==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-FEB-03 1ODO . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450 154A1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR L.M.PODUST,Y.KIM,M.ARASE,H.BACH,D.H.SHERMAN,D.C.LAMB, . 395 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 0 1 0 4 0 2 0 0 1 1 1 0 1 0 0 0 0 0 2 0 0 0 0 0 0 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 . 2 4 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 7 A A 0 0 82 0, 0.0 2,-0.6 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 145.6 -30.3 -18.5 -13.2 2 8 A L E -a 27 0A 63 24,-2.1 26,-2.8 1,-0.0 2,-0.7 -0.697 360.0-134.7 -80.4 120.5 -30.6 -16.4 -10.0 3 9 A V E -a 28 0A 97 -2,-0.6 2,-0.3 24,-0.2 26,-0.1 -0.671 13.0-140.8 -83.0 115.7 -29.7 -12.9 -10.9 4 10 A L - 0 0 4 24,-2.2 26,-0.4 -2,-0.7 379,-0.1 -0.585 27.1-107.6 -76.9 131.9 -27.3 -11.3 -8.3 5 11 A D > - 0 0 58 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 -0.434 21.6-155.2 -62.3 112.4 -28.1 -7.7 -7.5 6 12 A P T 3 S+ 0 0 42 0, 0.0 377,-0.4 0, 0.0 165,-0.3 0.700 93.4 56.4 -62.6 -20.0 -25.4 -5.4 -9.2 7 13 A T T 3 S- 0 0 61 375,-0.2 375,-0.6 376,-0.1 165,-0.1 0.522 97.7-138.0 -90.0 -6.6 -26.1 -2.7 -6.6 8 14 A G X + 0 0 2 -3,-1.6 3,-0.5 373,-0.3 374,-0.1 0.820 44.0 158.6 52.2 36.6 -25.4 -5.0 -3.6 9 15 A A T 3 S+ 0 0 63 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.719 70.2 13.4 -62.5 -27.3 -28.5 -3.5 -1.8 10 16 A D T 3> + 0 0 82 -5,-0.1 4,-1.9 1,-0.1 3,-0.3 -0.476 62.2 165.7-153.6 76.4 -29.1 -6.4 0.6 11 17 A H H <> S+ 0 0 18 -3,-0.5 4,-2.2 1,-0.2 5,-0.1 0.767 76.3 62.3 -64.9 -27.2 -26.2 -8.9 0.9 12 18 A H H > S+ 0 0 70 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.923 108.4 41.6 -65.7 -43.7 -27.6 -10.5 4.1 13 19 A T H > S+ 0 0 70 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.900 111.5 58.0 -68.7 -37.6 -30.8 -11.6 2.3 14 20 A E H X S+ 0 0 20 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.891 100.6 56.5 -58.3 -40.4 -28.6 -12.6 -0.7 15 21 A H H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.942 110.8 43.7 -56.4 -48.8 -26.6 -14.9 1.6 16 22 A R H X S+ 0 0 122 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.914 112.2 51.9 -63.4 -44.8 -29.8 -16.7 2.6 17 23 A T H < S+ 0 0 52 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.908 112.9 45.5 -60.2 -43.0 -31.2 -16.8 -1.0 18 24 A L H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.945 112.2 49.2 -67.3 -47.5 -28.0 -18.3 -2.3 19 25 A R H >< S+ 0 0 45 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.707 96.1 74.5 -65.6 -16.5 -27.6 -20.9 0.5 20 26 A E T 3< S+ 0 0 160 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.752 89.2 61.0 -66.3 -22.9 -31.2 -21.9 -0.2 21 27 A G T < S- 0 0 36 -3,-1.8 3,-0.5 -4,-0.4 -1,-0.3 0.370 112.1-117.7 -87.2 7.0 -30.0 -23.6 -3.3 22 28 A G < - 0 0 32 -3,-1.6 -1,-0.3 1,-0.2 16,-0.2 -0.561 68.0 -22.4 91.8-159.3 -27.8 -26.0 -1.5 23 29 A P S S+ 0 0 33 0, 0.0 15,-2.0 0, 0.0 16,-1.1 0.810 133.2 16.9 -58.2 -32.3 -24.0 -26.2 -1.9 24 30 A A E - B 0 37A 2 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.992 62.1-169.5-144.9 150.8 -24.1 -24.5 -5.3 25 31 A T E - B 0 36A 25 11,-2.4 11,-3.5 -2,-0.3 2,-0.6 -1.000 28.8-119.8-142.3 139.2 -26.5 -22.5 -7.4 26 32 A W E + B 0 35A 79 -2,-0.3 -24,-2.1 9,-0.2 2,-0.2 -0.674 47.9 173.1 -77.8 119.0 -26.5 -21.4 -11.1 27 33 A V E -aB 2 34A 0 7,-3.3 7,-2.3 -2,-0.6 2,-0.5 -0.777 33.5-120.7-126.3 172.0 -26.5 -17.6 -11.0 28 34 A D E -aB 3 33A 28 -26,-2.8 -24,-2.2 -2,-0.2 2,-0.7 -0.964 18.8-170.2-116.5 124.0 -26.2 -14.6 -13.3 29 35 A V E > S- B 0 32A 5 3,-3.3 3,-1.6 -2,-0.5 43,-0.2 -0.877 76.4 -42.6-116.6 94.7 -23.4 -12.1 -12.7 30 36 A L T 3 S- 0 0 29 -2,-0.7 42,-0.2 -26,-0.4 -1,-0.1 0.867 126.1 -35.8 52.3 42.8 -24.0 -9.1 -14.9 31 37 A G T 3 S+ 0 0 49 1,-0.2 2,-0.5 39,-0.1 -1,-0.3 0.289 118.9 103.8 98.9 -13.2 -25.0 -11.3 -17.9 32 38 A V E < -B 29 0A 12 -3,-1.6 -3,-3.3 2,-0.0 2,-0.4 -0.919 61.8-143.3-107.2 126.1 -22.6 -14.1 -17.3 33 39 A Q E +B 28 0A 78 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.716 32.4 153.7 -90.0 136.1 -24.0 -17.3 -15.8 34 40 A A E -B 27 0A 0 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.8 -0.970 49.1 -91.5-153.9 167.3 -21.9 -19.3 -13.3 35 41 A W E -Bc 26 305A 16 269,-2.5 271,-3.1 -2,-0.3 2,-0.5 -0.755 34.8-154.6 -87.5 110.6 -22.0 -21.7 -10.4 36 42 A S E -Bc 25 306A 0 -11,-3.5 -11,-2.4 -2,-0.8 2,-0.5 -0.758 13.1-162.6 -83.8 127.6 -22.0 -19.7 -7.2 37 43 A V E +Bc 24 307A 0 269,-2.4 271,-2.2 -2,-0.5 -13,-0.2 -0.964 26.2 159.0-116.6 124.3 -20.6 -22.0 -4.5 38 44 A S + 0 0 2 -15,-2.0 -14,-0.1 -2,-0.5 277,-0.1 0.312 43.5 104.2-124.4 6.8 -21.2 -21.2 -0.9 39 45 A D > - 0 0 32 -16,-1.1 4,-3.2 1,-0.2 5,-0.2 -0.831 61.6-152.7 -89.4 110.9 -20.5 -24.6 0.8 40 46 A P H > S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.809 91.4 54.7 -56.6 -33.0 -17.1 -24.0 2.4 41 47 A V H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.970 114.6 39.6 -65.4 -51.1 -16.1 -27.7 2.2 42 48 A L H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 114.5 54.4 -63.6 -42.9 -16.9 -27.9 -1.5 43 49 A L H X S+ 0 0 1 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.938 107.1 49.9 -58.8 -46.6 -15.3 -24.5 -2.1 44 50 A K H < S+ 0 0 54 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.852 110.9 50.5 -61.4 -34.1 -12.0 -25.5 -0.4 45 51 A Q H >< S+ 0 0 115 -4,-1.6 3,-1.1 2,-0.2 4,-0.4 0.932 112.5 45.7 -69.5 -44.3 -11.9 -28.7 -2.6 46 52 A L H >< S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.896 109.5 56.1 -64.5 -39.2 -12.5 -26.6 -5.8 47 53 A L T 3< S+ 0 0 11 -4,-2.8 294,-0.4 1,-0.2 295,-0.3 0.493 114.6 38.5 -71.6 -4.7 -9.9 -24.1 -4.7 48 54 A T T < S+ 0 0 89 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.281 93.5 108.8-126.5 6.5 -7.2 -26.8 -4.4 49 55 A S X - 0 0 43 -3,-0.9 3,-1.3 -4,-0.4 -3,-0.0 -0.652 64.9-141.7 -91.2 143.7 -8.1 -28.9 -7.3 50 56 A S T 3 S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.678 101.1 67.7 -72.3 -16.3 -6.1 -29.2 -10.5 51 57 A D T 3 S+ 0 0 70 237,-0.1 237,-3.3 236,-0.1 238,-0.8 0.347 90.2 71.2 -86.0 6.3 -9.4 -29.4 -12.3 52 58 A V E < -D 287 0A 11 -3,-1.3 2,-0.3 235,-0.2 235,-0.2 -0.974 63.9-178.4-124.3 138.1 -10.3 -25.7 -11.5 53 59 A S E -D 286 0A 3 233,-2.5 233,-2.8 -2,-0.4 32,-0.1 -0.954 36.7-156.9-139.7 158.0 -8.7 -22.7 -13.0 54 60 A K S S+ 0 0 6 30,-0.3 2,-1.2 -2,-0.3 3,-0.2 0.319 71.4 104.4-107.7 0.4 -8.6 -18.9 -13.0 55 61 A D > + 0 0 29 1,-0.2 4,-3.0 231,-0.1 5,-0.2 -0.708 42.9 175.1 -89.0 92.1 -7.0 -18.8 -16.5 56 62 A A H > S+ 0 0 1 -2,-1.2 4,-2.6 20,-0.3 7,-0.3 0.885 76.1 60.1 -62.4 -42.9 -10.0 -17.8 -18.8 57 63 A R H 4 S+ 0 0 119 19,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.900 118.6 29.3 -53.8 -42.7 -7.8 -17.6 -21.9 58 64 A A H 4 S+ 0 0 62 -3,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.831 134.7 25.8 -90.1 -33.3 -6.9 -21.2 -21.5 