ 0 0 73 -4,-1.7 4,-1.9 2,-0.2 3,-0.4 0.952 110.0 48.4 -63.8 -42.2 7.4 12.1 6.6 16 16 A L H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 110.1 51.8 -62.2 -39.1 5.5 11.3 9.9 17 17 A Q H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 113.4 42.2 -69.9 -35.2 3.4 8.7 8.3 18 18 A Q H < S+ 0 0 137 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.832 135.5 6.2 -86.1 -35.8 6.3 6.7 6.7 19 19 A D X + 0 0 48 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 -0.533 67.9 171.8-149.3 69.6 8.8 6.7 9.5 20 20 A P H > S+ 0 0 26 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.881 77.1 45.3 -52.4 -46.1 7.3 8.2 12.6 21 21 A L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.971 115.8 44.8 -66.9 -48.7 10.2 7.4 15.1 22 22 A A H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 120.6 42.6 -59.6 -42.8 13.1 8.5 12.9 23 23 A V H X S+ 0 0 21 -4,-2.6 4,-2.8 -8,-0.2 -2,-0.2 0.967 114.1 48.0 -72.7 -49.2 11.1 11.6 12.0 24 24 A L H X S+ 0 0 5 -4,-3.0 4,-2.3 -5,-0.3 -2,-0.2 0.894 114.7 47.9 -55.4 -44.0 9.8 12.5 15.4 25 25 A L H X S+ 0 0 22 -4,-2.8 4,-2.2 -5,-0.3 5,-0.2 0.958 112.4 48.5 -62.1 -47.5 13.4 12.0 16.9 26 26 A A H X S+ 0 0 60 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.904 113.0 50.0 -57.4 -41.0 15.0 14.1 14.1 27 27 A W H >X S+ 0 0 29 -4,-2.8 4,-2.6 -5,-0.2 3,-0.7 0.975 111.7 44.9 -63.2 -54.7 12.4 16.8 14.7 28 28 A G H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.783 104.8 60.8 -65.6 -31.4 12.8 17.0 18.5 29 29 A R H 3< S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 118.5 32.6 -57.4 -37.0 16.7 17.0 18.4 30 30 A A H << S+ 0 0 49 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.806 132.2 24.3 -89.1 -34.9 16.3 20.2 16.4 31 31 A H < - 0 0 55 -4,-2.6 -1,-0.3 -5,-0.2 16,-0.1 -0.981 53.3-156.3-142.5 121.9 13.2 21.7 17.9 32 32 A P S S+ 0 0 71 0, 0.0 15,-2.6 0, 0.0 16,-0.9 0.742 90.7 22.9 -58.5 -29.5 11.6 21.1 21.4 33 33 A R E + B 0 46A 31 13,-0.2 -31,-1.7 14,-0.2 2,-0.3 -0.992 65.5 177.9-145.1 143.3 8.2 22.1 19.9 34 34 A L E -aB 2 45A 6 11,-1.9 11,-3.0 -2,-0.3 2,-0.5 -0.992 13.8-151.4-148.0 144.6 6.7 22.2 16.4 35 35 A F E -aB 3 44A 31 -33,-2.2 -31,-2.1 -2,-0.3 9,-0.2 -0.986 2.9-163.4-124.3 128.8 3.3 23.2 15.0 36 36 A L E - B 0 43A 0 7,-2.9 2,-2.4 -2,-0.5 7,-1.8 -0.896 8.3-155.8-111.6 100.9 1.8 21.7 11.8 37 37 A P + 0 0 25 0, 0.0 -28,-0.1 0, 0.0 3,-0.1 -0.191 25.1 172.5 -74.4 52.8 -1.1 23.9 10.5 38 38 A L > - 0 0 21 -2,-2.4 3,-1.1 3,-0.4 2,-0.2 -0.343 46.9 -93.8 -58.7 138.2 -2.9 21.0 8.6 39 39 A P T 3 S- 0 0 71 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.413 104.3 -8.2 -50.6 121.5 -6.2 22.2 7.3 40 40 A R T 3 S+ 0 0 223 -2,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.397 135.0 59.5 63.6 2.3 -8.9 21.2 9.8 41 41 A F < - 0 0 104 -3,-1.1 -3,-0.4 -5,-0.1 249,-0.1 -0.347 68.0-174.0-151.3 72.3 -6.5 19.1 12.0 42 42 A P - 0 0 31 0, 0.0 249,-2.4 0, 0.0 2,-0.4 -0.322 11.7-150.2 -61.1 143.2 -3.5 