==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-09 3GE3 . COMPND 2 MOLECULE: TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MENDOCINA; . AUTHOR N.L.ELSEN,L.J.BAILEY,B.G.FOX . 980 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 719 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 30 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 3.9 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 7 1 2 5 6 2 5 1 0 3 0 0 0 1 1 0 0 1 1 0 1 0 1 1 1 1 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 1 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 2 A A 0 0 44 0, 0.0 2,-0.3 0, 0.0 591,-0.2 0.000 360.0 360.0 360.0 159.8 39.3 -10.3 10.0 2 3 A M - 0 0 74 590,-0.1 587,-0.0 0, 0.0 583,-0.0 -0.894 360.0-127.3-115.3 149.0 37.2 -7.8 12.0 3 4 A H - 0 0 32 -2,-0.3 5,-0.1 1,-0.1 659,-0.1 -0.762 32.2-106.7-100.1 142.1 37.2 -7.4 15.7 4 5 A P >> - 0 0 37 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.312 23.9-116.0 -74.5 148.1 33.9 -7.5 17.5 5 6 A R H >> S+ 0 0 37 1,-0.3 4,-2.4 2,-0.2 3,-1.2 0.828 110.5 65.3 -50.0 -39.5 32.3 -4.3 18.9 6 7 A K H 34 S+ 0 0 133 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.803 99.9 53.6 -56.3 -26.6 32.5 -5.6 22.5 7 8 A D H <4 S+ 0 0 68 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.692 122.4 23.3 -86.9 -17.5 36.3 -5.6 22.3 8 9 A W H XX S+ 0 0 15 -3,-1.2 3,-0.9 -4,-0.6 4,-0.9 0.474 95.2 95.3-121.7 -3.4 36.8 -2.0 21.2 9 10 A Y H >X S+ 0 0 9 -4,-2.4 3,-1.1 1,-0.3 4,-0.8 0.884 78.2 59.5 -59.6 -40.0 33.6 -0.3 22.4 10 11 A E H >4 S+ 0 0 112 -4,-0.4 3,-0.9 1,-0.3 -1,-0.3 0.859 99.7 57.7 -60.6 -31.9 35.0 1.0 25.7 11 12 A L H X4 S+ 0 0 23 -3,-0.9 3,-0.9 1,-0.2 -1,-0.3 0.807 96.3 63.0 -67.4 -29.9 37.6 3.0 23.8 12 13 A T H << S+ 0 0 5 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.777 113.5 35.1 -64.8 -25.7 34.9 4.9 21.9 13 14 A R T << S+ 0 0 28 -3,-0.9 2,-1.6 -4,-0.8 3,-0.4 0.186 84.7 104.5-113.9 15.9 33.6 6.3 25.3 14 15 A A < + 0 0 32 -3,-0.9 -1,-0.1 1,-0.2 -3,-0.0 -0.628 49.0 115.5 -90.9 72.5 37.0 6.7 27.1 15 16 A T + 0 0 0 -2,-1.6 -1,-0.2 605,-0.1 2,-0.2 0.418 31.8 108.7-128.9 2.1 36.8 10.4 26.5 16 17 A N + 0 0 5 -3,-0.4 2,-0.3 25,-0.0 102,-0.0 -0.555 41.7 172.3 -76.5 144.4 36.5 12.1 29.9 17 18 A W - 0 0 4 -2,-0.2 661,-0.0 663,-0.1 -2,-0.0 -0.957 39.0-103.3-145.2 164.9 39.6 13.9 31.1 18 19 A T - 0 0 72 -2,-0.3 5,-0.0 659,-0.1 2,-0.0 -0.793 40.8-131.9 -90.7 110.6 40.5 16.2 34.0 19 20 A P + 0 0 18 0, 0.0 5,-0.2 0, 0.0 672,-0.0 -0.379 32.3 168.5 -68.8 152.0 40.6 19.8 32.7 20 21 A S S S+ 0 0 76 3,-0.1 3,-0.1 670,-0.1 671,-0.1 0.542 71.3 50.7-131.6 -27.1 43.6 22.0 33.6 21 22 A Y S S+ 0 0 78 1,-0.1 2,-0.3 669,-0.1 670,-0.0 0.600 125.0 19.6 -98.7 -19.0 43.5 25.2 31.5 22 23 A V S S- 0 0 15 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.910 97.5 -98.7-133.1 164.4 39.9 25.9 32.4 23 24 A T > - 0 0 74 