59 65 A H H < S+ 0 0 47 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.400 101.2 75.9-116.0 5.7 -9.9 -22.7 -19.8 60 66 A W >< - 0 0 14 -4,-2.6 3,-2.0 -5,-0.2 4,-0.3 -0.872 52.7-168.8-121.0 98.9 -13.0 -20.6 -20.6 61 67 A P T 3 S+ 0 0 102 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.796 88.3 54.9 -53.0 -32.9 -14.3 -21.2 -24.2 62 68 A A T >> S+ 0 0 27 240,-0.3 4,-2.8 1,-0.2 3,-0.9 0.538 78.9 98.3 -81.4 -6.2 -16.7 -18.3 -23.9 63 69 A F H <> S+ 0 0 28 -3,-2.0 4,-2.9 -7,-0.3 5,-0.2 0.902 78.3 54.3 -46.1 -54.9 -13.9 -15.8 -23.0 64 70 A G H 34 S+ 0 0 59 -3,-0.4 4,-0.3 -4,-0.3 -1,-0.3 0.815 115.6 39.3 -51.5 -36.1 -13.4 -14.5 -26.6 65 71 A E H X4 S+ 0 0 148 -3,-0.9 3,-0.6 -4,-0.2 4,-0.4 0.885 117.3 48.4 -82.0 -42.5 -17.1 -13.6 -26.8 66 72 A V H >X S+ 0 0 20 -4,-2.8 4,-2.9 1,-0.2 3,-1.3 0.843 94.2 72.8 -67.2 -38.4 -17.5 -12.3 -23.2 67 73 A V T 3< S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.743 100.1 45.8 -51.9 -28.5 -14.5 -10.0 -23.1 68 74 A G T <4 S+ 0 0 47 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.642 124.1 28.6 -93.0 -13.3 -16.1 -7.5 -25.4 69 75 A T T <4 S+ 0 0 102 -3,-1.3 106,-0.2 -4,-0.4 -2,-0.2 0.669 92.9 94.5-118.2 -24.1 -19.6 -7.3 -23.7 70 76 A W >< - 0 0 5 -4,-2.9 3,-1.8 1,-0.1 4,-0.2 -0.587 60.8-148.6 -77.6 125.2 -19.2 -8.1 -20.0 71 77 A P T 3 S+ 0 0 34 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.726 99.7 54.0 -62.4 -21.4 -18.8 -5.1 -17.7 72 78 A L T > S+ 0 0 8 -42,-0.2 3,-1.7 1,-0.2 4,-0.5 0.198 70.8 120.2 -98.8 16.8 -16.6 -7.2 -15.4 73 79 A A T X> + 0 0 14 -3,-1.8 4,-1.9 1,-0.3 3,-1.7 0.816 63.7 65.8 -48.6 -39.9 -14.2 -8.2 -18.2 74 80 A L H 3> S+ 0 0 23 -3,-0.3 4,-1.1 1,-0.3 -1,-0.3 0.816 91.6 63.9 -56.0 -31.7 -11.1 -6.7 -16.5 75 81 A W H <4 S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.753 119.6 22.6 -65.5 -23.4 -11.4 -9.2 -13.7 76 82 A V H <4 S+ 0 0 3 -3,-1.7 -20,-0.3 -4,-0.5 -19,-0.3 0.476 116.5 63.5-120.8 -6.6 -10.7 -12.1 -16.1 77 83 A A H < S+ 0 0 27 -4,-1.9 -3,-0.2 -21,-0.1 -2,-0.1 0.651 76.3 100.7 -94.1 -17.6 -8.9 -10.3 -18.9 78 84 A V < - 0 0 4 -4,-1.1 2,-0.6 -5,-0.2 143,-0.1 -0.212 69.4-133.0 -64.8 160.7 -5.8 -9.1 -17.1 79 85 A E + 0 0 68 141,-0.3 2,-0.2 3,-0.0 145,-0.2 -0.804 64.1 96.2-119.0 84.7 -2.5 -11.1 -17.4 80 86 A N S > S- 0 0 2 -2,-0.6 3,-1.7 144,-0.1 13,-0.1 -0.822 93.4 -69.1-150.8-171.1 -1.2 -11.5 -13.9 81 87 A M G > S+ 0 0 12 11,-0.3 3,-1.3 1,-0.3 12,-0.1 0.808 122.8 69.4 -60.4 -28.5 -1.2 -14.0 -11.0 82 88 A F G 3 S+ 0 0 41 1,-0.3 -1,-0.3 10,-0.1 7,-0.0 0.691 112.0 29.7 -62.7 -21.0 -4.9 -13.4 -10.5 83 89 A T G < S+ 0 0 8 -3,-1.7 -1,-0.3 -28,-0.1 2,-0.3 0.087 99.8 111.0-126.5 21.7 -5.7 -15.1 -13.8 84 90 A A < - 0 0 1 -3,-1.3 2,-0.3 -29,-0.1 -30,-0.3 -0.678 50.0-151.0-100.3 154.3 -2.8 -17.6 -14.0 85 91 A Y >> - 0 0 68 -2,-0.3 3,-1.2 -31,-0.1 4,-0.6 -0.949 49.7 -34.2-126.0 144.8 -2.9 -21.4 -13.6 86 92 A G H >> S+ 0 0 36 -2,-0.3 4,-2.2 1,-0.2 3,-1.2 -0.115 125.4 2.1 49.8-137.8 -0.4 -23.9 -12.3 87 93 A P H 3> S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.821 132.8 56.7 -48.8 -37.1 3.4 -23.2 -12.9 88 94 A N H <> S+ 0 0 63 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.870 108.2 47.8 -65.7 -34.8 2.6 -19.9 -14.6 89 95 A H H X S+ 0 0 54 -4,-2.1 4,-2.8 2,-0.2 3,-1.2 0.881 105.2 59.1 -86.3 -41.9 3.1 -14.8 -7.7 94 100 A R H 3< S+ 0 0 58 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.1 0.784 97.0 64.3 -56.7 -29.2 6.6 -15.6 -6.6 95 101 A L T 3< S+ 0 0 54 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.856 116.5 25.9 -64.5 -35.2 7.7 -12.3 -8.3 96 102 A V T X4 S+ 0 0 0 -3,-1.2 3,-1.7 -4,-0.4 4,-0.3 0.750 100.3 86.5 -98.8 -30.1 5.7 -10.3 -5.8 97 103 A A G >< S+ 0 0 30 -4,-2.8 3,-3.1 1,-0.3 4,-0.2 0.799 76.1 68.9 -39.3 -48.5 5.5 -12.6 -2.8 98 104 A P G > S+ 0 0 68 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.827 93.4 58.2 -45.1 -40.1 8.9 -11.4 -1.3 99 105 A A G < S+ 0 0 13 -3,-1.7 -2,-0.2 1,-0.3 105,-0.1 0.591 110.9 43.6 -69.6 -9.1 7.4 -8.0 -0.4 100 106 A F G < S+ 0 0 16 -3,-3.1 -1,-0.3 -4,-0.3 -3,-0.1 0.130 82.0 130.6-122.5 20.5 4.7 -9.7 1.7 101 107 A S S <> S- 0 0 48 -3,-1.4 4,-2.5 -4,-0.2 5,-0.2 -0.204 72.8-105.9 -68.1 166.8 6.7 -12.3 3.6 102 108 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 122.3 48.4 -60.3 -45.3 6.3 -12.6 7.3 103 109 A R H > S+ 0 0 215 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 111.8 49.1 -63.2 -41.7 9.7 -11.0 7.9 104 110 A R H > S+ 0 0 129 -6,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.911 111.4 47.9 -66.3 -43.1 8.9 -8.1 5.5 105 111 A V H >X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.924 112.3 49.6 -64.3 -42.3 5.5 -7.4 7.0 106 112 A D H >< S+ 0 0 102 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.909 108.4 54.0 -61.7 -40.1 7.1 -7.4 10.5 107 113 A A H 3< S+ 0 0 72 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.740 106.0 54.1 -65.5 -23.5 9.8 -5.0 9.3 108 114 A M H S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.915 113.3 46.1 -56.1 -44.4 7.1 0.7 12.6 111 117 A A H > S+ 0 0 33 -4,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.924 114.9 46.4 -64.8 -44.8 6.3 2.5 9.3 112 118 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.916 110.4 52.8 -65.3 -41.8 2.6 1.4 9.3 113 119 A E H X S+ 0 0 79 -4,-3.2 4,-2.9 -5,-0.3 -1,-0.2 0.910 108.6 51.6 -59.5 -40.7 2.2 2.3 13.0 114 120 A A H X S+ 0 0 63 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.913 109.6 48.9 -61.6 -44.2 3.6 5.8 12.2 115 121 A M H X S+ 0 0 38 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.911 112.5 48.6 -62.1 -43.0 1.1 6.2 9.4 116 122 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.934 111.3 49.0 -63.1 -46.6 -1.7 5.1 11.7 117 123 A T H X S+ 0 0 57 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.903 109.6 53.4 -60.7 -40.8 -0.7 7.5 14.4 118 124 A G H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.921 111.2 44.5 -60.5 -45.9 -0.5 10.3 11.9 119 125 A L H X S+ 0 0 13 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.862 115.5 47.7 -67.8 -36.2 -4.0 9.8 10.7 120 126 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.899 108.8 54.0 -72.4 -38.3 -5.4 9.4 14.2 121 127 A D H X S+ 0 0 67 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.915 106.3 53.7 -59.8 -42.1 -3.5 12.5 15.4 122 128 A R H >X S+ 0 0 110 -4,-1.9 3,-1.1 1,-0.2 4,-0.7 0.883 104.4 54.3 -58.9 -40.7 -5.2 14.4 12.5 123 129 A L H >< S+ 0 0 2 -4,-1.4 3,-1.1 1,-0.3 -1,-0.2 0.890 102.5 58.4 -60.5 -39.5 -8.6 13.2 13.7 124 130 A A H 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.674 102.7 53.9 -64.3 -18.8 -7.8 14.6 17.2 125 131 A E H << S+ 0 0 155 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.623 84.7 108.1 -90.7 -15.9 -7.3 18.1 15.6 126 132 A L S << S- 0 0 49 -3,-1.1 6,-0.0 -4,-0.7 2,-0.0 -0.234 90.1 -79.9 -61.0 150.7 -10.8 18.0 13.9 127 133 A P > - 0 0 99 