21.2 13.4 43 43 A L E -Bc 36 291A 20 -7,-1.8 -7,-2.9 247,-0.2 2,-0.6 -0.978 10.1-163.3-120.7 136.1 -0.8 19.2 15.3 44 44 A A E -Bc 35 292A 0 247,-2.8 249,-2.8 -2,-0.4 2,-0.6 -0.955 11.6-158.9-114.6 112.4 1.3 20.5 18.2 45 45 A L E -Bc 34 293A 1 -11,-3.0 -11,-1.9 -2,-0.6 2,-0.5 -0.868 11.5-172.9 -97.0 123.6 4.3 18.2 18.7 46 46 A I E +B 33 0A 0 247,-2.3 249,-0.4 -2,-0.6 -13,-0.2 -0.961 22.0 155.6-128.6 116.5 5.8 18.7 22.2 47 47 A F + 0 0 1 -15,-2.6 -14,-0.2 -2,-0.5 -1,-0.1 0.603 43.9 98.9-111.0 -24.9 9.0 17.0 23.3 48 48 A D S > S- 0 0 23 -16,-0.9 4,-2.4 1,-0.1 3,-0.3 -0.533 75.9-123.8 -75.6 139.0 10.4 19.2 26.2 49 49 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.782 109.5 51.7 -49.6 -42.7 9.6 17.9 29.7 50 50 A E H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.928 112.9 45.4 -63.3 -46.3 7.9 21.1 30.8 51 51 A G H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.888 110.5 54.6 -63.6 -40.4 5.6 21.1 27.8 52 52 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.954 110.9 44.5 -57.0 -51.2 4.9 17.4 28.3 53 53 A E H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.907 112.5 52.2 -63.9 -38.9 3.8 17.9 31.9 54 54 A G H X S+ 0 0 27 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.941 112.7 46.2 -61.2 -42.8 1.8 20.9 30.9 55 55 A A H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.912 119.0 38.3 -64.7 -50.0 0.0 18.8 28.1 56 56 A L H < S+ 0 0 12 -4,-2.7 277,-0.4 1,-0.2 278,-0.3 0.709 118.3 47.8 -77.4 -23.6 -0.7 15.8 30.3 57 57 A L H < S+ 0 0 97 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.592 86.3 111.8 -92.8 -11.2 -1.6 17.6 33.5 58 58 A A >< - 0 0 25 -4,-1.1 3,-0.6 -5,-0.2 2,-0.2 -0.396 63.4-132.0 -66.9 134.7 -4.0 20.2 31.7 59 59 A E T 3 S+ 0 0 175 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.474 81.4 38.7 -81.9 155.8 -7.7 19.9 32.5 60 60 A G T 3 S+ 0 0 26 1,-0.3 216,-0.5 -2,-0.2 -1,-0.2 0.630 81.3 131.0 86.4 13.6 -10.4 19.9 30.0 61 61 A T E < -D 275 0A 31 -3,-0.6 -1,-0.3 214,-0.1 2,-0.3 -0.519 35.7-162.3 -91.9 170.2 -8.6 17.7 27.3 62 62 A T E -D 274 0A 4 212,-2.0 212,-2.3 -2,-0.2 21,-0.1 -0.834 31.7-114.3-141.1 179.2 -10.0 14.7 25.6 63 63 A K + 0 0 8 -2,-0.3 2,-1.7 18,-0.2 210,-0.1 -0.156 66.7 128.0-108.1 36.5 -9.1 11.7 23.6 64 64 A A + 0 0 8 210,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.427 44.1 123.5 -93.2 65.8 -10.8 12.9 20.4 65 65 A T S > S- 0 0 0 -2,-1.7 4,-2.7 207,-0.1 5,-0.4 -0.748 80.1-105.6-125.5 165.7 -7.7 12.3 18.4 66 66 A F H > S+ 0 0 84 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.867 119.1 53.0 -55.3 -33.4 -6.8 10.3 15.3 67 67 A Q H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 116.6 33.2 -73.2 -53.7 -5.0 7.8 17.7 68 68 A Y H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.813 115.1 56.8 -78.0 -31.9 -7.8 7.0 20.1 69 69 A R H X S+ 0 0 122 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.927 108.9 47.9 -60.0 -43.2 -10.6 7.4 17.5 70 70 A A H >< S+ 0 