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.423 28.0-111.5 -83.3 166.3 38.0 24.5 35.4 24 25 A E H > S+ 0 0 62 1,-0.2 4,-2.5 -5,-0.2 -1,-0.1 0.916 120.7 49.4 -58.0 -43.3 35.6 21.6 35.4 25 26 A E H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.825 108.5 52.9 -70.3 -31.0 32.7 23.9 36.1 26 27 A Q H 4 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.878 113.5 43.6 -64.1 -40.9 33.8 26.3 33.3 27 28 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.875 129.6 26.9 -74.5 -35.5 33.8 23.3 30.9 28 29 A F S < S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 7,-0.2 -0.612 83.4-165.2-125.0 70.3 30.5 21.9 32.2 29 30 A P >> - 0 0 19 0, 0.0 4,-2.9 0, 0.0 3,-1.6 -0.350 24.0-128.2 -63.3 134.1 28.6 24.8 33.6 30 31 A E H 3> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 6,-0.1 0.852 106.0 61.1 -50.6 -40.7 25.7 23.7 35.8 31 32 A R H 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 510,-0.0 0.804 119.8 26.3 -63.6 -26.8 23.2 25.8 33.9 32 33 A M H <4 S+ 0 0 1 -3,-1.6 152,-2.7 151,-0.1 -1,-0.2 0.724 130.6 39.2-101.0 -27.4 23.9 24.0 30.6 33 34 A S H < S- 0 0 0 -4,-2.9 152,-1.8 150,-0.3 -3,-0.2 0.821 78.5-154.4 -95.1 -39.3 25.1 20.6 32.0 34 35 A G < + 0 0 0 -4,-2.0 -4,-0.1 -5,-0.3 -3,-0.1 0.792 38.2 148.7 71.8 28.7 22.7 19.9 35.0 35 36 A H > - 0 0 6 -7,-0.2 3,-2.1 1,-0.1 -1,-0.1 0.593 50.0-138.8 -76.6 -8.6 25.2 17.7 36.8 36 37 A M T 3 - 0 0 34 1,-0.3 -1,-0.1 -6,-0.1 -6,-0.0 0.800 67.1 -57.9 58.6 28.9 23.8 18.8 40.3 37 38 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.437 94.1 148.9 83.6 -1.2 27.4 19.0 41.6 38 39 A I < - 0 0 6 -3,-2.1 -1,-0.3 1,-0.1 5,-0.1 -0.556 50.5-116.8 -71.2 122.4 28.2 15.3 40.9 39 40 A P >> - 0 0 73 0, 0.0 3,-1.4 0, 0.0 4,-0.7 -0.231 20.3-110.1 -65.5 150.7 31.9 15.1 40.1 40 41 A L H >> S+ 0 0 9 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.807 112.2 60.9 -44.9 -46.4 33.2 14.0 36.7 41 42 A E H >4 S+ 0 0 154 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.868 97.6 58.6 -60.9 -31.7 34.5 10.7 37.8 42 43 A K H X4 S+ 0 0 111 -3,-1.4 3,-1.2 1,-0.3 -1,-0.3 0.810 98.0 60.6 -67.4 -28.8 31.1 9.5 39.0 43 44 A W H X< S+ 0 0 0 -3,-1.0 3,-1.5 -4,-0.7 -1,-0.3 0.622 83.6 80.4 -74.7 -11.6 29.7 10.0 35.5 44 45 A E T << S+ 0 0 71 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.671 80.6 66.1 -71.8 -11.4 32.1 7.5 34.0 45 46 A S T < S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 0.492 71.6 123.7 -84.5 -1.4 30.0 4.5 35.2 46 47 A Y < - 0 0 8 -3,-1.5 2,-0.5 -4,-0.1 75,-0.3 -0.402 40.7-175.0 -59.9 124.7 27.2 5.6 32.8 47 48 A D - 0 0 79 -2,-0.2 -1,-0.1 74,-0.1 -2,-0.0 -0.819 18.3-144.8-133.1 98.0 26.5 2.6 30.6 48 49 A E - 0 0 2 -2,-0.5 3,-0.2 1,-0.1 188,-0.1 -0.327 7.9-154.9 -58.2 124.8 24.0 3.1 27.7 49 50 A P S S+ 0 0 31 0, 0.0 921,-0.8 0, 0.0 2,-0.5 0.650 84.1 54.0 -86.8 -5.6 22.1 -0.2 27.4 50 51 A Y S S- 0 0 14 182,-0.2 