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.304 52.0-119.8 -54.5 125.7 -13.4 20.4 15.4 128 134 A A T 3 S+ 0 0 80 1,-0.2 -4,-0.0 -3,-0.1 266,-0.0 -0.380 93.7 26.5 -68.6 146.3 -14.9 18.7 18.5 129 135 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 267,-0.1 265,-0.0 0.238 95.9 108.9 87.5 -15.0 -18.6 18.1 18.5 130 136 A E S < S- 0 0 46 -3,-1.2 265,-0.4 1,-0.1 -1,-0.2 -0.794 75.1-107.2 -99.2 138.1 -18.8 17.8 14.7 131 137 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 263,-0.2 -0.257 30.3-155.1 -61.7 147.0 -19.4 14.5 12.9 132 138 A V E -F 393 0B 12 261,-3.0 261,-2.6 259,-0.1 2,-1.4 -0.990 16.3-133.4-127.3 130.2 -16.5 12.8 11.1 133 139 A D E >> -F 392 0B 29 -2,-0.4 4,-2.3 259,-0.2 3,-0.6 -0.701 21.2-168.8 -84.5 96.6 -16.8 10.4 8.2 134 140 A L H 3>>S+ 0 0 2 257,-2.3 5,-2.2 -2,-1.4 4,-1.8 0.756 80.9 63.8 -56.8 -28.1 -14.3 7.8 9.4 135 141 A R H 34>S+ 0 0 3 3,-0.2 5,-2.5 1,-0.2 -1,-0.2 0.941 112.4 34.2 -64.0 -44.7 -14.4 6.0 6.0 136 142 A Q H <45S+ 0 0 71 -3,-0.6 -2,-0.2 3,-0.2 -1,-0.2 0.821 123.1 44.6 -79.9 -32.5 -12.9 9.1 4.3 137 143 A E H <5S- 0 0 68 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.617 136.5 -3.3 -89.3 -12.8 -10.6 10.2 7.2 138 144 A L T X5S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -3,-0.2 0.509 123.2 56.9-140.4 -56.9 -9.1 6.9 8.2 139 145 A A T 4 S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.825 103.3 61.0 -63.4 -33.2 -6.2 7.0 3.5 142 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.969 105.9 43.5 -60.2 -56.2 -4.4 4.4 5.6 143 149 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.848 114.1 53.6 -58.3 -33.4 -4.3 1.5 3.0 144 150 A I H X S+ 0 0 20 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.911 108.5 48.3 -67.6 -41.9 -3.3 4.1 0.4 145 151 A A H X S+ 0 0 26 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.893 114.2 47.5 -65.4 -39.6 -0.4 5.3 2.5 146 152 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.948 115.1 42.4 -67.7 -50.3 0.8 1.8 3.1 147 153 A I H X S+ 0 0 9 -4,-2.7 4,-3.2 86,-0.3 5,-0.3 0.859 112.2 56.2 -66.2 -33.2 0.5 0.6 -0.5 148 154 A G H X>S+ 0 0 0 -4,-2.2 5,-1.9 -5,-0.2 4,-1.3 0.903 110.9 43.9 -64.3 -40.3 2.1 3.9 -1.7 149 155 A H H <5S+ 0 0 98 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.923 118.1 44.0 -69.6 -45.3 5.1 3.3 0.5 150 156 A L H <5S+ 0 0 16 -4,-2.5 54,-1.8 1,-0.2 55,-0.2 0.918 122.8 35.5 -67.4 -46.2 5.4 -0.4 -0.5 151 157 A M H <5S- 0 0 0 -4,-3.2 54,-1.1 52,-0.2 55,-0.3 0.659 108.1-122.6 -83.0 -16.4 4.9 0.1 -4.2 152 158 A G T <5 + 0 0 13 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.908 41.3 177.7 76.6 43.2 6.7 3.4 -4.3 153 159 A V < - 0 0 2 -5,-1.9 -1,-0.2 -6,-0.2 5,-0.1 -0.700 33.4-116.4 -82.8 119.3 3.9 5.5 -5.7 154 160 A P >> - 0 0 36 0, 0.0 3,-2.2 0, 0.0 4,-0.6 -0.242 21.0-120.8 -54.7 140.8 5.0 9.2 -5.9 155 161 A Q H >> S+ 0 0 132 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.889 111.5 57.1 -49.1 -47.6 2.9 11.4 -3.7 156 162 A D H 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.450 109.5 46.8 -67.5 0.5 1.8 13.5 -6.7 157 163 A R H <4 S+ 0 0 69 -3,-2.2 4,-0.4 2,-0.1 -1,-0.2 0.423 88.3 85.7-120.1 -2.7 0.3 10.4 -8.3 158 164 A R H XX S+ 0 0 38 -3,-1.4 3,-1.0 -4,-0.6 4,-0.6 0.885 85.2 52.2 -68.7 -41.6 -1.5 8.8 -5.4 159 165 A D H >X S+ 0 0 111 -4,-0.5 3,-1.0 1,-0.2 4,-0.5 0.865 96.6 71.0 -64.3 -35.1 -4.9 10.7 -5.7 160 166 A G H 34 S+ 0 0 41 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.716 95.3 51.5 -54.1 -26.7 -5.2 9.8 -9.4 161 167 A F H <> S+ 0 0 2 -3,-1.0 4,-2.9 -4,-0.4 5,-0.3 0.751 89.3 83.2 -84.6 -24.5 -5.9 6.1 -8.7 162 168 A R H S+ 0 0 21 -4,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.882 107.8 47.1 -72.9 -40.8 -10.4 4.6 -10.9 165 171 A V H X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.875 109.9 56.0 -69.0 -33.3 -9.9 1.8 -8.4 166 172 A D H >X S+ 0 0 64 -4,-1.7 3,-0.9 -5,-0.3 4,-0.7 0.920 103.7 54.9 -61.8 -42.1 -13.4 2.6 -7.1 167 173 A G H >< S+ 0 0 9 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.838 96.8 64.0 -60.2 -34.3 -14.6 2.1 -10.6 168 174 A V H 3< S+ 0 0 19 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 110.6 38.1 -59.6 -33.0 -13.1 -1.4 -10.8 169 175 A F H << S+ 0 0 16 -4,-0.9 2,-1.4 -3,-0.9 216,-0.4 0.460 88.1 107.3 -96.9 -2.7 -15.5 -2.5 -8.0 170 176 A D X< + 0 0 40 -3,-0.8 3,-1.2 -4,-0.7 212,-0.2 -0.620 43.0 178.9 -79.4 93.9 -18.5 -0.5 -9.2 171 177 A T T 3 S+ 0 0 2 -2,-1.4 -1,-0.2 210,-0.4 211,-0.1 0.326 70.2 73.3 -79.2 9.8 -20.7 -3.3 -10.6 172 178 A T T 3 S+ 0 0 67 209,-0.4 -1,-0.2 -165,-0.1 2,-0.2 0.522 74.1 103.3 -97.4 -8.8 -23.4 -0.8 -11.6 173 179 A L < - 0 0 33 -3,-1.2 2,-0.1 -6,-0.2 0, 0.0 -0.475 69.5-130.1 -75.0 143.6 -21.4 0.5 -14.5 174 180 A D > - 0 0 81 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.331 36.0 -88.9 -85.1 175.7 -22.4 -0.7 -18.0 175 181 A Q H > S+ 0 0 56 1,-0.2 4,-2.5 -106,-0.2 5,-0.2 0.886 127.3 48.1 -50.8 -47.0 -19.9 -2.1 -20.5 176 182 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 113.8 46.0 -62.4 -46.1 -19.1 1.3 -22.0 177 183 A E H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.872 114.1 48.5 -65.3 -38.7 -18.6 3.0 -18.6 178 184 A A H X S+ 0 0 15 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.922 110.5 51.6 -66.8 -44.2 -16.4 0.1 -17.3 179 185 A Q H X S+ 0 0 119 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.879 110.3 49.0 -59.9 -39.9 -14.3 0.2 -20.5 180 186 A A H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.917 111.2 48.9 -67.9 -43.1 -13.8 3.9 -20.0 181 187 A N H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 111.4 50.2 -62.5 -42.7 -12.7 3.5 -16.4 182 188 A T H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.921 109.3 50.8 -62.2 -43.6 -10.4 0.7 -17.4 183 189 A A H X S+ 0 0 59 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.909 110.3 49.4 -61.1 -42.5 -8.8 2.8 -20.1 184 190 A R H X S+ 0 0 139 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.871 110.2 52.1 -64.4 -36.7 -8.3 5.7 -17.7 185 191 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.918 108.0 49.1 -66.9 -44.6 -6.7 3.3 -15.2 186 192 A Y H X S+ 0 0 38 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.847 108.4 57.8 -64.1 -31.0 -4.2 1.9 -17.7 187 193 A E H X S+ 0 0 116 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.956 109.2 40.9 -64.5 -51.3 -3.3 5.5 -18.6 188 194 A V H X S+ 0 0 27 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.796 114.8 54.8 -68.3 -25.2 -2.3 6.5 -15.0 189 195 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.926 107.0 48.6 -72.3 -44.4 -0.6 3.1 -14.7 190 196 A D H X S+ 0 0 70 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.874 111.1 51.9 -61.9 -35.8 1.5 3.7 -17.8 191 197 A Q H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.878 108.3 50.6 -67.1 -38.9 2.4 7.1 -16.5 192 198 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.928 110.2 50.0 -64.1 -45.1 3.5 5.6 -13.2 193 199 