==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-AUG-11 3TKT . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR W.YANG,S.G.BELL,H.WANG,W.ZHOU,M.BARTLAM,L.-L.WONG,Z.RAO . 411 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.2 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 . 17 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 2 1 0 3 2 1 1 1 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 3 2 1 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 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 4 A I 0 0 144 0, 0.0 2,-0.1 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 98.6 20.9 45.1 147.0 2 5 A P - 0 0 43 0, 0.0 37,-2.6 0, 0.0 2,-0.4 -0.453 360.0-146.3 -64.8 141.0 17.9 46.8 145.2 3 6 A M B -a 39 0A 99 35,-0.2 37,-0.2 -2,-0.1 3,-0.1 -0.913 13.0-120.0-114.9 135.9 14.7 45.3 146.2 4 7 A V - 0 0 12 35,-2.4 37,-0.2 -2,-0.4 5,-0.0 -0.531 46.5 -96.3 -57.2 137.0 11.6 44.9 144.0 5 8 A P >> - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.358 38.3-112.3 -57.4 142.8 8.6 46.8 145.7 6 9 A A H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.831 113.9 51.2 -49.5 -45.8 6.5 44.3 147.7 7 10 A E H 3> S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 112.0 48.0 -60.9 -41.8 3.3 44.4 145.4 8 11 A V H <> S+ 0 0 13 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.931 107.8 53.8 -66.8 -44.4 5.5 43.7 142.4 9 12 A G H X S+ 0 0 11 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.910 112.2 46.2 -56.1 -43.1 7.3 40.8 144.1 10 13 A R H >< S+ 0 0 155 -4,-2.3 3,-0.5 -5,-0.2 4,-0.3 0.946 116.1 46.4 -59.3 -48.2 3.8 39.4 144.8 11 14 A A H >< S+ 0 0 4 -4,-2.7 3,-1.7 1,-0.2 6,-0.3 0.877 101.9 60.4 -67.4 -43.0 2.6 40.0 141.2 12 15 A V H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.756 110.8 42.0 -60.5 -28.7 5.6 38.7 139.2 13 16 A I T << S+ 0 0 36 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.399 92.6 102.0 -95.3 -2.2 5.2 35.2 140.6 14 17 A D X> - 0 0 61 -3,-1.7 3,-1.5 -4,-0.3 4,-0.7 -0.755 62.8-149.6 -92.1 122.5 1.4 35.1 140.4 15 18 A P H >> S+ 0 0 51 0, 0.0 3,-1.2 0, 0.0 4,-1.2 0.869 98.8 60.7 -53.1 -36.2 -0.1 33.1 137.5 16 19 A K H 3> S+ 0 0 133 1,-0.3 4,-2.2 379,-0.3 5,-0.2 0.727 91.8 66.4 -69.1 -20.6 -3.1 35.5 137.5 17 20 A S H <> S+ 0 0 9 -3,-1.5 4,-2.1 -6,-0.3 7,-0.4 0.830 103.6 46.6 -63.5 -29.7 -0.8 38.4 136.8 18 21 A Y H << S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.826 110.2 50.8 -84.4 -31.2 -0.1 36.8 133.4 19 22 A G H < S+ 0 0 17 -4,-1.2 374,-0.6 1,-0.2 -2,-0.2 0.916 116.9 41.7 -63.7 -43.9 -3.8 36.2 132.7 20 23 A T H < S+ 0 0 80 -4,-2.2 2,-2.3 1,-0.2 -2,-0.2 0.867 83.8 169.6 -70.8 -43.3 -4.5 39.8 133.5 21 24 A W X + 0 0 12 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 -0.386 55.4 69.2 72.9 -71.8 -1.4 41.0 131.6 22 25 A E H > S+ 0 0 108 -2,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.878 97.9 48.3 -52.7 -53.1 -1.9 44.9 131.5 23 26 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.923 112.2 50.9 -58.5 -39.7 -1.4 45.6 135.2 24 27 A L H > S+ 0 0 0 -7,-0.4 4,-2.5 -3,-0.2 -2,-0.2 0.929 106.3 54.8 -61.0 -44.1 1.8 43.5 135.2 25 28 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.932 108.1 49.7 -53.0 -47.8 3.1 45.4 132.1 26 29 A D H X S+ 0 0 94 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.892 107.6 53.4 -59.5 -42.9 2.7 48.7 134.0 27 30 A R H X S+ 0 0 63 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.910 108.7 50.3 -62.1 -38.1 4.5 47.3 137.0 28 31 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.880 105.1 57.1 -63.7 -37.0 7.4 46.4 134.7 29 32 A D H X S+ 0 0 58 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.955 113.6 39.6 -57.1 -47.9 7.5 49.9 133.2 30 33 A A H X S+ 0 0 66 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.913 120.1 44.9 -69.0 -44.6 8.0 51.3 136.7 31 34 A L H >X S+ 0 0 9 -4,-2.6 4,-3.1 -5,-0.2 3,-0.9 0.955 108.4 53.6 -65.7 -50.4 10.4 48.6 137.9 32 35 A R H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.6 50.5 -59.7 -32.9 12.7 48.4 134.9 33 36 A A H 3< S+ 0 0 78 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.799 119.7 34.9 -76.1 -30.6 13.4 52.1 134.9 34 37 A E H << S- 0 0 165 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.1 0.807 140.3 -1.2 -91.9 -36.8 14.4 52.2 138.6 35 38 A A < - 0 0 20 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 -0.478 55.4-178.6-162.5 77.9 16.1 48.9 139.1 36 39 A P S S+ 0 0 34 0, 0.0 18,-2.3 0, 0.0 19,-0.6 0.546 87.9 43.3 -62.1 -10.4 16.3 46.4 136.0 37 40 A V E S+ B 0 53A 5 16,-0.2 2,-0.4 17,-0.1 16,-0.2 -0.908 82.6 153.0-136.0 102.1 18.1 43.9 138.3 38 41 A A E - B 0 52A 0 14,-2.0 14,-3.2 -2,-0.4 2,-0.3 -0.988 43.1-108.6-141.7 146.5 16.3 43.7 141.6 39 42 A K E -aB 3 51A 42 -37,-2.6 -35,-2.4 -2,-0.4 2,-0.6 -0.522 20.6-156.5 -80.9 132.7 15.8 41.0 144.3 40 43 A V E + B 0 50A 1 10,-3.6 10,-1.7 -2,-0.3 2,-0.4 -0.956 18.5 172.8-108.2 121.9 12.5 39.3 144.9 41 44 A V - 0 0 74 -2,-0.6 7,-0.1 -37,-0.2 -32,-0.1 -0.999 28.7-129.7-129.7 126.1 12.1 37.9 148.4 42 45 A A > - 0 0 15 5,-0.5 3,-1.7 -2,-0.4 5,-0.1 -0.614 12.6-135.1 -75.7 126.9 8.8 36.5 149.7 43 46 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 0.903 107.9 33.0 -52.4 -37.2 7.6 37.9 153.1 44 47 A D T 3 S- 0 0 121 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.160 111.4-115.4-113.1 32.6 6.8 34.3 154.1 45 48 A D < + 0 0 93 -3,-1.7 36,-0.1 1,-0.1 3,-0.0 0.738 61.5 147.3 65.0 33.1 9.5 32.4 152.3 46 49 A E S S+ 0 0 76 34,-0.1 35,-3.0 35,-0.1 36,-0.4 0.583 72.4 27.3 -78.2 -12.3 7.2 30.4 149.9 47 50 A H S S- 0 0 4 33,-0.3 -5,-0.5 34,-0.1 33,-0.1 -0.982 92.3 -99.1-142.7 155.7 9.9 30.6 147.3 48 51 A E - 0 0 49 31,-0.4 31,-0.1 -2,-0.3 -8,-0.1 -0.453 53.7 -95.6 -65.3 147.1 13.7 30.9 147.2 49 52 A P + 0 0 40 0, 0.0 272,-0.4 0, 0.0 2,-0.3 -0.277 49.5 175.5 -63.3 151.0 14.9 34.4 146.6 50 53 A F E -B 40 0A 1 -10,-1.7 -10,-3.6 270,-0.1 2,-0.5 -0.980 33.7-109.9-149.3 159.6 15.8 35.5 143.0 51 54 A W E -Bc 39 322A 6 270,-2.2 272,-3.3 -2,-0.3 2,-0.6 -0.850 28.7-142.5 -87.6 125.5 16.9 38.5 140.9 52 55 A L E -Bc 38 323A 0 -14,-3.2 -14,-2.0 -2,-0.5 2,-0.6 -0.825 10.5-158.5 -84.5 118.8 14.2 39.7 138.6 53 56 A V E +Bc 37 324A 0 270,-2.7 272,-1.8 -2,-0.6 -16,-0.2 -0.926 21.1 166.5 -99.7 115.1 15.9 40.9 135.3 54 57 A S + 0 0 0 -18,-2.3 2,-0.3 -2,-0.6 -22,-0.2 0.422 40.6 80.4-117.9 -1.8 13.3 43.2 133.7 55 58 A S S > S- 0 0 10 -19,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.763 75.6-123.8-106.9 158.0 15.1 45.2 130.9 56 59 A F H > S+ 0 0 21 -2,-0.3 4,-2.8 273,-0.3 5,-0.2 0.941 114.4 50.5 -60.0 -48.2 15.8 44.1 127.4 57 60 A D H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.902 110.4 49.4 -61.0 -40.8 19.5 44.8 127.9 58 61 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 113.8 44.6 -64.3 -44.6 19.6 42.8 131.2 59 62 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 113.2 52.6 -68.4 -35.6 17.9 39.8 129.7 60 63 A M H X S+ 0 0 30 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.924 113.6 40.8 -67.6 -44.6 20.1 40.0 126.6 61 64 A K H X S+ 0 0 112 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.929 116.1 49.5 -72.5 -42.8 23.4 40.1 128.5 62 65 A A H < S+ 0 0 0 -4,-2.6 7,-0.2 -5,-0.2 -2,-0.2 0.900 112.3 50.5 -58.3 -40.5 22.3 37.5 131.0 63 66 A S H < S+ 0 0 0 -4,-2.4 295,-0.3 1,-0.2 296,-0.3 0.824 111.3 46.2 -68.2 -36.6 21.2 35.2 128.0 64 67 A K H < S+ 0 0 143 -4,-1.7 2,-1.6 1,-0.2 3,-0.2 0.722 96.8 74.8 -81.9 -25.0 24.4 35.5 126.1 65 68 A D >X + 0 0 60 -4,-1.7 4,-2.7 1,-0.2 3,-0.7 -0.508 52.3 156.4 -90.1 71.8 26.7 34.9 129.0 66 69 A N T 34 + 0 0 33 -2,-1.6 -1,-0.2 1,-0.2 40,-0.2 0.659 67.8 63.4 -73.7 -18.9 26.1 31.1 129.3 67 70 A A T 34 S+ 0 0 82 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.830 115.7 30.1 -68.4 -34.6 29.4 30.6 131.1 68 71 A T T <4 S+ 0 0 18 -3,-0.7 238,-3.0 1,-0.2 2,-0.7 0.813 118.2 55.2 -95.7 -35.2 28.2 32.8 134.0 69 72 A F E < S-D 305 0A 4 -4,-2.7 236,-0.2 236,-0.2 -1,-0.2 -0.861 77.5-165.3-110.8 104.0 24.5 32.1 134.0 70 73 A L E -D 304 0A 36 234,-3.1 234,-2.5 -2,-0.7 4,-0.2 -0.544 24.5-159.6 -97.9 150.5 23.8 28.4 134.2 71 74 A N S S+ 0 0 2 232,-0.2 34,-0.1 -2,-0.2 3,-0.1 0.669 83.7 57.7 -94.1 -23.3 20.6 26.3 133.5 72 75 A N S S+ 0 0 58 1,-0.2 24,-0.1 232,-0.1 4,-0.1 0.897 86.0 66.9 -84.8 -41.0 21.5 23.1 135.4 73 76 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.809 110.8 17.4 -57.8 -31.4 22.1 24.0 139.1 74 77 A K S S- 0 0 43 -4,-0.2 230,-0.1 -3,-0.1 228,-0.1 -0.932 105.3 -62.4-138.1 159.6 18.6 25.1 139.9 75 78 A S - 0 0 12 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.073 40.8-142.2 -39.6 134.3 15.1 24.7 138.5 76 79 A T S S+ 0 0 3 2,-0.1 226,-2.5 -4,-0.1 2,-0.4 0.553 84.8 52.8 -85.1 -9.0 15.0 26.3 135.1 