==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-OCT-10 3P6S . COMPND 2 MOLECULE: CAMPHOR 5-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.-T.LEE,R.F.WILSON,E.C GLAZER,D.B.GOODIN . 404 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.9 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 . 2 0.5 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 2 0 0 2 0 2 1 2 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 9 A A 0 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.2 -25.4 -2.6 29.9 2 10 A N + 0 0 153 1,-0.2 2,-0.8 48,-0.1 50,-0.5 0.666 360.0 148.5 75.5 20.8 -22.3 -0.8 31.5 3 11 A L - 0 0 69 47,-0.1 -1,-0.2 48,-0.1 47,-0.2 -0.800 42.9-139.9 -89.8 111.0 -24.3 2.4 31.9 4 12 A A - 0 0 24 45,-2.2 2,-0.0 -2,-0.8 49,-0.0 -0.387 37.1 -93.7 -57.6 140.5 -23.2 4.5 34.9 5 13 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.344 48.3 -98.5 -64.5 141.5 -26.2 6.0 36.7 6 14 A L - 0 0 49 1,-0.1 6,-0.1 -3,-0.1 43,-0.1 -0.394 36.0-118.1 -65.5 121.1 -27.1 9.5 35.5 7 15 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.298 25.8-118.0 -54.7 145.3 -25.7 12.2 37.9 8 16 A P T 3 S+ 0 0 138 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.763 109.7 57.8 -58.5 -31.8 -28.6 14.3 39.3 9 17 A H T 3 S+ 0 0 54 2,-0.1 293,-0.2 0, 0.0 -3,-0.0 0.455 87.2 89.3 -76.2 -7.9 -27.4 17.6 37.7 10 18 A V S < S- 0 0 5 -3,-1.6 2,-0.1 291,-0.1 5,-0.1 -0.850 77.3-133.2 -97.5 117.4 -27.5 16.2 34.1 11 19 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.447 13.5-127.0 -72.2 141.6 -31.0 16.6 32.4 12 20 A E G > S+ 0 0 162 1,-0.3 3,-1.9 2,-0.2 35,-0.1 0.783 103.9 67.1 -58.9 -33.0 -32.3 13.6 30.7 13 21 A H G 3 S+ 0 0 149 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.657 97.1 57.6 -64.6 -12.5 -32.9 15.3 27.4 14 22 A L G < S+ 0 0 14 -3,-1.9 33,-2.3 32,-0.1 2,-0.4 0.450 81.8 115.0 -92.6 -0.1 -29.1 15.7 27.0 15 23 A V B < +a 47 0A 41 -3,-1.9 2,-0.3 31,-0.2 33,-0.2 -0.556 26.5 155.0 -84.6 126.5 -28.5 12.0 27.3 16 24 A F - 0 0 63 31,-2.5 2,-2.2 -2,-0.4 30,-0.1 -0.869 35.7-141.7-147.9 108.5 -27.0 10.1 24.3 17 25 A D + 0 0 62 -2,-0.3 2,-0.4 31,-0.2 31,-0.1 -0.451 32.3 168.5 -82.7 72.6 -25.2 6.9 25.2 18 26 A F - 0 0 7 -2,-2.2 2,-0.7 32,-0.1 32,-0.3 -0.679 24.5-150.0 -79.6 136.0 -22.3 7.1 22.7 19 27 A D > - 0 0 46 -2,-0.4 3,-1.2 3,-0.2 -2,-0.0 -0.888 5.7-165.5-110.1 106.3 -19.5 4.5 23.4 20 28 A M T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 14,-0.0 0.698 90.2 46.6 -67.0 -19.3 -16.2 6.0 22.2 21 29 A Y T 3 S+ 0 0 86 1,-0.2 363,-0.4 362,-0.0 -1,-0.3 0.567 130.1 20.9 -94.5 -13.6 -14.4 2.6 22.4 22 30 A N S < S- 0 0 109 -3,-1.2 -2,-0.2 361,-0.1 -1,-0.2 -0.331 78.0-174.6-151.3 64.9 -17.3 0.7 20.6 23 31 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 11,-0.1 -0.356 31.6-119.1 -71.6 149.3 -19.5 3.0 18.6 24 32 A S T 3 S+ 0 0 116 1,-0.3 3,-0.3 9,-0.1 10,-0.1 0.757 107.2 44.0 -51.9 -41.9 -22.6 1.6 16.9 25 33 A N T > + 0 0 82 1,-0.2 3,-2.0 8,-0.2 4,-0.3 0.142 69.9 128.9-100.8 23.3 -21.8 2.2 13.3 26 34 A L G X + 0 0 37 -3,-1.7 3,-2.4 1,-0.3 356,-0.3 0.798 67.8 61.8 -44.4 -44.3 -18.1 1.2 13.3 27 35 A S G 3 S+ 0 0 121 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.812 97.1 59.5 -61.0 -29.0 -18.5 -1.1 10.3 28 36 A A G < S- 0 0 65 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.569 131.7 -76.8 -67.6 -8.1 -19.5 2.0 8.2 29 37 A G <> - 0 0 8 -3,-2.4 4,-2.4 -4,-0.3 -1,-0.2 -0.079 40.4-100.1 113.3 139.9 -16.1 3.5 9.0 30 38 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 119.9 48.8 -66.9 -40.3 -14.9 5.1 12.3 31 39 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 113.1 49.5 -60.0 -43.9 -15.3 8.8 11.2 32 40 A E H > S+ 0 0 66 