185,-0.1 185,-0.2 2,-0.1 -0.816 81.9-177.3-125.3 89.2 21.2 0.2 23.7 51 52 A K + 0 0 35 -2,-0.5 2,-0.3 919,-0.2 182,-0.0 -0.397 14.6 171.2 -86.3 158.3 24.5 0.8 21.9 52 53 A T - 0 0 2 -2,-0.1 2,-0.3 180,-0.0 76,-0.1 -0.931 16.3-146.6-149.6 175.2 25.4 1.6 18.4 53 54 A S > - 0 0 6 -2,-0.3 4,-3.0 1,-0.1 3,-0.2 -0.946 33.0 -98.4-143.4 160.2 28.6 2.6 16.6 54 55 A Y H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.877 116.8 46.1 -54.7 -50.4 29.3 4.8 13.6 55 56 A P H > S+ 0 0 23 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.915 117.6 44.4 -62.7 -38.1 29.7 2.2 10.8 56 57 A E H > S+ 0 0 50 -3,-0.2 4,-2.9 1,-0.2 5,-0.3 0.879 111.1 55.8 -69.5 -39.1 26.6 0.3 12.0 57 58 A Y H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.952 108.7 43.5 -59.5 -52.2 24.7 3.5 12.4 58 59 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.905 117.7 46.7 -66.8 -34.4 25.2 4.8 8.8 59 60 A S H X S+ 0 0 47 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.953 116.1 43.9 -67.6 -48.7 24.5 1.3 7.3 60 61 A I H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.857 115.4 47.2 -65.6 -38.3 21.4 0.6 9.4 61 62 A Q H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.833 106.1 58.6 -76.6 -30.3 19.9 4.1 8.9 62 63 A R H X S+ 0 0 108 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.946 109.8 45.8 -56.3 -48.3 20.6 3.9 5.2 63 64 A E H X S+ 0 0 93 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.896 108.8 54.8 -62.9 -42.4 18.4 0.8 5.2 64 65 A K H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.939 113.3 41.7 -58.9 -46.6 15.6 2.4 7.3 65 66 A D H X S+ 0 0 4 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.881 107.3 59.9 -72.2 -35.4 15.3 5.3 5.0 66 67 A A H X S+ 0 0 56 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.946 110.7 44.2 -57.1 -41.7 15.5 3.3 1.8 67 68 A G H X S+ 0 0 35 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.929 113.3 49.3 -64.3 -47.1 12.4 1.4 3.1 68 69 A A H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.936 115.9 42.1 -61.9 -44.2 10.5 4.5 4.2 69 70 A Y H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.850 112.0 54.5 -72.8 -33.2 11.0 6.3 0.9 70 71 A S H X S+ 0 0 76 -4,-2.2 4,-2.5 -5,-0.4 -1,-0.2 0.902 108.6 48.7 -65.3 -40.7 10.4 3.3 -1.3 71 72 A V H X S+ 0 0 43 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.950 111.0 50.2 -64.2 -46.5 7.0 2.7 0.3 72 73 A K H >X S+ 0 0 18 -4,-2.0 4,-0.6 -5,-0.2 3,-0.6 0.945 112.9 46.8 -56.0 -47.4 6.1 6.3 -0.1 73 74 A A H >< S+ 0 0 66 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.903 110.1 52.3 -63.2 -41.3 7.1 6.2 -3.8 74 75 A A H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.724 115.7 41.1 -67.7 -21.9 5.2 2.9 -4.4 75 76 A L H X< S+ 0 0 57 -4,-1.4 3,-2.7 -3,-0.6 5,-0.3 0.343 72.4 112.9-109.3 4.7 2.0 4.3 -3.0 76 77 A E T << S+ 0 0 63 -3,-0.9 3,-0.4 -4,-0.6 -1,-0.1 0.857 87.1 46.1 -43.0 -34.8 1.8 7.9 -4.3 77 78 A R T 3 S+ 0 0 205 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.103 76.1 105.3-105.1 28.3 -1.2 6.7 -6.3 78 79 A A S < S- 0 0 45 -3,-2.7 -1,-0.2 1,-0.0 -2,-0.1 0.489 85.7-124.5 -80.8 -3.7 -3.1 4.8 -3.6 79 80 A K >> + 0 0 61 -3,-0.4 4,-6.1 -4,-0.2 5,-0.8 0.738 62.1 144.0 75.9 19.6 -5.6 7.7 -3.4 80 81 A I H >5S+ 0 0 24 -5,-0.3 4,-2.5 1,-0.2 9,-0.1 0.989 79.1 41.8 -57.9 -51.1 -5.2 8.3 0.3 81 82 A Y H 45S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.921 126.9 35.7 -61.5 -36.3 -5.6 12.0 -0.2 82 83 A E H 45S+ 0 0 91 1,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.909 128.8 29.8 -86.8 -43.2 -8.4 11.4 -2.7 83 84 A N H <5S+ 0 0 138 -4,-6.1 -3,-0.2 -5,-0.1 -2,-0.2 0.540 96.8 106.2 -93.2 -8.6 -10.2 8.3 -1.3 84 85 A S S <> - 0 0 55 1,-0.1 4,-1.9 129,-0.1 3,-0.8 -0.403 31.2-123.3 -61.7 140.5 -12.0 10.2 4.9 86 87 A P H 3> S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 258,-0.2 0.779 111.4 62.4 -65.0 -24.4 -11.4 13.9 5.5 87 88 A G H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 259,-0.1 0.846 105.1 48.4 -61.1 -36.7 -11.1 13.2 9.3 88 89 A W H <> S+ 0 0 2 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.924 109.1 50.8 -69.0 -45.5 -8.1 11.0 8.4 89 90 A I H X S+ 0 0 11 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.915 109.0 52.7 -59.4 -40.3 -6.6 13.7 6.2 90 91 A S H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.865 103.5 57.6 -61.9 -31.8 -7.0 16.1 9.1 91 92 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.916 107.8 47.2 -62.1 -45.2 -5.1 13.6 11.3 92 93 A L H X S+ 0 0 5 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.937 111.5 50.6 -61.7 -43.5 -2.2 13.9 8.9 93 94 A K H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.915 113.8 43.6 -65.0 -40.8 -2.4 17.7 8.8 94 95 A S H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.874 114.3 50.6 -73.7 -34.8 -2.4 18.0 12.7 95 96 A H H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 5,-0.4 0.971 114.0 42.0 -64.7 -53.9 0.4 15.4 13.1 96 97 A Y H X S+ 0 0 10 -4,-2.8 4,-1.9 -5,-0.2 5,-0.4 0.918 117.5 48.1 -64.4 -38.0 2.8 16.9 10.6 97 98 A G H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.921 116.9 41.2 -61.9 -47.2 2.1 20.5 11.8 98 99 A A H < S+ 0 0 12 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.692 128.5 27.5 -77.5 -16.6 2.4 19.6 15.5 99 100 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 -5,-0.1 3,-0.3 0.798 96.5 73.6-116.5 -40.9 5.5 17.4 15.1 100 101 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.4 40,-0.1 0.887 107.0 33.8 -58.1 -51.4 7.8 18.0 12.2 101 102 A V H > S+ 0 0 1 -5,-0.4 4,-1.9 56,-0.4 -1,-0.3 0.781 114.2 60.9 -80.7 -16.9 9.6 21.1 13.2 102 103 A G H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.888 101.9 53.8 -68.0 -38.3 9.5 20.0 16.9 103 104 A E H X S+ 0 0 5 -4,-2.6 4,-0.8 2,-0.2 34,-0.2 