==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-MAY-13 4KPA . COMPND 2 MOLECULE: CYTOCHROME P450 BM-3; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR G.A.AMADEO,J.CATALANO,A.E.MCDERMOTT,L.TONG . 461 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 1 2 0 0 2 0 1 1 2 1 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 Y 0 0 265 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 28.8 4.6 22.2 2 -4 A F - 0 0 188 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.330 360.0-151.4 -58.6 136.5 31.5 4.9 24.8 3 -3 A Q + 0 0 165 3,-0.0 -1,-0.1 340,-0.0 3,-0.1 0.200 49.7 123.6 -99.7 15.0 34.8 5.9 23.1 4 -2 A G S S- 0 0 32 1,-0.1 340,-0.1 2,-0.1 344,-0.0 -0.233 74.9 -75.0 -71.5 167.6 37.3 4.4 25.5 5 -1 A A - 0 0 16 1,-0.1 -1,-0.1 338,-0.1 343,-0.1 -0.249 37.7-129.9 -56.8 146.0 40.0 1.9 24.4 6 0 A M S S+ 0 0 179 341,-0.6 2,-0.4 1,-0.2 -1,-0.1 0.922 93.3 20.2 -66.1 -44.4 38.7 -1.6 23.7 7 1 A T - 0 0 54 340,-0.7 2,-0.4 2,-0.0 -1,-0.2 -0.992 68.3-174.9-129.0 134.9 41.3 -3.3 25.9 8 2 A I + 0 0 100 -2,-0.4 2,-0.2 -3,-0.1 341,-0.1 -0.975 6.7 177.9-135.2 121.6 43.4 -1.6 28.7 9 3 A K - 0 0 156 339,-0.4 -2,-0.0 -2,-0.4 339,-0.0 -0.675 46.6 -62.9-116.2 169.9 46.2 -3.4 30.7 10 4 A E - 0 0 187 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 -0.205 54.9-118.9 -51.9 133.3 48.6 -2.3 33.4 11 5 A M - 0 0 44 -3,-0.1 -1,-0.1 1,-0.1 35,-0.1 -0.683 31.7-117.5 -76.8 121.3 50.9 0.6 32.1 12 6 A P + 0 0 42 0, 0.0 35,-2.5 0, 0.0 -1,-0.1 -0.305 44.6 166.8 -58.4 150.0 54.5 -0.7 32.4 13 7 A Q - 0 0 60 33,-0.2 35,-0.1 35,-0.0 3,-0.1 -0.911 31.5-118.4-165.1 136.6 56.6 1.4 34.8 14 8 A P - 0 0 17 0, 0.0 11,-0.0 0, 0.0 33,-0.0 -0.137 56.6 -59.3 -73.6 172.8 60.0 1.0 36.4 15 9 A K - 0 0 143 7,-0.1 10,-0.3 1,-0.1 2,-0.2 -0.189 53.3-150.2 -56.8 137.8 60.6 0.8 40.2 16 10 A T - 0 0 73 -3,-0.1 6,-0.2 8,-0.1 2,-0.1 -0.650 5.6-147.4-104.3 168.0 59.4 3.7 42.2 17 11 A F > - 0 0 81 4,-1.6 3,-1.6 1,-0.4 2,-0.1 -0.575 47.1 -87.2-136.4 69.2 60.9 5.0 45.5 18 12 A G G > S- 0 0 58 1,-0.3 3,-1.8 2,-0.2 -1,-0.4 -0.381 102.9 -9.6 66.8-141.6 58.3 6.5 47.7 19 13 A E G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.577 131.6 67.8 -69.4 -9.8 57.5 10.2 47.2 20 14 A L G X S- 0 0 63 -3,-1.6 3,-1.9 1,-0.2 -1,-0.3 0.474 84.2-171.0 -86.7 -4.1 60.6 10.3 44.9 21 15 A K T < - 0 0 70 -3,-1.8 -4,-1.6 1,-0.3 -1,-0.2 -0.183 63.6 -22.4 49.6-133.6 58.7 8.1 42.4 22 16 A N T > S+ 0 0 0 27,-1.9 3,-1.6 -6,-0.2 4,-0.4 0.518 107.9 106.1 -86.0 -5.2 61.1 7.0 39.6 23 17 A L G X S+ 0 0 16 -3,-1.9 3,-2.7 26,-0.5 -1,-0.2 0.881 71.9 59.5 -40.1 -55.7 63.5 9.8 40.1 24 18 A P G > S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 0.824 89.9 72.0 -45.3 -37.8 66.2 7.6 41.7 25 19 A L G < S+ 0 0 41 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.695 99.3 47.2 -55.1 -20.0 66.4 5.4 38.6 26 20 A L G < + 0 0 21 -3,-2.7 2,-2.3 -4,-0.4 -1,-0.3 -0.150 66.6 134.6-116.2 37.8 68.2 8.3 36.8 27 21 A N < + 0 0 127 -3,-1.9 2,-0.3 3,-0.1 -4,-0.0 -0.601 55.2 94.4 -82.0 75.9 70.7 9.1 39.5 28 22 A T S S- 0 0 56 -2,-2.3 167,-0.0 164,-0.0 -2,-0.0 -0.980 83.3-123.1-164.2 159.3 73.3 9.2 36.7 29 23 A D S S+ 0 0 103 -2,-0.3 410,-0.6 1,-0.2 3,-0.1 0.375 109.0 60.1 -92.8 5.1 75.1 11.6 34.3 30 24 A K > + 0 0 57 1,-0.1 4,-1.8 408,-0.1 -1,-0.2 -0.489 62.2 154.9-127.4 61.2 73.9 9.4 31.4 31 25 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.858 70.6 51.3 -59.3 -40.3 70.1 9.7 31.9 32 26 A V H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.948 109.8 49.8 -66.5 -44.0 69.1 9.0 28.2 33 27 A Q H > S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.880 110.4 50.8 -60.6 -37.5 71.2 5.9 28.1 34 28 A A H X S+ 0 0 27 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.902 108.4 52.4 -66.4 -41.0 69.6 4.6 31.3 35 29 A L H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.829 104.4 57.3 -61.7 -33.4 66.1 5.3 29.9 36 30 A M H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.865 