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.904 109.0 54.0 -59.5 -39.7 -18.8 8.0 9.9 33 41 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 4,-0.3 0.913 110.9 43.7 -65.3 -43.2 -19.5 6.3 13.3 34 42 A W H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.850 101.0 70.8 -70.2 -30.9 -18.5 9.3 15.3 35 43 A A H >< S+ 0 0 23 -4,-2.1 3,-2.6 1,-0.3 -1,-0.2 0.683 77.2 80.2 -60.1 -20.9 -20.5 11.6 12.8 36 44 A V G X< S+ 0 0 26 -3,-0.8 3,-2.0 -4,-0.7 -1,-0.3 0.847 81.1 66.8 -49.0 -35.4 -23.7 10.2 14.3 37 45 A L G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.618 98.4 54.7 -65.0 -7.6 -23.1 12.7 17.1 38 46 A Q G < S+ 0 0 10 -3,-2.6 -1,-0.3 -4,-0.1 -2,-0.2 0.271 73.8 123.3-112.9 9.8 -23.7 15.4 14.5 39 47 A E S X S- 0 0 107 -3,-2.0 3,-1.8 1,-0.1 -3,-0.0 -0.371 76.6-110.0 -63.7 152.0 -27.1 14.3 13.3 40 48 A S T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.659 115.2 60.1 -66.1 -22.0 -29.6 17.2 13.7 41 49 A N T 3 S+ 0 0 120 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.386 90.0 91.8 -80.5 4.5 -31.6 15.5 16.6 42 50 A V S < S- 0 0 6 -3,-1.8 4,-0.1 -6,-0.1 -28,-0.1 -0.895 79.2-125.5-110.1 118.8 -28.4 15.5 18.6 43 51 A P - 0 0 48 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.109 21.7-113.1 -59.8 157.1 -27.6 18.5 20.9 44 52 A D S S+ 0 0 51 1,-0.2 14,-2.6 13,-0.1 15,-0.6 0.770 109.2 33.0 -60.3 -28.6 -24.3 20.4 20.7 45 53 A L E S+ B 0 57A 6 12,-0.2 2,-0.3 13,-0.1 12,-0.2 -0.981 78.8 170.9-136.3 118.4 -23.4 19.1 24.1 46 54 A V E - B 0 56A 0 10,-2.6 10,-2.9 -2,-0.4 2,-0.4 -0.799 26.8-133.3-125.4 163.4 -24.5 15.7 25.3 47 55 A W E -aB 15 55A 8 -33,-2.3 -31,-2.5 8,-0.3 2,-0.4 -0.974 17.2-159.7-112.8 130.7 -23.8 13.3 28.3 48 56 A T E - B 0 54A 0 6,-3.2 6,-2.1 -2,-0.4 -31,-0.2 -0.907 14.1-151.7-105.3 143.0 -23.1 9.6 27.6 49 57 A R > + 0 0 76 -2,-0.4 -45,-2.2 4,-0.2 3,-0.6 0.546 67.9 104.3 -84.4 -5.4 -23.6 7.0 30.4 50 58 A C G > S+ 0 0 13 -32,-0.3 3,-2.2 1,-0.2 -2,-0.1 -0.309 77.5 17.2 -66.8 155.4 -20.9 4.8 28.8 51 59 A N G 3 S- 0 0 41 -49,-0.3 31,-0.2 1,-0.3 -1,-0.2 0.819 142.3 -41.7 56.2 41.0 -17.5 4.5 30.1 52 60 A G G < S- 0 0 61 -3,-0.6 -1,-0.3 -50,-0.5 -2,-0.1 0.109 105.8 -76.4 97.1 -20.9 -18.2 5.9 33.6 53 61 A G < + 0 0 10 -3,-2.2 255,-0.3 1,-0.1 2,-0.3 0.330 66.7 162.8 97.7 128.5 -20.5 8.7 32.3 54 62 A H E -B 48 0A 0 -6,-2.1 -6,-3.2 253,-0.1 255,-0.2 -0.968 35.8 -97.3-171.0 155.2 -19.1 11.9 30.7 55 63 A W E -Bc 47 309A 0 253,-2.4 255,-3.7 -2,-0.3 2,-0.4 -0.468 27.6-161.0 -74.2 152.3 -19.9 14.9 28.5 56 64 A I E -Bc 46 310A 0 -10,-2.9 -10,-2.6 253,-0.2 2,-0.5 -0.981 9.4-150.9-131.9 125.8 -19.2 15.1 24.8 57 65 A A E -B 45 0A 0 253,-2.0 -12,-0.2 -2,-0.4 258,-0.1 -0.870 15.4-175.8 -90.7 128.4 -19.1 18.3 22.8 58 66 A T + 0 0 0 -14,-2.6 2,-0.4 -2,-0.5 -13,-0.1 0.479 53.9 69.5-108.3 -11.4 -20.2 17.4 19.2 59 67 A R S > S- 0 0 3 -15,-0.6 4,-2.2 1,-0.1 3,-0.4 -0.899 78.7-122.8-118.5 144.5 -19.7 20.7 17.3 60 68 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 256,-0.3 5,-0.2 0.826 108.4 56.6 -52.1 -41.1 -16.4 22.4 16.3 61 69 A Q H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 111.9 41.7 -60.6 -45.9 -17.3 25.7 18.0 62 70 A L H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 5,-0.2 0.886 113.0 53.7 -67.5 -41.8 -17.8 24.1 21.4 63 71 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.937 112.8 43.3 -58.4 -49.7 -14.7 21.8 21.0 64 72 A R H X S+ 0 0 50 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.933 111.7 54.0 -58.9 -53.8 -12.5 24.9 20.2 65 73 A E H X S+ 0 0 64 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.894 111.2 44.9 -53.8 -40.8 -14.0 27.0 23.0 66 74 A A H < S+ 0 0 0 -4,-2.2 7,-0.3 2,-0.2 -1,-0.2 