0.931 107.5 49.7 -59.0 -45.5 11.5 16.9 15.8 104 105 A Y H >< S+ 0 0 3 -4,-1.5 3,-1.1 -5,-0.2 4,-0.5 0.911 107.8 53.8 -62.4 -38.9 14.1 19.3 14.3 105 106 A A H >X S+ 0 0 5 -4,-1.9 3,-1.7 1,-0.2 4,-0.9 0.872 97.9 66.1 -57.8 -33.5 14.0 21.2 17.7 106 107 A A H 3X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.769 84.9 71.4 -63.9 -23.1 14.8 17.9 19.4 107 108 A V H S+ 0 0 3 -3,-1.7 4,-2.4 -4,-0.5 -1,-0.2 0.870 104.3 52.4 -71.4 -33.0 19.0 20.8 20.0 109 110 A G H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.932 113.5 45.0 -64.8 -40.7 18.1 18.7 23.1 110 111 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 112.2 51.6 -67.8 -40.2 20.4 16.0 21.9 111 112 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.855 103.3 59.4 -61.3 -37.9 23.1 18.5 21.0 112 113 A R H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 72,-0.3 0.911 111.5 40.7 -56.3 -43.6 22.8 19.9 24.6 113 114 A M H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.894 109.3 59.1 -70.7 -40.1 23.7 16.5 25.9 114 115 A A H < S+ 0 0 1 -4,-2.6 -2,-0.2 12,-0.2 -1,-0.2 0.864 120.6 27.5 -59.8 -34.6 26.4 15.9 23.2 115 116 A R H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 131.3 32.2 -90.7 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3,-0.3 -5,-0.4 -3,-0.2 0.833 129.2 22.4-113.2 -51.4 13.8 19.7 25.3 180 181 A T T - 0 0 27 -2,-0.3 4,-2.4 1,-0.1 -150,-0.3 -0.129 49.0 -99.5 -64.1 165.7 20.3 21.6 30.9 184 185 A A H > S+ 0 0 0 -152,-2.7 4,-2.5 -72,-0.3 -150,-0.2 0.847 120.2 46.0 -57.8 -47.1 21.7 18.4 29.5 185 186 A I H > S+ 0 0 1 -152,-1.8 4,-1.4 2,-0.2 5,-0.2 0.856 110.6 54.8 -71.7 -31.4 20.8 16.1 32.4 186 187 A S H > S+ 0 0 1 2,-0.2 4,-3.3 1,-0.2 3,-0.5 0.943 109.9 47.1 -61.1 -45.1 17.3 17.5 32.6 187 188 A V H X>S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-1.1 0.936 106.6 59.9 -58.3 -44.7 16.8 16.7 28.9 188 189 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.779 120.2 24.5 -56.5 -34.1 18.3 13.2 29.6 189 190 A I H X5S+ 0 0 0 -4,-1.4 4,-1.1 -3,-0.5 -1,-0.2 0.755 125.4 47.2-104.3 -26.4 15.5 12.4 32.1 190 191 A M H <5S+ 0 0 2 -4,-3.3 5,-0.4 -5,-0.2 -3,-0.2 0.952 116.9 38.2 -80.0 -48.2 12.7 14.7 31.0 191 192 A L T >X>S+ 0 0 1 -4,-1.9 5,-2.3 -5,-0.4 3,-1.1 0.935 120.3 45.6 -70.7 -44.2 12.6 14.1 27.3 192 193 A T I 34XS+ 0 0 0 -5,-1.1 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38.7 -58.4 -48.5 2.9 5.3 3.8 219 220 A F H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.938 116.8 48.2 -70.5 -46.5 2.1 7.0 7.1 220 221 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.926 114.1 47.6 -58.0 -44.2 2.0 3.9 9.3 221 222 A N H X S+ 0 0 33 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.902 112.9 49.8 -64.7 -38.5 5.2 2.7 7.9 222 223 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.963 112.5 43.3 -61.6 -56.7 6.9 6.1 8.3 223 224 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.869 