77 80 A V S S- 0 0 42 224,-0.2 224,-0.1 246,-0.0 321,-0.1 -0.964 99.4 -97.2-125.5 146.8 11.5 27.6 135.7 78 81 A F + 0 0 9 -2,-0.4 2,-0.3 319,-0.1 319,-0.1 -0.321 52.0 166.0 -56.6 138.6 10.2 29.6 138.6 79 82 A T - 0 0 30 -31,-0.1 -31,-0.4 -4,-0.1 2,-0.1 -0.984 37.1-112.8-151.3 149.1 8.6 27.4 141.2 80 83 A L > - 0 0 86 -2,-0.3 4,-1.9 -33,-0.1 -33,-0.3 -0.397 43.9-100.7 -70.7 160.9 7.4 27.8 144.9 81 84 A R H > S+ 0 0 75 -35,-3.0 4,-2.0 1,-0.2 5,-0.2 0.876 123.2 56.1 -51.5 -41.7 9.4 25.7 147.5 82 85 A V H > S+ 0 0 114 -36,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.922 107.1 48.3 -59.3 -46.6 6.6 23.1 147.6 83 86 A G H > S+ 0 0 29 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.868 109.3 53.5 -61.0 -37.5 6.8 22.5 143.8 84 87 A E H X S+ 0 0 37 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.899 110.8 46.3 -64.3 -38.0 10.6 22.2 144.1 85 88 A M H X S+ 0 0 124 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 110.9 52.0 -67.9 -48.9 10.1 19.5 146.8 86 89 A M H X S+ 0 0 60 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.904 110.6 48.6 -51.0 -47.7 7.5 17.7 144.7 87 90 A A H X S+ 0 0 16 -4,-2.6 4,-1.4 1,-0.2 7,-0.2 0.909 112.7 47.8 -59.9 -45.9 10.0 17.7 141.7 88 91 A K H X>S+ 0 0 77 -4,-2.2 5,-2.2 2,-0.2 4,-1.2 0.829 110.7 50.1 -68.4 -34.9 12.8 16.3 143.8 89 92 A A H <5S+ 0 0 67 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.900 111.1 51.3 -67.5 -39.9 10.7 13.6 145.4 90 93 A I H <5S+ 0 0 23 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.784 122.0 30.3 -60.4 -34.9 9.5 12.6 141.8 91 94 A T H <5S- 0 0 51 -4,-1.4 -1,-0.2 3,-0.3 -2,-0.2 0.409 110.8-108.4-108.3 -6.4 13.1 12.3 140.5 92 95 A G T <5S- 0 0 76 -4,-1.2 -3,-0.2 1,-0.1 -4,-0.1 0.869 90.7 -25.1 71.9 35.3 15.1 11.3 143.6 93 96 A G S - 0 0 3 -2,-0.8 3,-2.1 143,-0.1 4,-0.5 -0.647 64.0 -62.1-126.1-174.7 16.7 17.5 128.7 101 104 A L G > S+ 0 0 15 1,-0.3 3,-1.8 -2,-0.2 12,-0.1 0.814 127.5 53.2 -35.1 -54.2 18.5 20.1 126.5 102 105 A V G 3 S+ 0 0 27 1,-0.3 -1,-0.3 257,-0.0 -3,-0.1 0.686 108.2 50.5 -68.4 -18.2 17.1 23.1 128.3 103 106 A Q G < S+ 0 0 27 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.378 97.7 89.2 -98.0 -1.3 18.2 22.0 131.8 104 107 A M < - 0 0 8 -3,-1.8 2,-0.3 -4,-0.5 -33,-0.1 -0.663 54.3-163.3 -98.1 154.1 21.8 21.2 130.7 105 108 A D >> - 0 0 30 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.753 40.9 -32.7-116.7 171.1 25.0 23.3 130.6 106 109 A A T 34 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.3 -36,-0.0 -0.253 113.4 29.4 -50.9 146.8 28.3 22.8 128.8 107 110 A P T 3> S+ 0 0 100 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 -0.988 131.4 34.6 -86.2 -13.5 30.0 20.6 128.0 108 111 A K H <> S+ 0 0 82 -3,-0.5 4,-1.9 1,-0.2 3,-0.3 0.912 110.8 63.4 -66.5 -39.8 27.0 18.2 127.7 109 112 A H H X S+ 0 0 5 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.905 102.1 44.6 -54.3 -56.4 24.5 20.8 126.3 110 113 A P H > S+ 0 0 53 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.829 109.6 57.8 -63.2 -29.0 26.2 21.8 123.1 111 114 A K H X S+ 0 0 55 -4,-0.9 4,-0.6 -3,-0.3 -2,-0.2 0.944 114.3 36.9 -63.8 -44.3 26.9 18.1 122.2 112 115 A L H >X S+ 0 0 6 -4,-1.9 3,-0.6 2,-0.2 4,-0.5 0.894 116.8 52.0 -75.1 -39.5 23.2 17.2 122.4 113 116 A R H >X S+ 0 0 32 -4,-2.8 3,-1.4 -5,-0.2 4,-0.8 0.934 103.0 58.4 -60.2 -49.2 22.0 20.5 120.9 114 117 A R H 3X S+ 0 0 154 -4,-2.5 4,-0.6 1,-0.3 3,-0.3 0.749 91.0 75.8 -53.3 -27.2 24.3 20.2 117.8 115 118 A L H << S+ 0 0 41 -3,-0.6 -1,-0.3 -4,-0.6 4,-0.2 0.863 110.0 22.5 -53.5 -42.3 22.6 16.9 117.1 116 119 A T H < S+ 0 0 133 -4,-0.6 3,-1.7 1,-0.2 6,-0.4 0.917 109.5 54.6 -61.3 -45.4 20.9 21.2 111.0 119 122 A W T 34 S+ 0 0 15 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.848 105.7 53.9 -56.9 -35.6 17.4 19.7 110.9 120 123 A F T 3< S+ 0 0 13 -4,-1.8 245,-0.3 -3,-0.2 -1,-0.3 0.431 84.5 111.4 -84.4 0.8 16.1 22.8 112.5 121 124 A M S <> S- 0 0 90 -3,-1.7 4,-2.7 -4,-0.3 3,-0.4 -0.450 79.4-116.8 -71.4 147.5 17.5 25.2 109.8 122 125 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.909 113.6 60.4 -48.8 -51.0 15.2 27.0 107.3 123 126 A K H 4 S+ 0 0 189 1,-0.2 4,-0.3 2,-0.2 3,-0.1 0.883 112.5 35.7 -37.7 -60.4 16.8 25.1 104.4 124 127 A N H >4 S+ 0 0 44 -6,-0.4 3,-1.6 -3,-0.4 -1,-0.2 0.896 113.3 57.3 -69.4 -42.6 15.8 21.7 105.8 125 128 A L H >< S+ 0 0 3 -4,-2.7 3,-2.9 