0.880 110.1 53.1 -74.7 -35.0 -13.3 24.4 25.7 67 75 A Y H < S+ 0 0 5 -4,-1.9 278,-0.5 -5,-0.2 3,-0.2 0.836 111.7 49.1 -64.4 -30.8 -9.8 23.6 24.4 68 76 A E H < S+ 0 0 111 -4,-2.1 2,-1.7 1,-0.2 -2,-0.2 0.863 100.3 67.9 -71.3 -37.5 -9.1 27.4 24.7 69 77 A D >X + 0 0 42 -4,-1.6 4,-2.5 1,-0.2 3,-1.0 -0.466 53.4 156.9 -92.9 70.7 -10.6 27.6 28.2 70 78 A Y T 34 + 0 0 71 -2,-1.7 -1,-0.2 1,-0.2 5,-0.1 0.716 67.2 70.5 -67.0 -18.1 -8.0 25.7 30.2 71 79 A R T 34 S+ 0 0 190 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.871 116.0 21.8 -68.2 -34.4 -9.0 27.5 33.3 72 80 A H T <4 S+ 0 0 49 -3,-1.0 221,-2.4 1,-0.2 2,-0.7 0.731 126.3 52.4 -92.3 -35.4 -12.4 25.6 33.4 73 81 A F E < S-D 292 0A 0 -4,-2.5 219,-0.2 -7,-0.3 2,-0.2 -0.846 81.0-165.7-112.7 94.7 -11.4 22.6 31.3 74 82 A S E -D 291 0A 4 217,-2.9 217,-2.4 -2,-0.7 3,-0.5 -0.525 26.8-147.0 -92.8 149.4 -8.2 21.1 32.8 75 83 A S S S+ 0 0 1 215,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.447 75.7 100.4 -88.2 -3.2 -5.7 18.6 31.4 76 84 A E S S+ 0 0 152 1,-0.3 -1,-0.2 215,-0.2 214,-0.0 0.874 99.7 25.8 -51.4 -38.4 -4.9 17.0 34.8 77 85 A C S S+ 0 0 24 -3,-0.5 -1,-0.3 1,-0.1 16,-0.1 -0.745 75.6 156.5-121.2 81.2 -7.3 14.2 33.8 78 86 A P + 0 0 8 0, 0.0 211,-2.1 0, 0.0 2,-0.4 0.628 49.1 77.3 -86.5 -9.1 -7.4 14.1 29.9 79 87 A F S S- 0 0 26 5,-0.2 5,-0.2 209,-0.2 209,-0.1 -0.826 76.9-112.1-109.4 139.3 -8.5 10.4 29.3 80 88 A I S S+ 0 0 2 -2,-0.4 2,-0.1 3,-0.1 -28,-0.1 -0.931 97.2 45.8-102.6 131.9 -11.9 8.8 29.6 81 89 A P S S- 0 0 43 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.566 87.2-133.7 -74.3 163.3 -12.5 6.7 31.8 82 90 A R S S+ 0 0 108 1,-0.2 2,-1.8 -31,-0.2 -3,-0.2 0.824 98.4 65.9 -53.1 -40.4 -11.0 8.6 34.7 83 91 A E 0 0 167 3,-0.1 -1,-0.2 0, 0.0 -3,-0.1 -0.504 360.0 360.0 -88.8 71.0 -9.1 5.5 36.0 84 92 A A 0 0 58 -2,-1.8 3,-0.4 -5,-0.2 -5,-0.2 -0.941 360.0 360.0-155.0 360.0 -6.7 5.3 33.0 85 ! 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 86 95 A A 0 0 92 0, 0.0 2,-0.8 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 14.2 -1.8 6.3 35.7 87 96 A Y + 0 0 46 -3,-0.4 -8,-0.1 1,-0.1 -3,-0.0 -0.767 360.0 164.2-100.5 103.3 -0.6 8.6 32.9 88 97 A D + 0 0 45 -2,-0.8 -1,-0.1 2,-0.1 2,-0.1 0.183 24.3 136.8-108.9 21.7 2.4 10.8 33.9 89 98 A F > - 0 0 2 145,-0.1 4,-1.3 2,-0.1 143,-0.2 -0.369 52.9 -97.3 -68.7 145.3 3.7 12.0 30.5 90 99 A I T 4 S+ 0 0 1 141,-1.2 145,-0.3 1,-0.2 146,-0.2 -0.921 92.0 1.6-113.2 138.4 4.7 15.7 30.1 91 100 A P T >4 S+ 0 0 11 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.961 113.1 79.0 -94.9 12.8 3.3 18.1 29.0 92 101 A T T 34 S+ 0 0 37 1,-0.3 -2,-0.2 254,-0.0 254,-0.0 0.719 99.7 39.9 -55.7 -31.3 0.1 16.2 28.3 93 102 A S T 3< S+ 0 0 23 -4,-1.3 2,-0.4 -16,-0.1 -1,-0.3 0.340 100.8 94.8-103.7 13.0 -1.3 16.2 31.8 94 103 A M < - 0 0 25 -3,-2.1 -5,-0.0 -5,-0.1 -4,-0.0 -0.841 58.1-151.2-107.0 137.3 -0.2 19.7 32.7 95 104 A D > - 0 0 34 -2,-0.4 4,-2.2 1,-0.1 3,-0.1 -0.557 41.8 -62.2 -87.5 160.4 -2.1 23.0 32.6 96 105 A P T 4 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.507 109.6 46.9 -62.6 151.2 -0.5 26.4 32.0 97 106 A P T >> S+ 0 0 102 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.888 127.2 29.6 -76.5 -41.4 1.6 28.1 33.6 98 107 A E H >> S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 4,-1.1 0.879 112.1 65.2 -53.4 -46.0 4.0 25.1 34.1 99 108 A Q H 3X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.3 -1,-0.3 0.853 93.2 63.6 -42.1 -43.7 3.0 23.3 30.9 100 109 A R H <> S+ 0 0 135 -3,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.820 98.5 54.2 -57.8 -34.2 4.5 26.3 28.9 101 110 A Q H < S+ 0 0 8 -4,-1.5 3,-1.3 2,-0.2 4,-0.5 0.956 110.6 49.1 -67.8 -49.1 11.8 22.7 25.6 106 115 A A H >X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.3 3,-1.1 0.848 105.2 61.4 -62.0 -30.9 10.0 20.0 23.6 107 116 A N H 3X S+ 0 0 71 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.778 92.5 62.7 -64.7 -27.2 9.7 22.5 20.7 108 117 A Q H << S+ 0 0 121 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.685 110.0 42.0 -70.2 -16.7 13.5 22.8 20.4 109 118 A V H <4 S+ 0 0 5 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.695 131.4 19.8-102.7 -25.0 13.5 19.0 19.5 110 119 A V H < S+ 0 0 11 -4,-1.3 243,-0.3 100,-0.1 242,-0.2 0.411 91.5 126.6-125.7 1.5 10.5 18.8 17.1 111 120 A G S >X S- 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 3,-1.3 -0.061 77.5 -90.0 -56.7 159.8 9.9 22.4 16.0 112 121 A M H 3> S+ 0 0 76 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.801 124.3 52.6 -41.7 -44.0 9.7 23.6 12.4 113 122 A P H 3> S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.843 108.9 49.5 -72.8 -27.5 13.5 24.2 12.0 114 123 A V H <> S+ 0 0 31 -3,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.906 110.6 52.9 -64.0 -43.2 14.4 20.7 13.2 115 124 A V H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 3,-0.2 0.912 107.7 49.5 -60.3 -42.5 11.8 19.4 10.7 116 125 A D H >< S+ 0 0 88 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.901 109.3 53.3 -61.4 -41.4 13.4 21.3 7.9 117 126 A K H 3< S+ 0 0 134 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.842 114.1 42.6 -56.9 -34.6 16.8 19.9 8.9 118 127 A L H >X S+ 0 0 13 -4,-1.6 4,-2.6 -3,-0.2 3,-0.9 0.500 80.1 106.7 -95.6 -5.4 15.3 16.3 8.8 119 128 A E H S+ 0 0 93 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.3 0.699 112.1 57.6 -82.8 -18.9 15.5 14.4 3.3 121 130 A R H <> S+ 0 0 100 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.885 109.6 49.1 -68.2 -36.8 16.5 11.9 6.1 122 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.930 112.1 46.5 -65.5 -46.5 12.7 11.5 6.3 123 132 A Q H X S+ 0 0 46 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.906 109.8 53.5 -61.3 -42.9 12.5 11.0 2.5 124 133 A E H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 110.0 48.1 -62.4 -41.4 15.5 8.5 2.5 125 134 A L H X S+ 0 0 27 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.926 112.5 48.5 -60.8 -47.0 13.7 6.4 5.2 126 135 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.928 112.0 49.6 -59.1 -45.6 10.4 6.4 3.2 127 136 A C H X S+ 0 0 29 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.890 110.4 48.7 -64.2 -41.6 12.2 5.5 -0.1 128 137 A S H X S+ 0 0 73 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.916 113.6 47.6 -71.7 -33.9 14.1 2.6 1.5 129 138 A L H X S+ 0 0 19 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.941 116.4 43.0 -64.2 -49.0 10.9 1.2 3.1 130 139 A I H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.886 110.3 55.9 -67.7 -40.5 8.8 1.6 -0.1 131 140 A E H 3< S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 104.7 53.6 -61.0 -35.8 11.6 0.2 -2.4 132 141 A S H 3< S+ 0 0 76 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.754 115.5 39.3 -74.4 -21.7 11.8 -3.0 -0.3 133 142 A L H XX>S+ 0 0 22 -4,-0.9 3,-1.9 -3,-0.6 4,-0.7 0.778 96.5 83.1 -89.3 -31.4 8.1 -3.6 -0.7 134 143 A R G ><5S+ 0 0 34 -4,-2.3 3,-1.0 1,-0.3 -2,-0.1 0.830 89.9 46.9 -48.7 -49.2 7.7 -2.5 -4.4 135 144 A P G 345S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.681 100.9 68.9 -73.2 -10.6 8.8 -5.7 -6.1 136 145 A Q G <45S- 0 0 134 -3,-1.9 -2,-0.2 2,-0.1 3,-0.1 0.750 90.3-142.0 -75.1 -23.2 6.5 -7.9 -3.9 137 146 A G T <<5S+ 0 0 9 -3,-1.0 260,-1.9 -4,-0.7 2,-0.3 0.678 74.3 50.3 68.3 17.1 3.3 -6.5 -5.4 138 147 A Q E < +F 396 0B 127 -5,-0.6 