113.4 50.8 -70.5 -30.9 5.9 6.8 11.9 224 225 A S H X S+ 0 0 4 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.886 109.7 51.7 -73.9 -30.1 6.7 3.3 13.1 225 226 A S H X S+ 0 0 3 -4,-1.7 4,-0.8 -5,-0.2 3,-0.5 0.917 107.9 52.5 -64.9 -40.1 10.2 3.5 11.4 226 227 A I H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-1.2 0.926 104.6 56.1 -59.5 -42.9 10.7 6.8 13.3 227 228 A Q H 3X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.794 94.6 67.1 -66.4 -24.2 9.9 5.1 16.6 228 229 A T H 3X S+ 0 0 0 -4,-1.1 4,-0.7 -3,-0.5 -1,-0.3 0.854 103.8 44.8 -61.6 -33.5 12.6 2.5 16.0 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0.895 69.4 52.8 -56.7 -45.2 -20.5 9.9 27.8 365 366 A N G 3 5S+ 0 0 40 1,-0.3 -1,-0.2 3,-0.2 7,-0.1 0.821 107.0 51.4 -68.2 -27.1 -24.0 10.7 26.4 366 367 A K G < 5S+ 0 0 112 -3,-0.5 43,-3.0 3,-0.2 -1,-0.3 0.471 123.0 31.2 -84.4 -1.8 -25.2 12.3 29.7 367 368 A R T X>5S+ 0 0 74 -3,-1.5 3,-1.6 -4,-0.5 4,-0.8 0.479 137.1 8.8-115.4 -98.1 -22.1 14.5 29.8 368 369 A W H >>5S+ 0 0 5 1,-0.3 4,-2.2 -4,-0.2 3,-0.6 0.826 122.2 68.6 -56.7 -31.9 -20.5 15.6 26.5 369 370 A G H 3> S+ 0 0 103 -3,-1.6 4,-1.3 -6,-0.3 -1,-0.2 0.910 107.3 43.3 -63.8 -40.5 -25.6 17.0 26.2 371 372 A C H S+ 0 0 4 -4,-2.3 5,-2.7 2,-0.2 -1,-0.2 0.939 110.5 47.3 -60.9 -43.3 -28.6 23.7 15.6 379 380 A V H ><5S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.938 110.3 52.1 -63.3 -44.2 -27.0 22.1 12.5 380 381 A L H 3<5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.823 114.4 43.4 -61.6 -32.7 -30.2 20.2 11.6 381 382 A N T 3<5S- 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.212 113.8-118.4 -96.5 11.5 -32.1 23.5 11.8 382 383 A D T < 5 + 0 0 125 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.787 64.6 144.7 53.7 37.4 -29.5 25.5 9.9 383 384 A R > < + 0 0 104 -5,-2.7 3,-1.4 1,-0.2 -1,-0.2 -0.582 15.2 159.7 -94.6 68.4 -28.7 27.8 12.8 384 385 A M G > + 0 0 57 -2,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.703 59.4 70.7 -74.8 -17.5 -25.1 27.9 11.8 385 386 A D G > S+ 0 0 99 1,-0.3 3,-0.9 -3,-0.2 -1,-0.3 0.820 96.6 56.1 -61.7 -28.7 -24.3 31.2 13.7 386 387 A L G < S+ 0 0 31 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.468 99.5 58.9 -84.6 -2.9 -24.7 29.1 16.9 387 388 A V G < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 0.248 99.4 65.9-109.7 8.5 -22.1 26.6 15.8 388 389 A S S < S- 0 0 52 -3,-0.9 -51,-0.1 -4,-0.1 2,-0.1 -0.984 84.6-116.3-130.3 143.0 -19.3 29.2 15.5 389 390 A P - 0 0 12 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.372 17.7-169.3 -85.4 158.6 -17.8 31.2 18.4 390 391 A E S S+ 0 0 90 -2,-0.1 2,-0.3 443,-0.1 73,-0.2 0.203 75.2 36.0-126.3 11.0 -17.8 34.8 19.1 391 392 A T S S- 0 0 20 442,-0.1 424,-0.1 71,-0.1 71,-0.0 -0.890 85.1 -97.8-145.8-179.3 -15.3 34.9 21.9 392 393 A L - 0 0 14 -2,-0.3 422,-2.3 422,-0.2 2,-0.1 -0.757 33.5-114.5-101.6 