0 0 -4,-1.6 3,-1.4 -5,-0.4 4,-0.3 0.947 112.0 50.3 -62.5 -43.3 -8.9 4.7 15.4 71 71 A L H >X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.3 3,-2.1 0.878 100.5 64.4 -61.2 -35.1 -8.6 2.6 18.6 72 72 A S H 3X S+ 0 0 43 -4,-2.4 4,-1.3 1,-0.3 -1,-0.3 0.594 86.8 70.9 -67.4 -17.0 -12.3 3.1 19.4 73 73 A R H << S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.693 113.2 28.5 -65.7 -20.7 -13.2 1.2 16.2 74 74 A L H <4 S+ 0 0 2 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.1 0.773 134.4 28.4-102.9 -46.8 -11.9 -1.9 18.1 75 75 A T H < S- 0 0 0 -4,-2.2 142,-0.2 1,-0.2 -3,-0.2 0.580 87.0-155.1 -93.4 -13.2 -12.5 -1.2 21.7 76 76 A G < - 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0 0 26 -4,-1.9 2,-1.0 -5,-0.3 -1,-0.3 -0.333 64.7 -15.6 60.5-149.2 23.3 33.0 0.5 463 77 B R S S+ 0 0 138 4,-0.1 2,-0.2 3,-0.1 137,-0.2 -0.698 93.4 131.5 -87.8 99.9 22.2 31.9 4.0 464 78 B G S >> S- 0 0 0 -2,-1.0 4,-2.1 135,-0.1 3,-0.7 -0.725 72.1 -66.1-137.0-162.4 25.2 32.4 6.3 465 79 B L T 34 S+ 0 0 18 1,-0.3 135,-0.1 -2,-0.2 12,-0.1 0.734 127.9 46.4 -68.4 -31.3 25.9 33.9 9.7 466 80 B L T 34 S+ 0 0 49 1,-0.1 -1,-0.3 -5,-0.1 -8,-0.1 0.797 123.3 30.7 -78.1 -31.5 25.2 37.5 8.7 467 81 B T T <4 S+ 0 0 5 -3,-0.7 -2,-0.2 -5,-0.2 -18,-0.1 0.575 103.9 85.1-103.8 -9.6 21.9 36.8 6.9 468 82 B D < + 0 0 2 -4,-2.1 2,-0.3 -20,-0.1 -5,-0.0 -0.284 48.7 178.4 -89.1 169.2 20.5 33.9 8.7 469 83 B W > + 0 0 79 -2,-0.1 4,-0.8 -21,-0.1 3,-0.5 -0.936 39.7 33.3-157.2 171.3 18.4 33.7 11.9 470 84 B G H > S- 0 0 40 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 -0.190 109.8 -22.0 79.0-157.3 16.7 31.2 14.1 471 85 B E H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.813 134.3 52.1 -65.4 -37.0 17.8 27.7 14.8 472 86 B S H > S+ 0 0 44 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.851 111.6 50.4 -65.9 -34.8 20.0 27.1 11.8 473 87 B W H X S+ 0 0 17 -4,-0.8 4,-3.5 -3,-0.3 5,-0.3 0.954 109.8 49.7 -60.6 -53.0 21.9 30.4 12.7 474 88 B K H X S+ 0 0 122 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.920 114.0 46.2 -57.2 -38.6 22.4 29.3 16.3 475 89 B E H X S+ 0 0 137 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.894 113.5 46.7 -69.0 -43.6 23.7 25.9 15.0 476 90 B A H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.927 112.8 51.3 -69.2 -41.1 26.0 27.5 12.4 477 91 B R H >X S+ 0 0 61 -4,-3.5 4,-1.2 1,-0.2 3,-0.7 0.955 109.0 50.3 -62.2 -46.7 27.3 30.0 15.0 478 92 B K H 3< S+ 0 0 151 -4,-2.2 3,-0.3 -5,-0.3 4,-0.3 0.912 113.0 46.3 -57.6 -40.0 28.0 27.3 17.5 479 93 B A H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.740 118.7 39.6 -72.3 -23.9 30.0 25.3 14.9 480 94 B L H << S+ 0 0 5 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.448 92.2 86.6-103.2 -6.0 32.1 28.2 13.5 481 95 B K >< + 0 0 69 -4,-1.2 3,-1.9 -3,-0.3 4,-0.4 0.676 63.7 83.7 -77.5 -22.1 32.9 30.2 16.7 482 96 B D G > S+ 0 0 85 -4,-0.3 3,-1.5 1,-0.3 6,-0.3 0.885 87.0 51.6 -55.1 -50.1 36.0 