2,-0.3 258,-0.3 258,-0.2 -0.959 53.8 161.3-172.6 157.4 1.7 -6.6 -1.9 139 148 A C E -F 395 0B 10 256,-1.9 256,-2.7 -2,-0.3 2,-0.8 -0.945 46.0-107.7-165.2 163.4 2.1 -5.6 1.8 140 149 A N E > -F 394 0B 46 -2,-0.3 4,-3.7 254,-0.2 5,-0.4 -0.947 38.7-158.9 -91.0 105.6 0.2 -5.0 5.0 141 150 A F H >>S+ 0 0 0 252,-3.0 5,-2.9 -2,-0.8 4,-2.1 0.881 85.0 49.6 -56.2 -41.1 0.5 -1.3 4.8 142 151 A T H 4>S+ 0 0 3 3,-0.2 5,-1.7 1,-0.2 -1,-0.2 0.939 122.2 34.0 -64.9 -45.1 -0.1 -0.7 8.6 143 152 A E H 45S+ 0 0 102 3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.849 124.4 40.5 -77.5 -39.4 2.4 -3.4 9.5 144 153 A D H <5S+ 0 0 55 -4,-3.7 -3,-0.2 3,-0.1 -2,-0.2 0.663 136.0 0.2 -93.8 -21.9 5.0 -3.0 6.7 145 154 A Y T X5S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.4 -3,-0.2 0.601 121.3 59.2-132.1 -49.4 5.2 0.8 6.3 146 155 A A T 4 S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.805 106.1 63.4 -56.3 -27.0 8.3 1.0 10.9 149 158 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.2 0.972 104.3 37.7 -68.7 -60.0 8.3 4.6 9.6 150 159 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.850 116.3 52.9 -60.3 -37.1 7.5 6.8 12.7 151 160 A I H X S+ 0 0 3 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.868 109.5 49.3 -68.1 -34.5 9.6 4.7 15.0 152 161 A R H X S+ 0 0 77 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.863 108.3 53.7 -68.6 -35.0 12.6 5.0 12.7 153 162 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.932 107.5 51.7 -63.8 -40.1 12.1 8.7 12.6 154 163 A F H X S+ 0 0 11 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.918 106.8 52.1 -62.7 -45.5 12.2 8.8 16.4 155 164 A M H X>S+ 0 0 9 -4,-2.0 5,-2.4 2,-0.2 4,-0.6 0.837 111.1 49.5 -55.7 -37.4 15.5 6.8 16.4 156 165 A L H ><5S+ 0 0 74 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.988 115.2 41.6 -66.2 -55.3 16.9 9.4 14.0 157 166 A L H 3<5S+ 0 0 21 -4,-2.8 53,-2.8 1,-0.3 -2,-0.2 0.848 120.8 42.5 -56.3 -45.8 15.7 12.4 16.2 158 167 A A H 3<5S- 0 0 0 -4,-3.3 -1,-0.3 51,-0.2 53,-0.2 0.488 107.8-122.6 -85.2 -3.0 16.7 10.8 19.4 159 168 A G T <<5 + 0 0 36 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.922 57.0 155.5 58.1 48.7 20.1 9.5 18.1 160 169 A L < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.824 44.6-101.8-111.3 144.2 19.2 5.9 19.0 161 170 A P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.394 20.7-125.0 -73.2 135.7 20.7 2.7 17.4 162 171 A E G > S+ 0 0 95 1,-0.3 3,-1.9 2,-0.2 -7,-0.0 0.801 106.9 66.8 -32.9 -46.5 18.8 0.6 14.8 163 172 A E G 3 S+ 0 0 147 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.733 92.7 61.0 -61.0 -23.4 19.2 -2.6 17.0 164 173 A D G <> S+ 0 0 50 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.486 80.0 90.7 -77.9 -4.4 16.9 -1.1 19.7 165 174 A I H <> S+ 0 0 11 -3,-1.9 4,-3.0 -4,-0.2 5,-0.3 0.928 81.5 49.4 -67.4 -47.4 13.9 -0.8 17.4 166 175 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.919 116.2 43.2 -60.3 -40.1 12.2 -4.2 18.0 167 176 A H H > S+ 0 0 103 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.908 115.6 48.4 -70.6 -37.4 12.4 -3.8 21.8 168 177 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.927 112.6 48.7 -68.6 -44.3 11.3 -0.2 21.8 169 178 A K H X S+ 0 0 41 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.842 108.7 53.6 -60.1 -41.3 8.3 -1.0 19.4 170 179 A Y H X S+ 0 0 73 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.962 110.0 48.3 -55.1 -50.5 7.3 -3.9 21.7 171 180 A L H X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.933 114.6 43.7 -59.3 -47.3 7.2 -1.5 24.7 172 181 A T H X S+ 0 0 6 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.901 109.7 58.0 -67.5 -37.5 5.1 1.2 22.9 173 182 A D