1,-0.3 -1,-0.2 0.813 90.1 73.6 -60.3 -30.6 12.4 22.8 107.2 126 129 A A G >< S+ 0 0 51 -4,-2.3 3,-1.1 1,-0.3 -1,-0.3 0.718 85.8 67.7 -57.3 -20.0 11.3 24.0 103.8 127 130 A R G < S+ 0 0 179 -3,-1.6 -1,-0.3 -4,-0.3 3,-0.3 0.641 93.4 57.9 -70.6 -19.0 11.0 20.3 102.9 128 131 A L G <> S+ 0 0 11 -3,-2.9 4,-2.5 -4,-0.2 5,-0.3 0.378 71.9 107.8 -93.7 5.2 8.1 20.1 105.4 129 132 A D H <> S+ 0 0 81 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 0.903 83.2 43.2 -41.9 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-57.3 -48.8 -7.2 22.9 111.3 140 143 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.871 106.5 60.7 -71.3 -33.4 -9.1 25.3 109.1 141 144 A D H X S+ 0 0 88 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.879 106.3 47.3 -49.8 -45.9 -11.5 22.5 108.0 142 145 A R H X S+ 0 0 74 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.920 111.0 52.1 -65.2 -41.2 -12.4 22.2 111.7 143 146 A M H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.973 116.2 37.2 -57.3 -58.1 -12.9 25.9 112.0 144 147 A L H >< S+ 0 0 42 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.798 109.4 64.0 -68.1 -29.6 -15.2 26.2 109.0 145 148 A G H 3< S+ 0 0 68 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.727 93.1 65.7 -63.9 -23.5 -16.9 22.9 109.9 146 149 A A T << S- 0 0 50 -4,-1.1 2,-0.4 -3,-1.0 -1,-0.2 0.544 112.4-112.3 -77.4 -7.4 -18.1 24.6 113.2 147 150 A G < - 0 0 38 -3,-1.4 -1,-0.2 -4,-0.2 3,-0.1 -0.911 59.3 -43.4 113.9-141.3 -20.4 27.1 111.4 148 151 A E S S+ 0 0 132 -2,-0.4 261,-2.4 1,-0.1 2,-0.3 0.188 123.4 45.8-112.2 14.8 -19.6 30.8 111.4 149 152 A E E +F 408 0B 100 259,-0.2 2,-0.3 -3,-0.2 259,-0.2 -0.989 62.5 109.8-160.1 140.1 -18.7 31.0 115.0 150 153 A G E -F 407 0B 20 257,-1.6 257,-2.4 -2,-0.3 2,-0.7 -0.966 64.9 -54.8 168.6-175.8 -16.6 29.1 117.6 151 154 A D E > -F 406 0B 46 -2,-0.3 4,-2.4 255,-0.2 5,-0.3 -0.712 34.5-156.6 -90.1 113.4 -13.6 29.1 119.9 152 155 A F H >>S+ 0 0 1 253,-2.7 4,-2.4 -2,-0.7 5,-1.7 0.845 92.7 52.5 -55.7 -34.0 -10.4 29.8 117.8 153 156 A M H 4>S+ 0 0 11 3,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.984 112.7 40.7 -64.3 -59.8 -8.3 28.0 120.6 154 157 A A H 45S+ 0 0 65 1,-0.2 -2,-0.2 3,-0.1 -1,-0.2 0.872 124.9 38.2 -56.7 -43.3 -10.3 24.8 120.8 155 158 A L H <5S- 0 0 39 -4,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.881 136.4 -5.6 -80.5 -43.8 -10.7 24.5 117.0 156 159 A V T X5S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -3,-0.2 0.761 121.1 48.2-119.2 -67.6 -7.4 25.8 115.6 157 160 A A T 4> S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 3,-0.7 0.884 106.3 71.5 -74.8 -34.6 -4.4 21.3 118.5 160 163 A Y H 3X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.875 99.2 42.3 -51.7 -57.0 -2.6 22.4 115.3 161 164 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.768 114.5 54.2 -62.8 -26.5 1.0 22.9 116.6 162 165 A L H S+ 0 0 9 -4,-2.5 5,-2.6 1,-0.2 4,-0.5 0.895 107.8 52.8 -61.0 -40.4 3.5 14.7 116.4 167 170 A Q H ><5S+ 0 0 95 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.916 110.5 44.4 -66.3 -43.0 4.1 14.5 112.7 168 171 A I H 3<5S+ 0 0 5 -4,-2.1 55,-1.8 1,-0.2 54,-0.9 0.659 116.8 47.9 -77.7 -13.2 7.8 15.5 113.0 169 172 A L T 3<5S- 0 0 2 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.359 110.2-120.3-100.4 1.4 8.2 13.0 116.0 170 173 A G T < 5 + 0 0 25 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.792 53.9 162.3 61.1 30.3 6.5 10.1 114.2 171 174 A V < - 0 0 10 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.648 41.2-119.2 -78.3 129.4 3.8 9.9 116.9 172 175 A P > - 0 0 34 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.389 19.2-116.9 -74.1 155.6 0.8 8.0 115.6 173 176 A P G > S+ 0 0 107 0, 0.0 3,-1.5 0, 0.0 -2,-0.0 0.790 111.2 62.9 -61.5 -27.9 -2.5 9.9 115.5 174 177 A E G 3 S+ 0 0 135 1,-0.3 4,-0.2 2,-0.1 -3,-0.0 0.676 94.5 63.8 -74.4 -11.6 -4.2 7.6 118.0 175 178 A D G X> + 0 0 38 -3,-2.2 4,-2.0 1,-0.2 3,-0.7 0.367 68.4 108.6 -92.9 7.2 -1.6 8.7 120.7 176 179 A E H <> S+ 0 0 58 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.879 74.2 53.3 -51.1 -45.0 -2.8 12.3 120.7 177 180 A P H 3> S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.856 107.9 52.3 -69.2 -25.2 -4.5 12.2 124.1 178 181 A K H <> S+ 0 0 130 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.910 110.6 48.0 -63.1 -43.8 -1.2 10.8 125.6 179 182 A