28.4 17.9 483 97 B P G 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.614 112.0 52.0 -63.1 -7.9 38.6 30.3 15.8 484 98 B F G < S+ 0 0 18 -3,-1.9 242,-0.2 -4,-0.1 -2,-0.2 0.352 82.7 107.7-106.2 -3.7 37.1 33.5 17.1 485 99 B L S X> S- 0 0 71 -3,-1.5 4,-2.7 -4,-0.4 3,-0.6 -0.449 84.5 -98.7 -72.0 161.3 37.1 32.9 20.8 486 100 B P H 3> S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.813 117.2 51.3 -49.7 -47.8 39.6 34.8 23.1 487 101 B K H 3> S+ 0 0 148 1,-0.2 4,-1.2 2,-0.2 -3,-0.0 0.932 115.1 41.4 -63.5 -40.5 42.2 32.1 23.4 488 102 B N H <> S+ 0 0 52 -3,-0.6 4,-0.7 -6,-0.3 3,-0.3 0.908 111.6 55.3 -75.6 -37.3 42.5 31.5 19.7 489 103 B V H >X S+ 0 0 7 -4,-2.7 3,-1.6 1,-0.2 4,-0.5 0.945 103.7 56.7 -60.2 -43.1 42.4 35.1 18.9 490 104 B R H >< S+ 0 0 168 -4,-2.4 3,-1.3 -5,-0.3 4,-0.3 0.892 100.1 58.3 -52.7 -38.3 45.3 35.7 21.2 491 105 B G H 3< S+ 0 0 59 -4,-1.2 4,-0.4 -3,-0.3 -1,-0.3 0.655 95.2 65.8 -72.6 -9.9 47.4 33.1 19.3 492 106 B Y H S+ 0 0 163 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.918 113.5 40.8 -50.3 -52.4 52.4 36.9 16.7 495 109 B A H > S+ 0 0 20 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.822 114.0 53.8 -73.8 -33.2 51.8 36.3 13.0 496 110 B M H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.929 109.6 49.8 -60.3 -43.0 49.6 39.5 12.7 497 111 B E H X S+ 0 0 68 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.7 45.1 -61.7 -41.7 52.5 41.4 14.1 498 112 B E H X S+ 0 0 94 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.901 113.3 49.4 -71.1 -41.1 55.0 39.9 11.8 499 113 B E H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 111.9 48.2 -63.7 -45.3 52.8 40.3 8.7 500 114 B A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.913 113.4 48.4 -65.0 -38.7 52.1 44.0 9.5 501 115 B R H X S+ 0 0 134 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.966 113.3 46.3 -63.4 -48.7 55.8 44.7 10.1 502 116 B A H X S+ 0 0 31 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.888 110.9 54.7 -59.7 -42.5 56.8 43.0 6.8 503 117 B F H >< S+ 0 0 10 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.923 115.4 35.8 -61.0 -51.6 54.1 44.8 4.9 504 118 B F H >< S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.670 104.3 73.4 -75.5 -17.9 55.1 48.3 5.9 505 119 B G H 3< S+ 0 0 20 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 91.5 58.1 -71.4 -23.7 58.8 47.4 5.8 506 120 B E T << S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.3 0.534 86.4 101.0 -73.9 -14.7 58.6 47.4 2.0 507 121 B W < + 0 0 5 -3,-1.4 -3,-0.0 -4,-0.1 5,-0.0 -0.560 44.5 178.5 -83.3 145.5 57.5 50.9 2.0 508 122 B R - 0 0 160 -2,-0.3 -1,-0.1 3,-0.0 3,-0.1 0.164 62.5 -77.1-128.5 9.5 60.0 53.7 1.1 509 123 B G S S+ 0 0 21 1,-0.3 3,-0.1 261,-0.1 -2,-0.1 0.454 84.2 136.4 103.4 -2.2 58.2 57.1 1.2 510 124 B E - 0 0 63 1,-0.1 -1,-0.3 258,-0.1 2,-0.2 -0.313 68.2 -86.7 -63.0 162.7 56.5 56.8 -2.1 511 125 B E - 0 0 116 257,-0.2 2,-0.3 -3,-0.1 257,-0.2 -0.529 50.4-169.8 -75.3 143.8 52.9 57.9 -2.2 512 126 B R E -P 767 0H 63 255,-3.2 255,-2.3 -2,-0.2 2,-0.9 -0.950 28.9-127.6-131.8 142.6 50.4 55.1 -1.3 513 127 B D E > -P 766 0H 56 -2,-0.3 4,-2.7 253,-0.3 5,-0.2 -0.856 24.5-165.1 -86.5 107.2 46.6 54.8 -1.5 514 128 B L H > S+ 0 0 0 251,-2.4 4,-2.3 -2,-0.9 5,-0.2 0.788 84.9 57.9 -70.0 -30.1 46.0 53.7 2.1 515 129 B D H > S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.953 112.5 39.6 -60.4 -51.8 42.4 52.6 1.2 516 130 B H H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.930 116.6 50.9 -64.4 -44.8 43.8 50.2 -1.4 517 131 B E H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.845 106.6 53.3 -67.7 -34.1 46.7 49.1 0.7 518 132 B M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.839 105.1 55.2 -75.1 -29.8 44.6 48.3 3.7 519 133 B L H X S+ 0 0 19 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.922 110.5 47.1 -57.3 -44.4 42.4 46.1 1.6 520 134 B A H X S+ 0 0 37 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.940 116.3 41.8 -62.6 -45.0 45.6 44.2 0.7 521 135 B L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.907 110.1 56.6 -73.7 -41.2 46.9 43.9 4.2 522 136 B S H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.925 108.0 49.7 -55.2 -41.2 43.4 43.1 5.8 523 137 B L H X S+ 0 0 9 -4,-1.6 4,-2.2 -5,-0.2 12,-1.2 0.929 110.4 50.9 -69.3 -33.0 43.2 40.1 3.4 524 138 B R H X S+ 0 0 106 -4,-1.7 4,-2.7 10,-0.2 5,-0.2 0.926 113.5 43.8 -65.8 -48.0 46.7 38.9 4.3 525 139 B L H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.890 113.9 48.4 -60.1 -47.0 45.9 39.1 8.0 526 140 B L H X S+ 0 0 8 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.921 117.0 44.0 -62.4 -46.3 42.5 37.4 7.8 527 141 B G H X>S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 6,-1.0 0.944 113.0 49.1 -64.7 -53.5 43.9 34.6 5.6 528 142 B R H X5S+ 0 0 112 -4,-2.7 4,-1.4 4,-0.2 -2,-0.2 0.966 117.7 41.9 -55.9 -49.1 47.1 34.0 7.6 529 143 B A H <5S+ 0 0 18 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.912 125.3 29.5 -62.6 -49.6 45.2 33.8 10.9 530 144 B L H <5S+ 0 0 35 -4,-2.1 -3,-0.2 -5,-0.2 -1,-0.2 0.786 137.1 20.9 -94.4 -19.3 42.1 31.8 10.0 531 145 B F H <5S- 0 0 70 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.454 98.9-111.4-127.7 -10.0 43.6 29.6 7.1 532 146 B G S <> - 0 0 42 1,-0.2 4,-1.8 43,-0.1 3,-0.5 -0.383 28.1-146.1 -54.4 121.4 43.5 34.8 -2.8 537 151 B P H 3> S+ 0 0 96 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.887 100.9 58.4 -57.9 -35.5 43.3 38.5 -4.0 538 152 B S H 3> S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.869 104.5 49.7 -59.8 -38.1 41.3 37.2 -7.0 539 153 B L H <> S+ 0 0 4 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.948 112.9 48.3 -66.9 -44.7 38.6 35.7 -4.6 540 154 B A H X S+ 0 0 3 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.910 110.1 50.2 -65.1 -40.5 38.5 39.0 -2.8 541 155 B E H X S+ 0 0 108 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.896 