H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.810 102.6 54.8 -56.8 -32.2 2.9 -1.5 21.4 174 183 A Q H < S+ 0 0 5 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.816 102.1 57.5 -76.2 -27.8 2.0 -2.7 25.0 175 184 A M H < S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.890 122.5 22.8 -67.0 -37.1 0.9 0.8 26.0 176 185 A T H < S+ 0 0 76 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.636 140.9 18.1-112.4 -18.6 -1.7 1.0 23.3 177 186 A R S < S- 0 0 89 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 -0.457 79.1-161.4-146.6 76.9 -2.5 -2.6 22.4 178 187 A P - 0 0 85 0, 0.0 -4,-0.1 0, 0.0 5,-0.1 -0.278 16.2-162.8 -67.0 135.3 -1.3 -4.9 25.3 179 188 A D - 0 0 93 3,-0.1 -5,-0.1 -2,-0.0 -6,-0.0 0.482 55.2-102.7 -90.4 -3.6 -0.8 -8.6 24.5 180 189 A G S S+ 0 0 64 2,-0.4 3,-0.1 -6,-0.1 -6,-0.0 0.245 96.5 109.7 104.2 -10.0 -0.9 -9.2 28.2 181 190 A S S S+ 0 0 88 1,-0.1 2,-0.3 2,-0.0 -7,-0.0 0.852 88.5 16.9 -62.4 -34.5 2.9 -9.7 28.8 182 191 A M S S- 0 0 38 -8,-0.0 -2,-0.4 -11,-0.0 -1,-0.1 -0.971 75.2-121.0-141.1 144.9 3.1 -6.4 30.7 183 192 A T > - 0 0 80 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.381 39.9-103.8 -75.1 167.1 0.8 -3.9 32.4 184 193 A F H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.925 125.6 49.5 -56.7 -44.5 0.7 -0.3 31.2 185 194 A A H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.870 110.1 50.7 -63.5 -37.4 2.8 0.7 34.2 186 195 A E H > S+ 0 0 101 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 110.8 47.7 -68.0 -41.3 5.3 -2.1 33.5 187 196 A A H X S+ 0 0 0 -4,-2.5 4,-3.7 2,-0.2 -2,-0.2 0.933 112.9 50.9 -62.3 -46.8 5.7 -1.0 29.9 188 197 A K H X S+ 0 0 18 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 113.0 43.2 -54.6 -54.0 6.2 2.6 31.1 189 198 A E H X S+ 0 0 92 -4,-2.9 4,-3.5 2,-0.2 -1,-0.2 0.868 113.7 51.8 -61.8 -42.6 8.9 1.6 33.7 190 199 A A H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.955 110.4 49.0 -54.7 -50.9 10.5 -0.6 31.1 191 200 A L H X S+ 0 0 0 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.913 113.7 47.3 -54.1 -40.3 10.5 2.4 28.8 192 201 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.887 106.0 56.8 -72.4 -38.3 12.0 4.4 31.6 193 202 A D H < S+ 0 0 110 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 110.9 46.9 -48.7 -48.4 14.6 1.8 32.4 194 203 A Y H X S+ 0 0 35 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.931 117.4 38.6 -62.4 -52.3 15.7 2.2 28.8 195 204 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.761 99.5 73.7 -79.6 -31.6 15.8 6.0 28.6 196 205 A I H X S+ 0 0 47 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.913 99.2 43.9 -50.0 -52.1 17.2 6.8 32.1 197 206 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 113.9 51.1 -66.5 -33.8 20.8 5.7 31.3 198 207 A I H X S+ 0 0 25 -4,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.874 112.2 46.7 -68.9 -41.0 20.8 7.5 28.0 199 208 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.2 0.935 112.3 50.1 -63.3 -52.9 19.6 10.7 29.6 200 209 A E H X S+ 0 0 78 -4,-2.9 4,-0.9 -5,-0.2 -2,-0.2 0.913 113.8 46.1 -50.4 -43.7 22.2 10.5 32.4 201 210 A Q H X S+ 0 0 135 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.872 112.2 47.8 -72.4 -37.8 25.0 10.0 29.9 202 211 A R H < S+ 0 0 43 -4,-1.8 -1,-0.2 2,-0.3 -2,-0.2 0.619 102.5 63.1 -83.8 -15.0 23.9 12.8 27.5 203 212 A R H < S+ 0 0 63 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.866 115.2 35.5 -60.2 -39.0 23.6 15.1 30.4 204 213 A Q H < S+ 0 0 166 -4,-0.9 -2,-0.3 1,-0.2 -3,-0.1 0.835 135.6 20.2 -86.5 -41.5 27.4 14.4 30.7 205 214 A K S < S- 0 0 171 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.749 87.9-157.2-134.0 85.3 28.4 