A I H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.904 110.7 49.6 -59.6 -43.6 5.7 3.1 -15.0 194 200 A A H X S+ 0 0 58 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.926 112.4 48.0 -62.4 -44.7 7.3 5.9 -17.1 195 201 A A H X S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 114.1 45.0 -63.8 -42.8 7.9 7.9 -13.9 196 202 A K H < S+ 0 0 19 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.784 109.1 57.0 -73.1 -27.1 9.5 5.0 -12.0 197 203 A R H < S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.933 113.0 40.9 -67.0 -44.7 11.5 4.0 -15.1 198 204 A A H < S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.871 133.1 23.3 -69.5 -39.6 13.0 7.5 -15.1 199 205 A T S < S- 0 0 101 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.668 82.3-173.7-131.2 78.3 13.4 7.6 -11.3 200 206 A P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.170 4.6-176.1 -67.7 164.5 13.5 4.1 -9.8 201 207 A G - 0 0 37 2,-0.2 2,-1.7 -5,-0.0 5,-0.1 -0.846 44.3 -76.6-148.2-177.4 13.5 3.4 -6.0 202 208 A D S S+ 0 0 171 -2,-0.3 2,-0.3 4,-0.1 -50,-0.1 -0.614 93.0 102.1 -89.0 75.5 13.7 0.6 -3.4 203 209 A D S > S- 0 0 20 -2,-1.7 4,-1.8 -52,-0.1 -52,-0.2 -0.948 85.1-100.0-150.6 168.6 10.2 -0.5 -4.0 204 210 A M H > S+ 0 0 11 -54,-1.8 4,-2.3 -2,-0.3 5,-0.2 0.806 115.8 58.6 -65.2 -32.5 8.1 -3.2 -5.7 205 211 A T H > S+ 0 0 0 -54,-1.1 4,-2.3 -55,-0.2 -1,-0.2 0.946 108.6 46.5 -63.8 -43.4 7.2 -1.1 -8.8 206 212 A S H > S+ 0 0 12 -55,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.897 111.4 51.2 -64.5 -40.2 10.9 -0.6 -9.6 207 213 A L H X S+ 0 0 110 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.902 111.0 48.4 -64.0 -40.4 11.6 -4.3 -9.1 208 214 A L H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.906 110.6 50.5 -66.3 -41.6 8.8 -5.3 -11.4 209 215 A I H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.929 108.9 52.9 -61.9 -42.2 10.0 -2.8 -14.0 210 216 A A H < S+ 0 0 59 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.885 107.8 50.7 -59.6 -39.8 13.4 -4.3 -13.7 211 217 A A H < S+ 0 0 42 -4,-1.9 3,-0.3 1,-0.2 6,-0.3 0.827 113.4 45.5 -67.7 -32.1 12.0 -7.7 -14.4 212 218 A R H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 5,-0.2 0.831 111.3 51.4 -79.5 -34.3 10.2 -6.5 -17.5 213 219 A D < 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.401 360.0 360.0 -83.0 3.2 13.3 -4.5 -18.7 214 220 A D 0 0 115 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.628 360.0 360.0 -60.3 360.0 15.4 -7.7 -18.4 215 ! 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 0.0 216 226 A R 0 0 115 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0-169.1 10.7 -12.8 -17.8 217 227 A L - 0 0 14 -6,-0.3 -3,-0.1 -5,-0.2 -125,-0.0 -0.886 360.0-138.3-157.9 120.9 7.8 -10.4 -17.6 218 228 A S > - 0 0 30 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.276 30.1-106.9 -77.1 166.9 5.8 -9.1 -20.6 219 229 A P H > S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 123.3 48.5 -60.1 -37.9 4.6 -5.4 -21.0 220 230 A E H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 -141,-0.3 0.906 109.4 50.6 -69.0 -43.8 1.1 -6.6 -20.2 221 231 A E H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.854 110.3 52.4 -64.1 -33.5 2.1 -8.7 -17.2 222 232 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.985 115.5 36.9 -66.5 -57.6 3.9 -5.7 -15.8 223 233 A R H X S+ 0 0 64 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.887 118.9 50.5 -63.3 -37.8 1.1 -3.2 -16.1 224 234 A D H X S+ 0 0 6 -4,-2.9 4,-2.0 -145,-0.2 -1,-0.2 0.825 109.8 49.6 -70.3 -31.5 -1.5 -5.8 -15.1 225 235 A T H X S+ 0 0 3 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.896 112.5 48.4 -73.2 -37.8 0.5 -6.9 -12.1 226 236 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.898 108.7 54.0 -67.1 -38.0 0.7 -3.2 -11.1 227 237 A L H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.939 110.7 47.0 -59.6 -46.7 -3.0 -2.8 -11.7 228 238 A L H X S+ 0 0 36 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 114.7 44.4 -60.5 -51.4 -3.7 -5.7 -9.3 229 239 A M H X S+ 0 0 13 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.896 116.7 45.1 -63.7 -42.4 -1.3 -4.5 -6.5 230 240 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.928 114.9 47.7 -68.8 -43.9 -2.4 -0.9 -6.7 231 241 A S H X S+ 0 0 8 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.909 110.7 52.2 -63.1 -41.5 -6.1 -1.8 -6.8 232 242 A A H <>S+ 0 0 49 -4,-2.5 5,-0.6 -5,-0.2 -1,-0.2 0.853 112.8 45.2 -63.7 -34.7 -5.8 -4.2 -3.9 233 243 A G H <5S+ 0 0 8 -4,-1.5 -86,-0.3 -5,-0.2 -1,-0.2 0.774 114.0 47.8 -81.1 -25.5 -4.1 -1.6 -1.8 234 244 A Y H <5S+ 0 0 6 -4,-1.8 2,-0.2 -5,-0.1 -2,-0.2 0.687 120.0 26.3 -88.2 -18.4 -6.6 1.2 -2.6 235 245 A E T <5S+ 0 0 5 -4,-1.6 2,-2.3 -5,-0.2 -69,-0.0 -0.675 104.9 38.1-131.0-179.2 -9.8 -0.8 -2.0 236 246 A T T >>5S+ 0 0 32 1,-0.2 4,-1.2 -2,-0.2 3,-0.9 -0.376 104.6 63.5 71.3 -67.0 -10.8 -3.7 0.1 237 247 A T H >> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.881 101.3 51.2 -54.4 -39.6 -10.9 0.1 3.6 239 249 A N H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 -1,-0.3 0.793 105.2 53.7 -70.3 -29.8 -14.0 -2.1 4.0 240 250 A V H X S+ 0 0 9 -4,-2.3 4,-2.0 1,-0.2 3,-0.7 0.935 109.8 49.7 -66.0 -44.8 -19.4 -3.6 14.5 248 258 A L H 3< S+ 0 0 3 -4,-2.1 7,-0.3 1,-0.2 -1,-0.2 0.769 112.5 48.8 -65.3 -25.0 -17.6 -2.3 17.6 249 259 A L H 3< S+ 0 0 28 -4,-1.7 121,-0.3 -5,-0.2 -1,-0.2 0.632 119.6 36.3 -88.9 -15.4 -19.9 0.8 17.6 250 260 A T H << S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.520 120.0 47.9-111.0 -11.2 -23.1 -1.2 17.2 251 261 A R >X + 0 0 154 -4,-2.0 3,-1.9 -5,-0.2 4,-0.9 -0.639 63.9 174.7-129.9 71.2 -22.1 -4.1 19.3 252 262 A P H 3> S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.751 74.1 68.2 -49.5 -30.6 -20.7 -2.6 22.6 253 263 A D H 3> S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.860 97.8 52.7 -60.7 -34.8 -20.3 -6.0 24.2 254 264 A Q H <> S+ 0 0 21 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.887 108.4 48.4 -69.2 -38.7 -17.6 -6.8 21.7 255 265 A L H X S+ 0 0 23 -4,-0.9 4,-2.4 -7,-0.3 3,-0.2 0.907 109.8 53.9 -67.2 -39.4 -15.6 -3.7 22.5 256 266 A A H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 6,-0.2 0.869 102.7 57.3 -61.8 -36.9 -16.0 -4.5 26.2 257 267 A L H X>S+ 0 0 18 -4,-1.7 5,-2.0 2,-0.2 6,-1.3 0.882 107.9 47.9 -62.0 -37.0 -14.6 -7.9 25.6 258 268 A V H ><5S+ 0 0 18 -4,-1.3 3,-1.0 -3,-0.2 -2,-0.2 0.951 111.9 48.2 -68.0 -48.2 -11.5 -6.2 24.2 259 269 A R H 3<5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.820 110.0 52.6 -61.9 -31.4 -11.2 -3.9 27.1 260 270 A K H 3<5S- 0 0 131 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.652 113.8-119.5 -79.0 -14.2 -11.6 -6.7 29.6 261 271 A G T <<5S+ 0 0 64 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.611 81.0 120.9 86.1 12.3 -8.8 -8.6 27.8 262 272 A E S - 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