M H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.889 111.2 50.3 -65.6 -37.1 0.8 13.8 124.0 180 183 A L H X>S+ 0 0 63 -4,-2.4 4,-3.6 2,-0.2 5,-0.6 0.920 109.7 50.1 -66.1 -46.4 -1.8 16.3 125.3 181 184 A F H X>S+ 0 0 69 -4,-2.0 5,-2.2 -5,-0.2 4,-1.6 0.903 111.6 51.8 -52.9 -43.1 -1.4 14.7 128.8 182 185 A L H <>S+ 0 0 2 -4,-2.5 5,-1.9 3,-0.2 -2,-0.2 0.954 122.5 26.2 -59.6 -51.2 2.3 15.1 128.3 183 186 A T H <5S+ 0 0 4 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.809 128.0 43.1 -89.3 -30.1 2.2 18.9 127.4 184 187 A Q H <5S+ 0 0 75 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.832 131.9 11.5 -84.8 -35.9 -1.0 19.9 129.2 185 188 A Q T <> 0 0 190 0, 0.0 4,-0.8 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 7.0 1.4 10.4 146.8 192 210 A I H 3> + 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.670 360.0 72.8 -71.4 -13.9 0.7 12.3 143.6 193 211 A S H 3> S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.853 94.4 49.2 -62.8 -35.2 4.5 12.0 143.4 194 212 A Q H <> S+ 0 0 135 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.813 108.8 50.5 -84.6 -28.4 4.3 8.3 142.6 195 213 A I H X S+ 0 0 103 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.896 113.5 45.7 -73.3 -39.3 1.8 8.7 139.9 196 214 A V H X S+ 0 0 28 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 113.3 50.4 -65.7 -43.5 3.9 11.4 138.2 197 215 A A H X S+ 0 0 36 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.936 112.8 47.2 -57.4 -48.1 7.0 9.3 138.7 198 216 A G H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.962 112.1 49.1 -53.9 -57.0 5.2 6.4 137.1 199 217 A A H X S+ 0 0 9 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.837 108.9 53.0 -51.4 -41.5 3.9 8.5 134.2 200 218 A V H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.972 110.1 48.4 -61.8 -49.9 7.4 9.9 133.5 201 219 A A H X S+ 0 0 28 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.886 109.4 52.8 -58.4 -40.9 8.7 6.3 133.3 202 220 A E H X S+ 0 0 126 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.893 108.7 50.5 -60.3 -39.2 5.9 5.3 130.9 203 221 A F H X S+ 0 0 15 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.885 109.9 50.1 -67.9 -35.8 6.7 8.2 128.6 204 222 A E H X S+ 0 0 22 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.896 112.0 45.9 -68.0 -43.2 10.3 7.2 128.6 205 223 A R H X S+ 0 0 175 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.942 113.7 51.5 -62.1 -44.9 9.5 3.6 127.7 206 224 A Y H X S+ 0 0 59 -4,-2.8 4,-1.9 1,-0.2 3,-0.3 0.927 113.6 42.2 -58.9 -48.6 7.1 4.8 125.1 207 225 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.762 107.4 60.8 -73.2 -26.6 9.6 7.1 123.4 208 226 A A H X S+ 0 0 18 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.873 108.3 46.2 -64.7 -34.9 12.4 4.6 123.7 209 227 A G H X S+ 0 0 41 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.914 110.0 51.0 -75.7 -44.2 10.2 2.3 121.5 210 228 A L H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.920 111.3 49.8 -52.7 -45.0 9.4 5.0 119.0 211 229 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.877 105.2 57.5 -66.2 -35.7 13.1 5.7 118.7 212 230 A A H X S+ 0 0 47 -4,-1.7 4,-1.3 1,-0.2 3,-0.4 0.899 106.4 50.0 -57.2 -43.4 13.8 1.9 118.2 213 231 A E H X S+ 0 0 72 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.898 106.5 54.0 -63.2 -40.4 11.6 2.0 115.2 214 232 A R H < S+ 0 0 49 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.708 103.8 57.2 -70.6 -18.7 13.3 5.1 113.7 215 233 A R H < S+ 0 0 88 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.815 114.0 39.0 -77.7 -32.8 16.6 3.2 113.9 216 234 A R H < S+ 0 0 206 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.836 130.9 26.8 -78.9 -35.5 15.2 0.5 111.8 217 235 A N S < S- 0 0 95 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.1 -0.680 82.4-166.3-133.6 72.3 13.2 2.7 109.4 218 236 A P + 0 0 86 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.326 12.2 176.7 -66.9 145.8 14.9 6.1 109.3 219 237 A T - 0 0 69 2,-0.2 -2,-0.0 -5,-0.1 6,-0.0 -0.655 45.1 -88.5-134.9-169.9 13.0 8.9 107.7 220 238 A D S S+ 0 0 129 -2,-0.2 -93,-0.1 4,-0.1 -52,-0.0 0.440 90.6 99.0 -84.0 1.8 13.3 12.7 107.0 221 239 A D S > S- 0 0 13 1,-0.1 4,-0.9 -54,-0.1 -2,-0.2 -0.140 84.3-108.7 -92.4 178.0 11.8 13.7 110.3 222 240 A V H > S+ 0 0 0 -54,-0.9 4,-2.4 1,-0.2 5,-0.2 0.807 112.4 66.3 -80.8 -27.8 13.4 14.9 113.6 223 241 A A H > S+ 0 0 0 -55,-1.8 4,-2.8 1,-0.2 5,-0.2 0.921 100.5 53.7 -54.8 -41.9 12.6 11.7 115.5 224 242 A T H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 106.8 50.4 -59.9 -43.1 15.0 10.0 113.1 225 243 A V H < S+ 0 0 45 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.954 114.9 43.5 -59.3 -48.3 17.8 12.5 113.9 226 244 A I H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 10,-0.2 0.921 113.8 50.2 -61.8 -45.4 17.3 12.0 117.7 227 245 A A H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 114.9 42.9 -69.0 -35.8 17.0 8.2 117.4 228 246 A N T 3< S+ 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.202 85.3 136.7 -96.5 13.4 20.1 7.7 115.4 229 247 A A < - 0 0 12 -3,-1.3 7,-0.6 -4,-0.2 2,-0.5 -0.279 39.4-155.7 -68.5 145.6 22.4 10.2 117.3 230 248 A V E -H 235 0C 93 5,-0.2 2,-0.5 -115,-0.0 3,-0.1 -0.990 12.2-178.9-119.2 123.3 26.0 9.4 118.2 231 249 A V E > S-H 234 0C 22 3,-3.4 3,-1.2 -2,-0.5 -119,-0.0 -0.977 73.9 -12.2-123.9 118.1 27.4 11.2 121.1 232 250 A D T 3 S- 0 0 121 -2,-0.5 -1,-0.2 1,-0.3 -121,-0.0 0.958 129.2 -54.8 60.4 50.1 31.1 10.5 122.1 233 251 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.422 124.9 90.2 63.4 3.4 31.2 7.5 119.8 234 252 A E E < S-H 231 0C 124 -3,-1.2 -3,-3.4 1,-0.0 -1,-0.1 -0.864 81.0-103.2-127.1 156.9 28.2 6.0 121.5 235 253 A P E -H 230 0C 94 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 -0.359 48.9 -97.4 -69.7 159.4 24.3 6.1 121.2 236 254 A M - 0 0 14 -7,-0.6 -7,-0.0 -10,-0.2 0, 0.0 -0.501 42.0-102.3 -69.8 149.0 22.4 8.2 123.6 237 255 A S > - 0 0 62 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.243 31.7-109.7 -59.6 156.7 20.9 6.6 126.7 238 256 A D H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.840 120.5 57.0 -55.9 -37.8 17.1 5.9 126.6 239 257 A R H > S+ 0 0 145 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 112.1 39.7 -57.1 -51.1 16.7 8.7 129.2 240 258 A D H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 115.7 51.4 -68.1 -44.3 18.4 11.2 127.0 241 259 A T H X S+ 0 0 1 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.952 115.4 42.0 -56.9 -50.6 16.7 9.9 123.9 242 260 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.864 110.0 58.4 -63.0 -41.3 13.3 10.1 125.6 243 261 A G H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.909 105.1 51.6 -54.4 -41.6 14.3 13.5 127.1 244 262 A Y H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 110.5 45.9 -66.3 -41.9 14.8 14.8 123.5 245 263 A Y H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.928 113.7 51.6 -60.0 -45.4 11.4 13.6 122.3 246 264 A I H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.917 110.7 45.1 -62.5 -48.6 9.8 15.1 125.4 247 265 A I H X S+ 0 0 27 -4,-2.6 4,-3.5 1,-0.2 5,-0.4 0.908 110.5 54.7 -64.3 -41.5 11.4 18.6 125.1 248 266 A T H X S+ 0 0 15 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.946 114.6 40.9 -55.9 -46.3 10.6 18.8 121.4 249 267 A A H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.967 121.3 40.4 -70.0 -50.0 6.9 18.1 122.1 250 268 A S H < S+ 0 0 31 -4,-3.1 5,-0.4 1,-0.2 4,-0.3 0.863 118.8 44.9 -73.3 -33.3 6.6 20.3 125.2 251 269 A A H < S+ 0 0 54 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.813 117.8 48.7 -71.9 -23.7 8.7 23.2 123.9 252 270 A G H < S+ 0 0 16 -4,-1.3 4,-0.4 -5,-0.4 -2,-0.2 0.681 106.1 51.8 -89.6 -22.3 6.8 22.9 120.5 253 271 A H S X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.1 3,-0.2 0.975 109.0 27.2 -90.5 -79.4 3.2 22.9 121.5 254 272 A D H > S+ 0 0 39 -4,-0.3 4,-2.8 1,-0.2 5,-0.1 0.828 118.3 58.7 -62.4 -32.2 1.7 25.5 123.8 255 273 A T H > S+ 0 0 21 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.973 110.8 40.0 -59.3 -53.1 4.3 28.1 122.8 256 274 A T H > S+ 0 0 5 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.815 112.4 58.2 -68.1 -31.8 3.3 27.9 119.1 257 275 A S H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.962 106.6 49.1 -57.5 -50.2 -0.4 27.7 120.2 258 276 A A H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.921 114.7 41.4 -57.6 -49.0 -0.0 31.0 122.0 259 277 A S H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.845 113.0 53.8 -73.5 -33.3 1.6 33.0 119.2 260 278 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.964 113.3 45.1 -57.1 -51.2 -0.7 31.5 116.6 261 279 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 