14.1 27.0 206 215 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.295 10.0-166.4 -69.5 142.9 25.7 15.9 24.9 207 216 A G - 0 0 36 2,-0.2 -48,-0.0 -5,-0.1 0, 0.0 -0.259 39.6-104.7 -97.3-164.7 24.9 15.3 21.3 208 217 A T S S+ 0 0 120 -2,-0.1 2,-0.1 4,-0.0 -49,-0.1 0.099 87.3 110.6-106.4 18.8 22.7 17.5 19.0 209 218 A D S > S- 0 0 22 -51,-0.1 4,-1.9 -50,-0.1 -51,-0.2 -0.462 84.5 -99.6 -92.6 165.4 19.9 14.9 19.3 210 219 A A H > S+ 0 0 7 -53,-2.8 4,-2.3 1,-0.2 5,-0.2 0.773 120.0 50.0 -57.5 -40.8 16.5 15.1 21.1 211 220 A I H > S+ 0 0 1 -53,-0.2 4,-3.0 2,-0.2 5,-0.2 0.952 111.3 51.0 -66.7 -44.1 17.5 13.2 24.3 212 221 A S H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.874 112.3 47.7 -54.5 -40.7 20.6 15.5 24.6 213 222 A I H < S+ 0 0 50 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.923 115.0 42.8 -71.6 -41.5 18.4 18.5 24.2 214 223 A V H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.914 112.8 53.1 -73.0 -39.7 15.8 17.5 26.8 215 224 A A H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.1 46.5 -62.6 -37.1 18.3 16.2 29.3 216 225 A N T 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.053 93.1 124.2 -96.2 25.6 20.2 19.5 29.3 217 226 A G < - 0 0 8 -3,-1.5 7,-2.9 1,-0.0 2,-0.5 -0.439 55.8-127.7 -92.8 162.9 17.1 21.7 29.6 218 227 A Q E -H 223 0C 127 5,-0.3 2,-0.4 -2,-0.1 -113,-0.1 -0.888 19.1-172.1-109.3 124.9 16.0 24.4 32.0 219 228 A V E > S-H 222 0C 1 3,-3.5 3,-2.9 -2,-0.5 -121,-0.0 -0.972 71.3 -23.2-119.1 131.5 12.6 24.4 33.8 220 229 A N T 3 S- 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 -122,-0.0 0.843 129.0 -46.9 39.3 44.8 11.3 27.4 35.8 221 230 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.240 126.6 82.5 88.4 -15.2 14.9 28.6 36.4 222 231 A R E < S-H 219 0C 89 -3,-2.9 -3,-3.5 1,-0.1 -1,-0.2 -0.714 87.5 -87.7-115.3 168.3 16.4 25.3 37.4 223 232 A P E -H 218 0C 81 0, 0.0 -5,-0.3 0, 0.0 2,-0.1 -0.432 52.4 -96.5 -70.1 154.3 17.7 22.3 35.3 224 233 A I - 0 0 1 -7,-2.9 2,-0.2 -10,-0.2 -6,-0.0 -0.420 38.8-120.4 -64.3 139.3 15.3 19.5 34.4 225 234 A T > - 0 0 61 1,-0.1 4,-2.7 -2,-0.1 3,-0.3 -0.587 20.0-116.8 -77.2 149.1 15.2 16.5 36.7 226 235 A S H > S+ 0 0 32 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.893 118.7 55.4 -47.6 -44.1 15.9 13.1 35.2 227 236 A D H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 108.9 44.9 -56.5 -44.7 12.3 12.2 36.2 228 237 A E H > S+ 0 0 17 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.901 113.3 52.3 -69.4 -38.7 10.9 15.1 34.2 229 238 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.899 108.9 48.3 -61.0 -44.6 13.2 14.4 31.3 230 239 A K H X S+ 0 0 27 -4,-2.7 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-1,-0.3 -4,-0.5 -2,-0.2 0.361 107.8 61.4 -95.7 8.7 4.3 10.3 17.2 241 250 A L T <> S+ 0 0 14 -3,-1.2 4,-3.2 -4,-0.2 5,-0.3 0.903 103.0 32.3 -93.3 -77.2 3.5 6.6 16.8 242 251 A D H X S+ 0 0 29 -4,-0.7 4,-2.4 1,-0.2 5,-0.3 0.855 121.2 50.4 -56.1 -41.9 -0.1 5.5 17.0 243 252 A T H > S+ 0 0 42 -5,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.924 117.1 39.1 -56.8 -52.0 -1.4 8.8 15.5 244 253 A V H > S+ 0 0 11 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.948 115.6 52.3 -68.1 -49.8 1.0 8.7 12.5 245 254 A V H X S+ 0 0 7 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.921 117.8 37.5 -50.7 -49.8 0.6 4.9 12.0 246 255 A N H X S+ 0 0 3 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.843 115.6 51.7 -79.5 -37.6 -3.2 5.1 11.9 247 256 A F H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.958 109.5 50.0 -58.6 -50.2 -3.5 8.4 10.1 248 257 A L H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.887 111.0 53.0 -54.8 -38.2 -1.2 7.2 7.3 