106.0 49.2 -63.6 -40.0 67.1 3.2 26.8 37 31 A K H X S+ 0 0 126 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.904 110.3 51.0 -65.7 -42.0 67.9 0.2 29.1 38 32 A I H X S+ 0 0 9 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.895 109.8 50.0 -62.4 -38.9 64.5 0.7 30.8 39 33 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.852 106.3 55.8 -67.1 -35.7 62.9 0.7 27.3 40 34 A D H < S+ 0 0 113 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.918 116.4 37.8 -60.5 -43.7 64.7 -2.5 26.5 41 35 A E H < S+ 0 0 126 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.941 125.9 33.4 -71.5 -52.7 63.2 -4.1 29.6 42 36 A L H < S- 0 0 57 -4,-3.3 3,-0.3 1,-0.2 -3,-0.2 0.575 99.3-137.3 -88.1 -15.4 59.7 -2.6 29.6 43 37 A G < - 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.522 53.2 -11.6 101.8-162.8 58.8 -2.2 25.9 44 38 A E S S+ 0 0 46 -2,-0.2 15,-2.3 15,-0.1 16,-0.9 0.621 125.5 18.6 -56.9 -16.5 57.3 0.3 23.5 45 39 A I E +A 58 0A 2 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.986 59.8 167.4-159.7 141.8 55.9 2.4 26.3 46 40 A F E -A 57 0A 0 11,-1.3 11,-2.6 -2,-0.3 2,-0.3 -0.973 31.8-117.4-154.0 150.1 56.4 3.1 30.1 47 41 A K E -A 56 0A 60 -35,-2.5 2,-0.4 -2,-0.3 9,-0.2 -0.622 24.6-169.0 -86.8 142.6 55.3 5.7 32.6 48 42 A F E -A 55 0A 9 7,-2.7 7,-2.4 -2,-0.3 2,-0.3 -0.986 6.3-175.0-135.6 122.0 58.0 7.8 34.4 49 43 A E E +A 54 0A 45 -2,-0.4 -27,-1.9 5,-0.2 -26,-0.5 -0.900 10.4 176.2-118.9 147.5 57.1 9.9 37.3 50 44 A A E > -A 53 0A 3 3,-2.0 3,-2.4 -2,-0.3 -29,-0.1 -0.878 58.0 -65.6-136.2 162.7 59.1 12.4 39.4 51 45 A P T 3 S+ 0 0 55 0, 0.0 -31,-0.1 0, 0.0 3,-0.0 -0.336 125.9 7.9 -54.1 137.1 57.6 14.5 42.2 52 46 A G T 3 S+ 0 0 92 1,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.411 123.9 64.9 71.9 0.6 55.1 16.9 40.7 53 47 A R E < -A 50 0A 71 -3,-2.4 -3,-2.0 2,-0.0 2,-0.3 -0.993 49.1-171.6-154.7 159.2 55.2 15.3 37.1 54 48 A V E +A 49 0A 45 -2,-0.3 302,-0.5 -5,-0.2 2,-0.3 -0.991 10.0 166.7-151.0 144.1 54.5 12.4 34.9 55 49 A T E -A 48 0A 10 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.5 -0.942 28.9-125.8-148.3 167.0 55.2 11.4 31.3 56 50 A R E -Ab 47 357A 22 300,-0.9 302,-2.9 -2,-0.3 2,-0.5 -0.976 20.0-143.4-123.2 118.8 55.2 8.3 29.1 57 51 A Y E -Ab 46 358A 24 -11,-2.6 -11,-1.3 -2,-0.5 2,-0.4 -0.721 15.2-157.6 -82.8 125.2 58.3 7.3 27.1 58 52 A L E +Ab 45 359A 0 300,-3.3 302,-2.7 -2,-0.5 306,-0.2 -0.847 23.2 164.0-104.3 134.5 57.6 5.9 23.7 59 53 A S + 0 0 10 -15,-2.3 2,-0.3 -2,-0.4 307,-0.3 0.495 48.9 85.4-125.4 -12.7 60.1 3.7 21.8 60 54 A S > - 0 0 13 -16,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.724 68.8-136.2-100.1 149.0 58.1 2.0 19.0 61 55 A Q H > S+ 0 0 21 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.860 104.8 63.5 -61.7 -33.5 57.4 3.3 15.5 62 56 A R H > S+ 0 0 82 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.940 112.8 31.9 -57.3 -49.9 53.8 2.1 16.0 63 57 A L H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 3,-0.5 0.897 116.7 56.5 -76.7 -39.1 53.1 4.4 18.8 64 58 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.858 99.2 58.9 -65.4 -33.4 55.4 7.3 17.6 65 59 A K H < S+ 0 0 100 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.5 45.5 -63.4 -35.6 53.7 7.6 14.3 66 60 A E H >< S+ 0 0 44 -4,-0.7 3,-2.1 -3,-0.5 -1,-0.2 0.912 109.1 54.7 -71.0 -43.7 50.4 8.3 16.1 67 61 A A H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.791 101.8 60.7 -58.3 -28.7 52.1 10.7 18.5 68 62 A C T 3< S+ 0 0 5 -4,-1.8 2,-1.1 -5,-0.2 -1,-0.3 0.409 73.7 111.7 -81.6 3.8 53.4 12.6 15.4 69 63 A D X> - 0 0 61 -3,-2.1 4,-2.2 1,-0.2 3,-1.9 -0.681 56.4-161.0 -79.1 103.1 49.8 13.3 14.3 70 64 A E T 34 S+ 0 0 86 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.674 85.8 63.8 -61.1 -20.1 49.7 17.1 14.8 71 65 A S T 34 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.735 116.7 30.4 -76.4 -18.0 45.9 17.1 14.9 72 66 A R T <4 S+ 0 0 59 -3,-1.9 268,-2.8 1,-0.3 269,-0.6 0.685 125.9 31.6-109.1 -25.7 46.1 15.0 18.0 73 67 A F E < -C 339 0A 4 -4,-2.2 2,-0.3 266,-0.2 -1,-0.3 -0.992 59.4-165.6-139.7 143.9 49.3 16.0 19.7 74 68 A D E -C 338 0A 12 264,-2.0 264,-2.0 -2,-0.4 2,-0.1 -0.817 42.2 -77.4-123.9 161.0 51.3 19.2 19.9 75 69 A K E -C 337 0A 31 -2,-0.3 22,-0.5 262,-0.2 262,-0.3 -0.410 47.3-162.1 -60.7 134.5 54.9 19.9 21.0 76 70 A N E -C 336 0A 7 260,-2.6 2,-0.9 281,-0.2 260,-0.6 -0.778 22.7-119.4-111.2 153.0 55.3 19.9 24.8 77 71 A L - 0 0 0 -2,-0.3 260,-0.1 258,-0.1 17,-0.1 -0.873 32.3-143.6 -95.2 108.4 58.2 21.4 26.7 78 72 A S > - 0 0 15 -2,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.120 33.1 -96.9 -58.8 164.5 59.7 18.5 28.6 79 73 A Q H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.895 128.4 57.5 -53.6 -38.3 61.1 19.3 32.1 80 74 A A H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 107.2 44.2 -57.6 -51.0 64.5 19.6 30.4 81 75 A L H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.850 107.1 61.4 -67.1 -30.1 63.3 22.2 27.9 82 76 A K H X S+ 0 0 74 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.926 106.4 46.2 -61.3 -38.8 61.5 24.0 30.8 83 77 A F H >< S+ 0 0 35 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.896 112.3 49.5 -70.7 -36.1 64.9 24.4 32.4 84 78 A V H >X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 3,-1.9 0.875 99.7 67.9 -67.9 -32.9 66.5 25.6 29.2 85 79 A R H 3X S+ 0 0 64 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.718 82.2 75.1 -59.9 -24.4 63.7 28.1 28.7 86 80 A D H << S+ 0 0 99 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.848 116.4 17.5 -59.1 -34.2 65.0 30.0 31.7 87 81 A F H <4 S+ 0 0 4 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.555 131.4 46.6-111.6 -15.0 67.8 31.4 29.5 88 82 A A H >< S+ 0 0 5 -4,-2.2 3,-2.0 1,-0.2 6,-0.3 0.458 85.3 179.7-104.1 -2.5 66.5 30.7 26.0 89 83 A G T 3< - 0 0 9 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.018 62.7 -17.1 45.0-134.3 63.0 32.1 26.8 90 84 A D T 3 S+ 0 0 21 5,-0.1 -1,-0.2 3,-0.1 5,-0.2 -0.108 93.8 138.2 -98.8 40.6 60.5 32.1 24.1 91 85 A G S <> S- 0 0 0 -3,-2.0 4,-0.6 169,-0.1 3,-0.2 -0.144 75.1 -85.9 -65.9 175.5 63.0 31.6 21.3 92 86 A L T >4 S+ 0 0 18 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.873 125.0 46.3 -58.8 -38.1 62.0 29.1 18.6 93 87 A F T 34 S+ 0 0 92 1,-0.2 -1,-0.2 -5,-0.1 -8,-0.1 0.863 120.1 35.4 -73.8 -38.1 63.2 25.9 20.4 94 88 A T T 34 S+ 0 0 0 -6,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.130 93.9 103.2-107.5 21.2 61.8 26.6 23.8 95 89 A S S << S- 0 0 0 -4,-0.6 2,-0.2 -3,-0.5 -5,-0.1 -0.684 73.1-113.2-100.3 154.9 58.5 28.4 23.0 96 90 A W > - 0 0 73 -2,-0.2 3,-1.8 1,-0.1 6,-0.3 -0.621 26.5-120.2 -80.7 147.2 55.0 26.8 23.2 97 91 A T T 3 S+ 0 0 13 -22,-0.5 6,-0.4 1,-0.3 -1,-0.1 0.847 116.4 45.6 -55.4 -37.4 53.3 26.4 19.8 98 92 A H T 3 S+ 0 0 139 4,-0.1 2,-0.4 5,-0.1 -1,-0.3 0.371 87.3 109.7 -89.7 5.1 50.5 28.7 21.0 99 93 A E S X> S- 0 0 44 -3,-1.8 3,-2.4 1,-0.1 4,-0.7 -0.684 78.8-120.9 -83.4 129.4 52.9 31.2 22.5 100 94 A K H 3> S+ 0 0 128 -2,-0.4 4,-1.5 1,-0.3 5,-0.2 0.828 106.6 50.9 -37.1 -56.4 52.8 34.5 20.5 101 95 A N H 3> S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.654 96.7 70.9 -65.7 -14.2 56.4 34.6 19.5 102 96 A W H <> S+ 0 0 8 -3,-2.4 4,-2.9 -6,-0.3 5,-0.2 0.999 107.4 31.7 -66.1 -61.4 56.6 31.0 18.2 103 97 A K H X S+ 0 0 71 -4,-0.7 4,-2.5 -6,-0.4 5,-0.2 0.888 120.8 54.2 -61.4 -38.9 54.5 31.5 15.0 104 98 A K H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.968 113.9 38.4 -61.8 -55.3 55.7 35.1 14.7 105 99 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.893 113.5 58.8 -63.6 -35.5 59.4 34.2 14.8 106 100 A H H X S+ 0 0 31 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.937 109.3 42.8 -56.9 -47.7 58.7 31.1 12.7 107 101 A N H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.7 47.6 -66.6 -39.8 57.2 33.1 9.9 108 102 A I H < S+ 0 0 6 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.890 120.1 35.8 -71.3 -37.0 60.0 35.8 10.0 109 103 A L H >< S+ 0 0 0 -4,-3.1 3,-1.4 -5,-0.2 4,-0.3 0.704 91.0 84.6 -94.7 -17.4 62.9 33.3 10.1 110 104 A L G >< S+ 0 0 83 -4,-2.1 3,-2.5 -5,-0.3 -1,-0.2 0.872 84.9 61.3 -53.2 -40.1 61.9 30.4 7.9 111 105 A P G > S+ 0 0 66 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.851 91.2 68.9 -58.7 -28.3 63.1 32.2 4.7 112 106 A S G < S+ 0 0 2 -3,-1.4 -2,-0.2 1,-0.3 125,-0.1 0.648 102.6 46.7 -65.7 -7.7 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81.0 30.8 4.4 125 119 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 109.8 50.2 -63.7 -39.3 80.6 27.2 5.4 126 120 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.871 104.1 60.1 -63.7 -37.8 83.6 26.5 3.1 127 121 A D H X S+ 0 0 26 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.959 111.3 38.1 -55.4 -50.8 85.5 29.3 4.8 128 122 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.885 113.9 56.7 -72.0 -32.8 85.3 27.5 8.2 129 123 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 105.0 51.5 -63.3 -40.8 85.8 24.0 6.7 130 124 A V H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.893 107.1 54.2 -62.9 -37.5 89.1 25.2 5.1 131 125 A Q H X S+ 0 0 23 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.919 108.4 49.1 -63.8 -39.7 90.2 26.4 8.6 132 126 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.960 112.9 46.3 -61.4 -51.9 89.4 23.0 10.0 133 127 A V H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 112.2 50.6 -57.2 -46.9 91.4 21.2 7.2 134 128 A Q H X S+ 0 0 68 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.865 105.5 56.8 -62.1 -36.8 94.4 23.6 7.6 135 129 A K H < S+ 0 0 63 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.965 112.7 40.6 -58.2 -50.2 94.5 23.0 11.3 136 130 A W H >< S+ 0 0 8 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.857 110.3 56.8 -67.0 -37.9 94.9 19.3 10.8 137 131 A E H 3< S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.855 107.3 53.9 -59.5 -32.0 97.3 19.7 7.9 138 132 A R T 3< S+ 0 0 175 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.327 80.8 112.5 -89.1 7.5 99.5 21.7 10.3 139 133 A L < - 0 0 55 -3,-1.4 2,-0.1 -4,-0.1 6,-0.0 -0.486 65.7-119.4 -79.1 150.5 99.8 19.3 13.2 140 134 A N > - 0 0 102 -2,-0.2 3,-1.9 4,-0.1 -1,-0.1 -0.362 31.5 -94.0 -84.6 168.9 103.2 17.7 13.9 141 135 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.864 121.7 51.1 -46.5 -51.6 104.1 14.0 13.9 142 136 A D T 3 S+ 0 0 124 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.205 97.3 103.5 -76.0 17.8 103.5 13.4 17.6 143 137 A E < - 0 0 66 -3,-1.9 2,-0.3 0, 0.0 -4,-0.1 -0.650 45.5-170.7-112.9 161.1 100.0 14.9 17.5 144 138 A H - 0 0 81 -2,-0.2 2,-0.4 307,-0.1 307,-0.2 -0.853 24.9-108.5-136.9 173.9 96.4 13.9 17.5 145 139 A I E -E 450 0B 1 305,-3.1 305,-1.4 -2,-0.3 2,-1.1 -0.879 11.1-145.3-108.5 132.1 93.0 15.5 17.1 146 140 A E E > -E 449 0B 95 -2,-0.4 4,-2.4 303,-0.2 5,-0.2 -0.860 27.1-161.0 -92.3 100.1 90.4 16.0 19.9 147 141 A V H > S+ 0 0 0 301,-1.6 4,-2.6 -2,-1.1 5,-0.3 0.931 78.3 40.0 -54.3 -63.2 87.4 15.3 17.6 148 142 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.902 115.3 55.4 -56.9 -38.2 84.3 16.8 19.4 149 143 A E H > S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.947 113.1 40.6 -59.4 -49.5 86.5 19.8 20.4 150 144 A D H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.815 112.6 54.3 -70.3 -30.4 87.4 20.5 16.8 151 145 A M H X S+ 0 0 1 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.872 109.0 50.4 -71.2 -33.2 83.9 19.8 15.5 152 146 A T H X S+ 0 0 12 -4,-2.3 4,-2.1 -5,-0.3 5,-0.4 0.844 106.5 53.5 -69.7 -35.5 82.6 22.3 18.0 153 147 A R H X S+ 0 0 14 -4,-1.5 4,-1.4 -5,-0.2 17,-0.3 0.924 114.9 43.9 -63.6 -43.0 85.2 24.9 16.8 154 148 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 115.5 43.8 -69.4 -45.6 83.8 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164 A S G > + 0 0 5 -17,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.802 69.1 61.5 -65.6 -27.6 87.5 29.3 17.5 171 165 A F G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -18,-0.2 -2,-0.1 0.484 96.3 61.2 -79.4 -1.1 90.5 27.9 15.5 172 166 A Y G < S+ 0 0 176 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 0.157 96.9 73.2-101.7 10.5 92.6 30.8 16.9 173 167 A R < - 0 0 91 -3,-1.3 4,-0.1 1,-0.1 -4,-0.0 -0.989 62.3-160.2-126.1 134.0 92.0 29.5 20.5 174 168 A D S S+ 0 0 152 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.688 82.4 53.4 -90.1 -15.6 93.6 26.5 21.9 175 169 A Q S S- 0 0 152 1,-0.1 -2,-0.0 -26,-0.0 0, 0.0 -0.776 109.1 -76.8-108.0 161.4 91.0 26.1 24.7 176 170 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.123 58.3 -92.6 -50.3 149.1 87.2 26.0 24.0 177 171 A H >> - 0 0 13 1,-0.1 4,-1.8 -4,-0.1 3,-0.8 -0.403 36.1-118.3 -63.2 143.2 85.6 29.4 23.2 178 172 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.850 115.0 58.4 -50.9 -41.0 84.3 31.0 26.5 179 173 A F H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 105.0 50.2 -58.1 -40.0 80.7 30.8 25.1 180 174 A I H <> S+ 0 0 14 -3,-0.8 4,-3.1 2,-0.2 5,-0.3 0.903 108.6 52.1 -66.3 -43.9 81.1 27.1 24.8 181 175 A T H X S+ 0 0 57 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.916 114.5 40.8 -61.0 -43.4 82.3 26.6 28.3 182 176 A S H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.871 115.1 52.8 -73.0 -35.7 79.4 28.6 29.8 183 177 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.939 110.7 46.5 -64.0 -47.1 76.9 26.9 27.4 184 178 A V H X S+ 0 0 39 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.951 114.0 48.5 -62.0 -43.9 78.1 23.4 28.3 185 179 A R H X S+ 0 0 94 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.912 111.4 50.5 -61.9 -38.9 77.9 24.3 32.0 186 180 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.908 112.7 44.4 -67.2 -41.5 74.5 25.7 31.6 187 181 A L H X S+ 0 0 10 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.889 111.7 54.1 -68.1 -37.6 73.1 22.6 29.8 188 182 A D H X S+ 0 0 48 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.907 109.2 48.4 -63.9 -39.2 74.8 20.4 32.3 189 183 A E H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.899 109.7 51.5 -66.2 -40.0 73.0 22.3 35.1 190 184 A A H < S+ 0 0 0 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.949 113.7 45.9 -61.9 -43.7 69.6 22.0 33.3 191 185 A M H >< S+ 0 0 7 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.937 111.9 49.5 -64.8 -47.8 70.3 18.3 33.0 192 186 A N H >< S+ 0 0 44 -4,-2.9 3,-1.8 1,-0.3 4,-0.2 0.834 101.3 64.0 -62.2 -33.2 71.4 17.9 36.7 193 187 A K G >< S+ 0 0 24 -4,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.713 86.0 75.2 -62.9 -18.8 68.3 19.8 37.9 194 188 A L G < S+ 0 0 41 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.767 100.1 42.4 -64.6 -23.2 66.2 17.0 36.5 195 189 A Q G < S+ 0 0 75 -3,-1.8 2,-1.0 -4,-0.3 -1,-0.2 0.334 86.0 108.5-105.8 8.4 67.3 14.8 39.5 196 190 A R < - 0 0 17 -3,-1.2 4,-0.1 -4,-0.2 -3,-0.0 -0.718 44.9-172.0 -88.8 103.0 67.0 17.5 42.2 197 191 A A S S+ 0 0 38 -2,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.896 88.5 29.3 -58.7 -39.5 64.0 16.6 44.4 198 192 A N > + 0 0 117 1,-0.1 3,-2.2 2,-0.0 -1,-0.3 -0.643 69.0 171.8-126.1 77.6 64.3 19.9 46.3 199 193 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.649 76.5 61.1 -55.1 -23.2 65.9 22.5 43.8 200 194 A D T 3 S+ 0 0 131 -3,-0.1 5,-0.0 -4,-0.1 -3,-0.0 0.509 71.2 116.2 -91.4 -2.7 65.3 25.2 46.3 201 195 A D S X S- 0 0 76 -3,-2.2 3,-2.1 1,-0.2 4,-0.1 -0.354 76.9-120.2 -61.1 145.6 67.4 23.9 49.1 202 196 A P G > S+ 0 0 93 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.585 105.9 83.2 -66.4 -8.8 70.3 26.4 49.8 203 197 A A G 3 S+ 0 0 69 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.717 91.0 49.7 -66.2 -15.8 72.6 23.5 49.0 204 198 A Y G <> S+ 0 0 62 -3,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.327 78.7 102.9-104.2 8.6 72.1 24.5 45.3 205 199 A D H <> S+ 0 0 88 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.865 