111.3 51.5 -56.4 -50.1 -3.6 32.7 118.8 262 280 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.885 110.0 50.4 -57.6 -41.1 -2.1 36.1 119.3 263 281 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.918 112.5 45.6 -64.0 -41.1 -1.6 36.5 115.5 264 282 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.876 112.0 53.5 -71.6 -35.3 -5.3 35.5 114.8 265 283 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.915 109.5 46.5 -59.6 -50.8 -6.4 37.9 117.6 266 284 A A H X S+ 0 0 7 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.878 114.4 48.3 -64.8 -35.5 -4.5 40.8 116.2 267 285 A L H < S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.2 7,-0.4 0.889 111.0 50.5 -68.5 -39.2 -5.9 40.0 112.7 268 286 A A H < S+ 0 0 6 -4,-2.4 119,-0.4 1,-0.2 -2,-0.2 0.797 112.8 46.1 -67.5 -33.0 -9.5 39.7 114.0 269 287 A R H < S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.549 114.6 48.6 -90.4 -8.4 -9.2 43.1 115.9 270 288 A D X + 0 0 68 -4,-0.7 4,-2.7 -3,-0.4 -1,-0.2 -0.734 60.0 172.6-132.2 82.7 -7.7 44.9 112.9 271 289 A P H > S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.772 79.1 59.3 -71.1 -21.1 -9.7 44.3 109.7 272 290 A D H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.940 111.1 42.3 -67.0 -45.4 -7.8 46.8 107.6 273 291 A L H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.928 111.7 56.1 -61.1 -46.2 -4.6 44.8 108.4 274 292 A F H X S+ 0 0 11 -4,-2.7 4,-2.3 -7,-0.4 -2,-0.2 0.932 109.4 46.9 -46.9 -49.3 -6.5 41.6 107.8 275 293 A A H X S+ 0 0 56 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 110.7 50.7 -67.0 -39.2 -7.5 42.9 104.3 276 294 A R H X S+ 0 0 131 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.911 113.5 43.1 -66.1 -43.7 -3.9 44.0 103.4 277 295 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.886 110.4 59.1 -71.9 -31.7 -2.3 40.7 104.3 278 296 A K H < S+ 0 0 56 -4,-2.3 3,-0.2 -5,-0.3 -2,-0.2 0.913 113.5 37.5 -54.5 -45.3 -5.2 38.9 102.6 279 297 A A H < S+ 0 0 92 -4,-1.9 2,-0.4 1,-0.3 -1,-0.2 0.725 129.4 32.4 -82.0 -25.1 -4.2 40.8 99.4 280 298 A D >< - 0 0 72 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.3 -0.844 58.9-174.2-141.2 101.1 -0.4 40.5 99.9 281 299 A R G > S+ 0 0 58 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.580 77.3 80.2 -72.0 -12.8 0.9 37.5 101.7 282 300 A N G 3 S+ 0 0 136 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.610 83.0 67.5 -70.0 -8.8 4.4 38.9 101.8 283 301 A L G <> S+ 0 0 67 -3,-1.6 4,-1.2 -6,-0.2 -1,-0.3 0.589 79.6 86.3 -77.7 -9.4 3.1 40.9 104.8 284 302 A L H <> S+ 0 0 3 -3,-1.8 4,-2.9 1,-0.2 3,-0.2 0.888 77.5 57.1 -65.9 -44.0 2.9 37.7 106.7 285 303 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.898 107.2 49.7 -55.3 -41.5 6.5 37.4 108.1 286 304 A G H > S+ 0 0 24 -4,-0.3 4,-2.0 -3,-0.3 -2,-0.2 0.860 113.5 47.3 -61.9 -37.8 6.2 40.8 109.9 287 305 A I H X S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.902 112.3 48.4 -70.4 -47.0 2.9 39.7 111.4 288 306 A V H X S+ 0 0 2 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.946 113.1 47.5 -54.4 -56.6 4.2 36.3 112.5 289 307 A E H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.914 113.7 47.5 -55.1 -47.9 7.3 37.9 114.1 290 308 A E H X S+ 0 0 3 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.850 107.3 56.4 -66.7 -32.9 5.2 40.6 115.9 291 309 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 5,-0.2 0.891 107.6 49.2 -66.1 -38.6 2.7 38.1 117.2 292 310 A I H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.940 117.2 40.6 -62.1 -47.7 5.5 36.1 118.8 293 311 A R H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.927 116.9 48.4 -62.1 -47.3 6.9 39.4 120.4 294 312 A W H < S+ 0 0 35 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 121.2 35.7 -71.0 -30.8 3.5 40.8 121.3 295 313 A T H < S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.797 83.9-162.1 -86.1 -36.8 2.3 37.5 122.9 296 314 A T < - 0 0 0 -4,-2.2 104,-0.3 -5,-0.2 -3,-0.1 0.955 6.3-168.1 42.3 70.2 5.7 36.4 124.4 297 315 A P S S+ 0 0 6 0, 0.0 103,-2.4 0, 0.0 2,-0.8 0.850 75.5 55.4 -57.4 -39.3 4.5 32.7 124.8 298 316 A V B S-I 399 0D 25 55,-0.3 101,-0.2 101,-0.2 28,-0.1 -0.856 73.9-173.5 -94.8 109.8 7.5 31.8 127.0 299 317 A Q - 0 0 0 99,-3.1 28,-1.5 -2,-0.8 27,-1.2 0.796 55.6 -10.5 -85.8 -28.7 7.3 34.3 129.8 300 318 A H E - E 0 325A 0 98,-0.5 2,-0.3 25,-0.2 -1,-0.2 -0.972 47.7-161.4-155.6 