249 258 A S H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.933 107.7 47.0 -66.3 -47.5 -3.4 4.0 7.2 250 259 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.866 115.0 49.1 -57.0 -41.2 -6.7 5.9 6.7 251 260 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.894 112.8 45.4 -68.3 -46.3 -5.1 8.0 4.0 252 261 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.845 111.3 54.3 -65.2 -31.8 -3.7 5.0 2.2 253 262 A E H X S+ 0 0 17 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.931 111.1 44.6 -67.5 -47.5 -7.0 3.2 2.5 254 263 A F H >X S+ 0 0 39 -4,-2.3 4,-1.1 1,-0.2 3,-0.6 0.938 113.0 50.5 -60.3 -49.7 -8.9 6.1 0.9 255 264 A L H 3< S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 3,-0.3 0.855 109.6 51.6 -59.4 -30.2 -6.2 6.5 -1.9 256 265 A A H 3< S+ 0 0 6 -4,-1.8 118,-0.4 1,-0.2 -1,-0.2 0.785 113.4 45.3 -77.9 -25.6 -6.5 2.7 -2.6 257 266 A K H << S+ 0 0 116 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.565 110.8 55.9 -91.7 -9.5 -10.2 3.0 -2.9 258 267 A S X + 0 0 23 -4,-1.1 4,-2.4 -3,-0.3 3,-0.5 -0.755 54.2 175.4-128.6 83.1 -10.2 6.2 -5.0 259 268 A P H > S+ 0 0 74 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.852 83.4 58.6 -54.8 -34.5 -8.2 5.8 -8.3 260 269 A E H > S+ 0 0 163 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.876 105.7 46.7 -64.7 -42.1 -9.3 9.3 -9.3 261 270 A H H > S+ 0 0 35 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.903 112.5 51.1 -67.2 -38.7 -7.9 10.9 -6.2 262 271 A R H X S+ 0 0 16 -4,-2.4 4,-2.0 -7,-0.3 3,-0.3 0.961 110.8 49.1 -57.2 -51.2 -4.7 8.9 -6.8 263 272 A Q H X S+ 0 0 84 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.882 105.3 57.9 -54.0 -43.7 -4.7 10.2 -10.4 264 273 A E H X S+ 0 0 42 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.919 111.0 41.5 -58.1 -42.5 -5.2 13.8 -9.3 265 274 A L H < S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.793 112.5 53.7 -77.0 -32.1 -2.0 13.7 -7.2 266 275 A I H < S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.933 116.6 39.9 -60.3 -46.1 0.1 11.8 -9.8 267 276 A E H < S+ 0 0 111 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.767 130.4 27.7 -79.0 -26.9 -0.9 14.5 -12.3 268 277 A R >< + 0 0 114 -4,-1.6 3,-1.5 -5,-0.3 -1,-0.3 -0.671 62.4 165.4-133.5 76.9 -0.5 17.5 -9.9 269 278 A P G > S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.742 72.0 74.3 -71.2 -14.7 2.0 16.6 -7.2 270 279 A E G 3 S+ 0 0 130 1,-0.3 4,-0.3 2,-0.1 -5,-0.1 0.745 90.3 60.7 -63.1 -21.1 2.2 20.3 -6.3 271 280 A R G <> S+ 0 0 86 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.498 76.4 95.8 -79.7 -4.8 -1.3 19.7 -4.7 272 281 A I H <> S+ 0 0 3 -3,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.902 80.8 51.1 -62.6 -38.7 0.1 17.1 -2.3 273 282 A P H > S+ 0 0 68 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.913 114.1 44.9 -62.2 -36.0 0.6 19.6 0.6 274 283 A A H > S+ 0 0 51 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.913 111.9 52.2 -69.6 -38.6 -3.0 20.7 0.2 275 284 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.859 105.2 56.8 -64.7 -37.1 -4.2 17.1 -0.1 276 285 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.920 107.2 47.9 -54.9 -47.8 -2.4 16.4 3.1 277 286 A E H X S+ 0 0 45 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.859 112.5 48.2 -61.6 -40.6 -4.4 19.1 4.9 278 287 A E H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.813 109.7 51.9 -76.7 -31.1 -7.7 17.8 3.5 279 288 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.899 107.0 54.8 -65.7 -40.4 -6.8 14.2 4.5 280 289 A L H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.832 111.5 44.7 -60.4 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