81.4 48.7 -57.8 -40.4 72.8 28.1 45.8 206 200 A E H > S+ 0 0 111 -4,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.890 110.2 53.7 -66.8 -40.3 76.3 27.9 44.3 207 201 A N H > S+ 0 0 57 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.954 111.2 45.0 -57.0 -48.3 74.8 26.0 41.4 208 202 A K H X S+ 0 0 66 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 111.4 53.3 -63.1 -42.4 72.3 28.8 40.8 209 203 A R H X S+ 0 0 111 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.927 112.0 44.1 -55.3 -50.6 75.1 31.4 41.2 210 204 A Q H X S+ 0 0 41 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-4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.877 106.1 50.3 -70.0 -38.1 77.5 39.2 26.8 221 215 A L H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 107.6 54.3 -66.7 -34.9 78.4 37.5 23.5 222 216 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.940 106.8 50.7 -62.4 -47.6 74.9 38.2 22.2 223 217 A D H X S+ 0 0 63 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.930 108.9 52.4 -55.5 -44.1 75.4 41.9 23.0 224 218 A K H X S+ 0 0 110 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.897 108.8 49.2 -60.5 -40.5 78.7 41.8 21.1 225 219 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.914 114.5 45.0 -63.7 -41.9 77.1 40.3 18.0 226 220 A I H X S+ 0 0 26 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.880 115.0 46.5 -68.6 -43.5 74.3 42.9 18.1 227 221 A A H X S+ 0 0 54 -4,-3.0 4,-1.6 1,-0.2 3,-0.3 0.904 110.8 53.5 -65.6 -43.5 76.8 45.8 18.6 228 222 A D H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.823 105.2 54.6 -63.6 -29.3 79.0 44.4 15.9 229 223 A R H < S+ 0 0 48 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 108.6 48.7 -73.2 -30.4 76.0 44.4 13.5 230 224 A K H < 0 0 177 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.793 360.0 360.0 -76.5 -26.2 75.5 48.1 14.2 231 225 A A < 0 0 117 -4,-1.6 -3,-0.1 -5,-0.1 -4,-0.0 0.166 360.0 360.0 -96.6 360.0 79.3 48.7 13.6 232 ! 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 0.0 233 229 A Q 0 0 231 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 158.9 75.9 45.0 5.1 234 230 A S - 0 0 41 2,-0.1 2,-0.4 -70,-0.0 -70,-0.0 -0.959 360.0-138.2-158.2 166.6 74.4 41.5 4.9 235 231 A D + 0 0 122 -2,-0.3 2,-0.2 4,-0.0 3,-0.0 -0.824 55.7 121.7-135.0 88.0 71.2 39.7 4.5 236 232 A D S > S- 0 0 8 -2,-0.4 4,-2.6 -73,-0.1 5,-0.2 -0.684 78.3 -65.4-134.8-169.6 71.2 36.8 7.0 237 233 A L H > S+ 0 0 1 -75,-0.5 4,-2.5 1,-0.3 5,-0.2 0.923 132.9 48.1 -47.1 -53.0 69.5 35.3 9.9 238 234 A L H > S+ 0 0 0 -75,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.879 108.2 55.5 -59.1 -39.5 70.3 38.3 12.1 239 235 A T H > S+ 0 0 19 -76,-0.3 4,-2.6 1,-0.2 5,-0.4 0.919 110.9 45.5 -59.0 -44.5 69.2 40.7 9.3 240 236 A H H X S+ 0 0 43 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.869 109.5 54.1 -67.7 -35.5 65.8 38.9 9.3 241 237 A M H < S+ 0 0 0 -4,-2.5 12,-0.5 -5,-0.2 -1,-0.2 0.908 116.3 39.5 -64.5 -40.3 65.6 39.0 13.1 242 238 A L H < S+ 0 0 65 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.848 133.7 17.2 -77.1 -35.8 66.1 42.7 13.1 243 239 A N H < S+ 0 0 111 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.715 89.0 112.7-113.5 -26.0 64.0 43.7 10.1 244 240 A G < - 0 0 17 -4,-1.9 2,-0.4 -5,-0.4 9,-0.4 -0.161 50.3-150.0 -55.0 141.6 61.7 40.9 9.2 245 241 A K - 0 0 138 7,-0.2 -1,-0.1 -137,-0.1 -2,-0.0 -0.947 20.9-115.5-117.6 134.6 58.0 41.5 9.7 246 242 A D B >> -F 251 0C 4 5,-2.9 4,-3.7 -2,-0.4 5,-0.5 -0.520 18.8-145.9 -68.2 118.7 55.5 38.9 10.5 247 243 A P T 45S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -143,-0.0 0.514 98.5 52.1 -64.7 0.7 53.2 38.8 7.5 248 244 A E T 45S+ 0 0 127 3,-0.2 -2,-0.1 -144,-0.1 -144,-0.0 0.741 123.8 22.0-106.2 -29.9 50.4 37.9 10.0 249 245 A T T 45S- 0 0 43 -3,-0.4 -145,-0.0 2,-0.2 -4,-0.0 0.593 96.2-129.1-108.6 -17.2 50.9 40.7 12.5 250 246 A G T <5S+ 0 0 52 -4,-3.7 -5,-0.0 1,-0.2 