107.7 51.6 -66.7 -38.1 38.2 41.0 -5.9 542 156 B H H X S+ 0 0 36 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.933 112.3 49.9 -64.0 -42.1 35.3 38.9 -7.3 543 157 B A H X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.919 111.1 46.7 -58.2 -50.1 33.6 39.4 -3.9 544 158 B L H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.900 113.1 48.7 -63.3 -39.9 34.1 43.1 -3.9 545 159 B K H X S+ 0 0 86 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.866 111.9 49.4 -66.4 -37.6 32.9 43.6 -7.5 546 160 B A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.937 112.3 47.1 -68.5 -45.6 29.8 41.5 -6.9 547 161 B L H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.857 108.6 55.2 -65.0 -37.3 28.9 43.4 -3.7 548 162 B D H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.900 108.2 48.3 -63.6 -42.1 29.4 46.7 -5.4 549 163 B R H X S+ 0 0 65 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.928 111.9 49.7 -59.8 -46.1 27.0 45.7 -8.2 550 164 B I H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.931 111.7 49.1 -60.7 -43.5 24.4 44.6 -5.5 551 165 B M H X S+ 0 0 38 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.902 109.6 52.0 -61.3 -38.9 24.9 48.0 -3.6 552 166 B A H X S+ 0 0 51 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.817 110.4 47.9 -68.4 -32.4 24.4 49.9 -6.9 553 167 B Q H < S+ 0 0 43 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.827 109.5 51.9 -77.9 -34.4 21.2 48.1 -7.6 554 168 B T H < S+ 0 0 59 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.839 112.5 48.2 -67.6 -30.3 19.9 48.7 -4.1 555 169 B R H < S+ 0 0 75 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.551 126.3 25.8 -85.6 -15.6 20.6 52.4 -4.5 556 170 B S S >< S+ 0 0 65 -4,-0.5 3,-1.5 -3,-0.3 -1,-0.2 -0.429 72.3 163.0-146.4 67.8 18.9 52.6 -8.0 557 171 B P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.498 71.0 54.5 -71.6 -9.9 16.3 49.9 -7.9 558 172 B L T 3 S+ 0 0 163 2,-0.0 3,-0.1 3,-0.0 -5,-0.0 0.229 80.0 132.8-107.5 11.0 14.2 51.1 -10.9 559 173 B A < - 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0 0 93 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.319 45.6 -99.1 -64.5 159.5 27.6 20.7 4.6 594 208 B R H > S+ 0 0 149 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.761 117.4 46.4 -51.0 -48.8 29.0 21.9 1.4 595 209 B E H > S+ 0 0 164 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.911 118.5 43.1 -68.8 -44.4 26.4 24.5 0.3 596 210 B R H > S+ 0 0 39 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.861 111.8 54.4 -60.9 -43.9 26.3 26.1 3.8 597 211 B A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.914 107.8 49.4 -57.0 -38.4 30.1 25.9 4.1 598 212 B L H X S+ 0 0 12 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.917 111.2 49.6 -69.9 -44.1 30.5 27.8 0.9 599 213 B S H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 113.5 47.3 -58.5 -37.4 27.9 30.5 2.1 600 214 B E