157.9 10.5 33.7 131.8 301 319 A F E - E 0 324A 34 23,-1.7 23,-3.5 -2,-0.3 2,-0.3 -0.942 22.2-133.6-130.4 158.0 13.4 31.3 132.2 302 320 A M E - E 0 323A 1 -226,-2.5 2,-0.3 -2,-0.3 21,-0.2 -0.712 17.7-172.8-105.5 161.9 15.6 31.1 135.3 303 321 A R E - E 0 322A 8 19,-2.1 19,-2.5 -2,-0.3 2,-0.4 -0.935 16.6-139.1-140.9 160.7 19.4 30.9 135.6 304 322 A T E -DE 70 321A 6 -234,-2.5 -234,-3.1 -2,-0.3 2,-0.3 -0.995 27.4-119.2-123.5 132.1 21.9 30.3 138.4 305 323 A A E -D 69 0A 2 15,-2.6 14,-3.6 -2,-0.4 -236,-0.2 -0.557 16.2-159.4 -74.3 128.5 25.1 32.4 138.6 306 324 A A S S+ 0 0 51 -238,-3.0 2,-0.3 -2,-0.3 -1,-0.1 0.674 74.2 2.1 -73.4 -26.8 28.2 30.1 138.4 307 325 A T S S- 0 0 76 -239,-0.4 13,-0.1 10,-0.1 2,-0.1 -0.921 97.7 -66.7-155.5 163.4 30.4 32.7 140.0 308 326 A D S S+ 0 0 115 -2,-0.3 2,-0.2 9,-0.1 9,-0.2 -0.464 70.4 146.2 -60.0 139.3 30.3 36.3 141.5 309 327 A T E -J 316 0E 33 7,-2.7 7,-3.3 -2,-0.1 2,-0.4 -0.904 43.0-109.6-161.6-179.4 29.5 38.7 138.7 310 328 A E E -J 315 0E 114 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.994 17.7-171.6-129.5 140.6 27.7 42.0 137.7 311 329 A L E > S-J 314 0E 5 3,-2.8 3,-2.0 -2,-0.4 -253,-0.1 -0.974 82.6 -11.5-131.7 120.3 24.6 42.5 135.6 312 330 A C T 3 S- 0 0 51 -2,-0.4 -1,-0.2 1,-0.3 -275,-0.1 0.942 131.4 -56.3 56.2 43.2 23.7 46.0 134.6 313 331 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.477 113.1 128.7 67.3 -0.3 26.3 47.1 137.1 314 332 A Q E < -J 311 0E 42 -3,-2.0 -3,-2.8 1,-0.0 2,-0.3 -0.746 62.2-120.7 -89.5 133.4 24.5 45.2 139.8 315 333 A K E -J 310 0E 155 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.524 27.7-170.4 -76.5 128.6 26.5 42.7 141.8 316 334 A I E -J 309 0E 2 -7,-3.3 -7,-2.7 -2,-0.3 2,-0.2 -0.976 15.8-134.6-122.7 124.6 25.3 39.1 141.6 317 335 A A > - 0 0 46 -2,-0.5 3,-2.3 -9,-0.2 -12,-0.3 -0.603 32.6 -89.7 -84.6 140.7 26.7 36.5 144.0 318 336 A A T 3 S+ 0 0 54 1,-0.3 -12,-0.2 -2,-0.2 -10,-0.1 -0.159 116.8 21.2 -39.0 130.5 27.8 32.9 143.0 319 337 A G T 3 S+ 0 0 36 -14,-3.6 -1,-0.3 1,-0.3 2,-0.2 0.496 87.7 147.0 77.4 3.9 24.8 30.6 143.3 320 338 A D < - 0 0 36 -3,-2.3 -15,-2.6 -13,-0.1 2,-0.3 -0.524 45.1-131.0 -68.4 140.7 22.2 33.4 143.0 321 339 A W E - E 0 304A 11 -272,-0.4 -270,-2.2 -17,-0.2 2,-0.4 -0.711 27.5-170.2 -88.7 140.8 18.9 32.5 141.3 322 340 A L E -cE 51 303A 0 -19,-2.5 -19,-2.1 -2,-0.3 2,-0.6 -1.000 19.7-143.4-139.4 142.1 17.7 34.8 138.6 323 341 A M E -cE 52 302A 1 -272,-3.3 -270,-2.7 -2,-0.4 2,-0.9 -0.895 8.2-157.2 -98.9 117.5 14.5 35.2 136.5 324 342 A L E -cE 53 301A 0 -23,-3.5 -23,-1.7 -2,-0.6 2,-0.9 -0.841 18.1-157.6 -90.3 110.2 15.0 36.4 132.9 325 343 A N E > - E 0 300A 0 -272,-1.8 4,-2.1 -2,-0.9 -25,-0.2 -0.818 17.1-177.8-101.0 107.8 11.6 37.8 132.3 326 344 A Y H > S+ 0 0 10 -27,-1.2 4,-2.9 -2,-0.9 26,-0.2 0.739 81.5 59.3 -79.3 -25.1 10.9 37.9 128.6 327 345 A V H > S+ 0 0 0 -28,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.970 111.7 42.5 -63.3 -49.4 7.5 39.6 129.0 328 346 A A H >4 S+ 0 0 0 -29,-0.3 3,-0.8 1,-0.2 -2,-0.2 0.910 116.2 49.6 -61.2 -43.3 9.3 42.5 130.7 329 347 A A H >< S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 -273,-0.3 0.915 108.6 50.5 -64.8 -43.5 12.1 42.4 128.1 330 348 A N H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.519 110.6 50.3 -75.6 -3.5 9.9 42.3 125.1 331 349 A H T << S+ 0 0 2 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.149 77.6 129.1-117.3 19.6 7.9 45.4 126.3 332 350 A D X> - 0 0 11 -3,-1.3 4,-2.3 1,-0.1 3,-1.3 -0.635 51.3-151.7 -77.5 118.0 10.9 47.5 127.0 333 351 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.656 90.6 75.7 -70.7 -10.6 10.5 51.0 125.3 334 352 A A T 34 S+ 0 0 79 1,-0.2 -279,-0.0 3,-0.1 -2,-0.0 0.856 116.1 18.5 -62.2 -35.4 14.4 51.2 125.1 335 353 A Q T <4 S+ 0 0 106 -3,-1.3 -1,-0.2 1,-0.2 -5,-0.0 0.722 125.7 52.4-102.4 -31.3 14.0 48.7 122.2 336 354 A F S < S- 0 0 14 -4,-2.3 -1,-0.2 10,-0.0 2,-0.1 -0.913 71.5-140.6-120.4 107.6 10.4 48.9 121.1 337 355 A P S S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 -0.456 96.0 4.1 -63.2 137.4 8.7 52.2 120.2 338 356 A E S > S- 0 0 118 -2,-0.1 3,-2.0 1,-0.1 5,-0.0 0.958 84.6-164.5 44.9 63.1 5.1 52.0 121.6 339 357 A P T 3 S+ 0 0 18 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.762 80.2 56.2 -51.3 -29.3 6.0 48.6 123.2 340 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