0, 0.0 0.807 73.8 102.4 71.0 29.6 52.7 43.1 10.2 251 247 A E B < -F 246 0C 85 -5,-0.5 -5,-2.9 -147,-0.0 -1,-0.2 -0.996 66.5-122.3-146.8 151.1 55.4 43.6 12.8 252 248 A P - 0 0 51 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 -0.249 45.4 -81.1 -81.6 173.6 59.0 42.5 13.6 253 249 A L - 0 0 7 -12,-0.5 2,-0.1 -9,-0.4 -152,-0.0 -0.456 49.1-114.8 -74.0 146.6 60.2 40.7 16.7 254 250 A D > - 0 0 79 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.328 28.6-101.4 -79.7 169.1 60.9 42.8 19.7 255 251 A D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.841 119.2 54.0 -57.0 -37.1 64.3 43.3 21.3 256 252 A E H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.954 111.9 43.2 -65.5 -48.8 63.7 40.8 24.1 257 253 A N H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.867 107.7 59.6 -67.3 -34.0 62.8 38.0 21.8 258 254 A I H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.939 104.3 51.6 -57.5 -46.3 65.6 38.8 19.3 259 255 A R H X S+ 0 0 65 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.916 109.9 48.3 -59.1 -43.7 68.1 38.2 22.1 260 256 A Y H X S+ 0 0 61 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.885 109.7 53.7 -63.3 -37.7 66.5 34.8 22.9 261 257 A Q H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.907 108.2 49.4 -64.5 -37.4 66.5 33.9 19.2 262 258 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.941 112.8 46.1 -68.2 -43.0 70.3 34.6 19.0 263 259 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.919 114.4 51.1 -59.4 -46.2 71.0 32.5 22.1 264 260 A T H X S+ 0 0 9 -4,-2.7 4,-2.7 -5,-0.2 5,-0.5 0.928 112.2 43.4 -58.9 -49.6 68.8 29.8 20.6 265 261 A F H X S+ 0 0 13 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.816 110.5 55.0 -70.5 -28.8 70.4 29.7 17.2 266 262 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 5,-0.2 0.876 119.9 32.9 -71.0 -34.5 73.9 29.8 18.6 267 263 A I H >X S+ 0 0 21 -4,-1.8 4,-2.2 -5,-0.2 3,-1.7 0.963 127.2 36.2 -83.6 -61.1 73.2 26.8 20.7 268 264 A A H 3< S+ 0 0 38 -4,-2.7 4,-0.3 1,-0.3 5,-0.2 0.796 112.8 64.3 -61.3 -29.8 70.8 24.8 18.6 269 265 A G T 3< S+ 0 0 16 -4,-1.2 -1,-0.3 -5,-0.5 -2,-0.1 0.425 121.4 9.2 -77.2 -3.5 72.7 25.9 15.5 270 266 A H T <> S+ 0 0 0 -3,-1.7 4,-2.1 -112,-0.1 5,-0.2 0.580 106.8 74.0-142.0 -35.0 75.9 24.1 16.4 271 267 A E H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -3,-0.1 0.916 103.4 40.4 -56.3 -52.0 75.9 21.7 19.3 272 268 A T H > S+ 0 0 36 -5,-0.3 4,-2.8 -4,-0.3 -1,-0.2 0.811 113.3 55.6 -69.1 -29.3 74.0 18.8 17.8 273 269 A T H > S+ 0 0 7 2,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.888 107.1 50.3 -68.7 -38.4 75.9 19.2 14.5 274 270 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 111.4 48.9 -62.5 -47.5 79.2 18.9 16.4 275 271 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.955 110.7 50.6 -57.6 -49.5 77.8 15.7 18.0 276 272 A L H X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.929 110.4 48.2 -55.4 -48.2 76.7 14.3 14.6 277 273 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 112.7 50.6 -63.1 -37.1 80.1 15.0 13.0 278 274 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 112.1 44.7 -66.2 -45.5 81.8 13.3 16.0 279 275 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.902 111.6 53.8 -65.7 -40.7 79.6 10.2 15.9 280 276 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.885 111.1 44.5 -63.4 -39.0 80.0 9.9 12.2 281 277 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 5,-0.3 0.933 112.5 54.0 -68.5 -41.9 83.8 10.0 12.3 282 278 A Y H X S+ 0 0 31 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.925 112.3 43.5 -54.4 -48.5 83.7 7.5 15.3 283 279 A F H X S+ 0 0 19 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.866 111.4 54.5 -69.0 -34.3 81.6 5.2 13.3 284 280 A L H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.5 0.949 108.6 47.1 -65.0 -46.2 83.8 5.6 10.2 285 281 A V H 3< S+ 0 0 17 -4,-3.0 144,-0.2 1,-0.3 -1,-0.2 0.684 112.7 51.0 -71.3 -13.7 87.0 4.7 12.0 286 282 A K H 