H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.862 110.0 51.6 -77.3 -33.7 29.9 30.8 5.4 601 215 B A H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.952 113.4 44.5 -65.0 -46.6 33.3 31.0 3.6 602 216 B V H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.913 113.5 52.6 -64.2 -38.2 31.9 33.9 1.4 603 217 B T H X S+ 0 0 4 -4,-2.5 4,-3.3 -142,-0.2 5,-0.2 0.879 106.4 51.9 -60.3 -49.9 30.3 35.4 4.7 604 218 B L H X S+ 0 0 31 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.934 112.3 46.7 -59.8 -37.4 33.6 35.3 6.5 605 219 B L H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 5,-0.4 0.939 115.7 44.0 -70.2 -45.0 35.3 37.2 3.6 606 220 B V H < S+ 0 0 20 -4,-2.8 5,-0.4 1,-0.2 4,-0.4 0.925 118.7 43.3 -64.6 -48.1 32.5 39.8 3.3 607 221 B A H < S+ 0 0 40 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.807 124.1 34.3 -68.3 -30.0 32.3 40.3 7.1 608 222 B G H X S+ 0 0 14 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.636 109.7 53.2-107.2 -21.0 36.0 40.4 7.7 609 223 B H H X S+ 0 0 7 -4,-2.1 4,-1.7 -5,-0.2 -3,-0.1 0.981 112.2 28.6 -85.4 -71.8 37.8 42.0 4.8 610 224 B E H > S+ 0 0 6 -5,-0.4 4,-2.7 -4,-0.4 5,-0.2 0.784 114.5 62.7 -66.2 -32.1 36.5 45.4 3.9 611 225 B T H > S+ 0 0 40 -5,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.951 108.6 39.9 -57.8 -54.2 35.3 46.2 7.4 612 226 B V H X S+ 0 0 8 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.891 114.8 53.0 -58.8 -40.6 38.8 46.1 8.9 613 227 B A H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.922 110.5 47.4 -68.0 -42.3 40.3 47.8 6.0 614 228 B S H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.937 110.7 51.4 -62.7 -47.6 37.8 50.7 6.2 615 229 B A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 112.6 46.3 -56.5 -44.8 38.3 51.1 9.9 616 230 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 109.9 53.7 -63.9 -44.5 42.1 51.3 9.4 617 231 B T H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 111.5 45.3 -56.1 -47.8 41.7 53.8 6.5 618 232 B W H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.863 108.9 56.3 -67.6 -34.5 39.6 56.1 8.6 619 233 B S H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.910 107.2 49.2 -60.2 -44.6 42.0 55.8 11.5 620 234 B F H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.940 111.6 49.9 -62.7 -45.2 44.9 56.9 9.3 621 235 B L H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 127,-0.4 0.948 115.4 41.6 -57.2 -51.0 42.9 59.9 8.1 622 236 B L H >< S+ 0 0 8 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.932 114.5 50.1 -68.4 -44.3 42.0 61.0 11.5 623 237 B L H >< S+ 0 0 0 -4,-3.0 3,-1.4 -5,-0.3 7,-0.3 0.744 96.4 72.2 -67.8 -20.7 45.4 60.4 13.0 624 238 B S H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.799 98.3 49.6 -61.9 -26.4 47.0 62.4 10.1 625 239 B H T << S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.490 107.8 58.4 -91.9 -0.9 45.5 65.5 11.8 626 240 B R X> + 0 0 48 -3,-1.4 4,-1.9 -4,-0.3 3,-0.6 -0.682 52.9 170.5-132.4 77.9 47.0 64.5 15.2 627 241 B P H 3> S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.823 81.3 61.4 -58.5 -30.2 50.8 64.2 15.3 628 242 B D H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.946 108.0 42.7 -62.5 -40.9 50.7 63.9 19.0 629 243 B W H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 -1,-0.2 0.735 104.0 64.5 -76.2 -29.2 48.5 60.8 18.8 630 244 B Q H X S+ 0 0 2 -4,-1.9 4,-2.0 -7,-0.3 -1,-0.2 0.949 107.5 44.5 -56.4 -40.5 50.6 59.4 16.0 631 245 B K H X S+ 0 0 101 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.941 112.3 50.2 -67.4 -44.1 53.4 59.3 18.5 632 246 B R H X S+ 0 0 102 -4,-1.7 4,-1.8 1,-0.2 7,-0.3 0.934 110.3 50.8 -60.7 -45.3 51.3 57.8 21.3 633 247 B V H < S+ 0 0 0 -4,-2.9 7,-0.3 6,-0.2 -1,-0.2 0.880 109.5 49.5 -60.1 -41.7 50.1 55.1 19.0 634 248 B A H < S+ 0 0 9 -4,-2.0 -1,-0.2 106,-0.2 -2,-0.2 0.897 119.0 40.9 -65.0 -33.6 53.6 54.1 17.9 635 249 B E H < S+ 0 0 120 -4,-2.3 2,-0.4 -5,-0.2 -2,-0.2 0.687 115.2 40.6 -90.4 -14.8 54.6 54.0 21.5 636 250 B S X - 0 0 46 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.1 -0.992 51.9-151.9-146.3 126.0 51.7 52.3 23.3 637 251 B E H > S+ 0 0 113 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.871 105.4 56.2 -55.2 -39.2 49.3 49.3 22.6 638 252 B E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 107.6 46.3 -64.0 -46.2 46.7 51.2 24.9 639 253 B A H > S+ 0 0 3 -7,-0.3 4,-2.7 2,-0.2 -6,-0.2 0.903 110.6 53.1 -63.3 -41.4 46.9 54.3 22.7 640 254 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 -8,-0.3 -2,-0.2 0.890 111.1 46.4 -66.3 -38.6 46.6 52.3 19.5 641 255 B L H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.897 111.2 51.8 -66.9 -40.2 43.5 50.6 20.7 642 256 B A H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.937 111.7 47.1 -62.8 -41.7 42.0 53.9 21.9 643 257 B A H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.914 112.5 48.6 -62.5 -47.0 42.6 55.5 18.5 644 258 B F H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.913 111.2 50.2 -65.4 -38.6 41.1 52.6 16.7 645 259 B Q H X S+ 0 0 15 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.890 111.1 49.0 -64.5 -33.6 38.1 52.6 18.9 646 260 B E H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.875 108.1 53.8 -77.9 -31.4 37.6 56.3 18.4 647 261 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.896 107.8 51.2 -63.7 -42.3 37.9 55.8 14.5 648 262 B L H < S+ 0 0 5 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.816 106.6 55.9 -64.0 -28.3 35.1 53.2 14.8 649 263 B R H < S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.935 116.8 33.7 -65.9 -43.8 33.0 55.8 16.7 650 264 B L H < S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.809 133.6 24.8 -86.8 -29.4 33.2 58.4 14.0 651 265 B Y S < S- 0 0 23 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.472 72.4-172.2-135.4 63.4 33.3 56.2 10.9 652 266 B P - 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