3< S+ 0 0 69 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.520 113.2 45.6 -95.8 -6.3 85.2 1.7 13.5 287 283 A N S XX S- 0 0 42 -3,-1.2 4,-2.0 -4,-0.6 3,-1.8 -0.550 70.3-179.1-137.3 68.1 84.0 0.4 10.1 288 284 A P H 3> S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.759 79.8 53.9 -36.3 -46.6 87.0 0.7 7.8 289 285 A H H 3> S+ 0 0 158 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.879 107.9 48.9 -66.7 -34.1 85.2 -0.5 4.8 290 286 A V H <> S+ 0 0 17 -3,-1.8 4,-2.6 2,-0.2 5,-0.2 0.949 110.9 52.5 -68.9 -40.4 82.4 2.1 5.2 291 287 A L H X S+ 0 0 26 -4,-2.0 4,-3.4 -7,-0.5 -2,-0.2 0.940 109.5 48.2 -57.8 -47.0 85.1 4.7 5.5 292 288 A Q H X S+ 0 0 115 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.926 110.8 49.9 -62.0 -44.7 86.8 3.6 2.3 293 289 A K H X S+ 0 0 86 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.914 115.2 44.3 -61.7 -39.4 83.6 3.6 0.4 294 290 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.913 112.5 52.2 -70.1 -41.4 82.8 7.1 1.7 295 291 A A H X S+ 0 0 25 -4,-3.4 4,-3.0 -5,-0.2 5,-0.2 0.945 107.4 53.7 -57.6 -47.0 86.4 8.2 1.0 296 292 A E H X S+ 0 0 105 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.881 108.1 48.9 -57.7 -40.6 86.1 6.9 -2.6 297 293 A E H X S+ 0 0 13 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.938 110.9 49.6 -67.5 -42.6 83.0 9.0 -3.2 298 294 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 111.9 48.8 -60.6 -44.3 84.6 12.1 -1.8 299 295 A A H < S+ 0 0 65 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.932 115.0 46.2 -59.6 -42.6 87.7 11.6 -4.0 300 296 A R H < S+ 0 0 162 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.855 122.1 32.7 -69.6 -36.5 85.4 11.0 -7.0 301 297 A V H < S+ 0 0 15 -4,-2.7 2,-2.1 1,-0.2 -2,-0.2 0.911 105.9 65.1 -89.6 -44.8 83.1 14.0 -6.4 302 298 A L < + 0 0 2 -4,-2.4 -1,-0.2 -5,-0.3 -4,-0.0 -0.463 57.0 148.4 -81.2 69.7 85.3 16.7 -4.9 303 299 A V + 0 0 103 -2,-2.1 -1,-0.2 -3,-0.2 -4,-0.1 0.492 49.6 77.4 -85.4 -2.2 87.5 17.2 -7.9 304 300 A D S S- 0 0 75 -3,-0.2 156,-0.1 1,-0.1 -3,-0.0 -0.576 93.9-105.6-105.6 166.7 88.1 20.9 -7.2 305 301 A P S S+ 0 0 74 0, 0.0 155,-0.7 0, 0.0 -1,-0.1 0.908 110.3 16.2 -54.3 -43.7 90.3 22.8 -4.8 306 302 A V S S- 0 0 36 153,-0.2 -3,-0.1 155,-0.1 155,-0.1 -0.987 96.8 -96.6-132.2 144.0 87.1 23.6 -2.7 307 303 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -181,-0.1 -0.262 32.1-142.0 -59.4 138.7 83.7 22.0 -2.9 308 304 A S > - 0 0 45 1,-0.1 4,-2.1 -182,-0.0 5,-0.2 -0.563 27.3-108.7 -92.3 166.5 81.0 23.6 -4.9 309 305 A Y H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.964 120.8 50.5 -59.7 -50.4 77.4 23.7 -3.7 310 306 A K H > S+ 0 0 145 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.901 107.1 53.2 -56.5 -43.9 76.4 21.2 -6.4 311 307 A Q H >> S+ 0 0 17 2,-0.2 3,-1.0 1,-0.2 4,-0.6 0.924 105.8 53.1 -59.1 -42.2 79.2 18.8 -5.5 312 308 A V H >< S+ 0 0 5 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.957 105.9 54.7 -58.2 -43.7 78.1 18.7 -1.8 313 309 A K H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.755 105.0 56.2 -59.7 -22.6 74.6 17.8 -3.1 314 310 A Q H << S+ 0 0 80 -3,-1.0 2,-2.8 -4,-1.0 3,-0.3 0.530 74.1 99.3 -88.8 -6.9 76.3 14.9 -4.9 315 311 A L + 0 0 113 -2,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.905 68.7 43.1 -57.4 -49.1 75.1 10.8 -1.6 317 313 A Y H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.867 110.9 56.1 -69.3 -34.5 76.9 8.1 0.4 318 314 A V H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.968 107.8 49.9 -60.2 -46.7 78.4 10.7 2.7 319 315 A G H X S+ 0 0 18 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.844 108.3 52.6 -57.9 -35.4 74.8 11.9 3.4 320 316 A M H X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.870 106.1 54.1 -69.6 -35.8 73.8 8.2 4.0 321 317 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 -3,-0.3 -2,-0.2 0.911 109.3 48.1 -59.7 -44.1 76.7 7.9 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