150.2 -12.1 33.1 23.0 393 394 A P B -A 813 0A 13 0, 0.0 2,-0.3 0, 0.0 420,-0.3 -0.478 37.2-104.0 -70.0 152.3 -11.8 30.2 25.4 394 395 A S - 0 0 0 418,-2.7 9,-3.0 9,-0.2 2,-0.4 -0.645 43.4-143.4 -75.5 139.8 -9.9 30.9 28.6 395 396 A V B -F 402 0B 11 -2,-0.3 31,-0.2 7,-0.3 53,-0.1 -0.844 10.7-110.8-117.7 140.4 -6.4 29.3 28.3 396 397 A C > - 0 0 1 5,-2.9 4,-1.0 -2,-0.4 31,-0.2 -0.390 18.6-140.3 -59.7 137.1 -4.1 27.5 30.9 397 398 A N T 4 S+ 0 0 7 29,-2.9 30,-0.1 2,-0.1 -1,-0.1 0.512 100.0 37.2 -79.2 -1.5 -0.9 29.4 31.8 398 399 A M T 4 S+ 0 0 0 28,-0.2 29,-0.1 3,-0.1 -1,-0.1 0.764 126.9 26.8-106.6 -68.6 1.0 26.2 31.7 399 400 A S T 4 S- 0 0 4 2,-0.1 -225,-0.2 1,-0.1 -2,-0.1 0.663 90.5-135.4 -72.5 -18.2 -0.3 23.9 28.9 400 401 A Q < + 0 0 5 -4,-1.0 -230,-0.3 1,-0.3 -3,-0.1 0.732 66.2 120.3 70.5 21.3 -1.5 26.8 26.7 401 402 A I S S- 0 0 1 -231,-0.1 -5,-2.9 1,-0.1 -1,-0.3 -0.886 73.9 -79.8-117.4 149.8 -4.8 24.9 26.1 402 403 A P B -F 395 0B 10 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.103 45.1-110.2 -48.3 143.2 -8.4 25.9 26.9 403 404 A L + 0 0 5 -9,-3.0 409,-2.1 409,-0.3 -9,-0.2 -0.666 53.4 167.7 -75.6 115.2 -9.6 25.5 30.5 404 405 A V B +G 811 0C 15 -2,-0.6 10,-0.5 407,-0.2 407,-0.3 -0.722 19.1 171.2-127.3 174.5 -12.2 22.7 30.5 405 406 A G - 0 0 14 405,-2.3 8,-0.3 -2,-0.2 6,-0.1 -0.843 49.2 -55.9-161.5-164.7 -14.2 20.4 32.7 406 407 A V B -H 412 0D 5 6,-2.7 6,-2.2 -2,-0.2 402,-0.2 -0.783 54.0-160.7 -93.8 124.8 -17.0 17.8 32.5 407 408 A P > + 0 0 0 0, 0.0 3,-0.6 0, 0.0 402,-0.2 -0.295 44.8 29.9 -92.2-179.7 -20.3 19.2 31.0 408 409 A G G > S+ 0 0 1 400,-2.0 3,-1.3 1,-0.2 -41,-0.2 -0.406 111.0 6.2 82.3-140.7 -23.9 18.0 31.1 409 410 A D G 3 S+ 0 0 60 -43,-3.0 -1,-0.2 1,-0.3 -42,-0.1 0.699 137.8 28.6 -68.7 -27.2 -25.7 16.1 33.9 410 411 A D G < S- 0 0 81 -3,-0.6 -1,-0.3 -44,-0.2 -4,-0.1 -0.352 87.7-167.9-127.1 56.2 -22.9 16.2 36.6 411 412 A W < + 0 0 49 -3,-1.3 2,-0.3 -6,-0.1 -3,-0.1 -0.095 13.8 166.8 -43.0 131.4 -21.2 19.4 35.5 412 413 A N B +H 406 0D 62 -6,-2.2 -6,-2.7 396,-0.0 2,-0.4 -0.875 3.4 161.0-155.8 116.6 -17.8 19.9 37.2 413 414 A I - 0 0 6 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -1.000 9.9-176.5-138.4 133.0 -15.2 22.4 36.2 414 415 A E - 0 0 75 -10,-0.5 2,-0.4 -2,-0.4 -10,-0.1 -0.991 11.4-165.5-137.1 129.2 -12.3 23.8 38.2 415 416 A V - 0 0 7 -2,-0.4 2,-0.7 -12,-0.1 13,-0.2 -0.925 15.8-148.0-102.4 131.8 -9.6 26.4 37.5 416 417 A F E -I 427 0E 22 11,-2.8 11,-2.2 -2,-0.4 13,-0.2 -0.906 24.1-166.8-104.6 105.1 -6.6 26.4 39.8 417 418 A S E -I 426 0E 40 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.518 11.3-170.1-101.4 165.4 -5.5 30.0 40.2 418 419 A L E -I 425 0E 29 7,-2.2 7,-3.1 -2,-0.2 2,-0.5 -0.963 16.3-147.0-155.6 127.5 -2.3 31.5 41.5 419 420 A E E +I 424 0E 168 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.872 30.2 165.7 -92.4 135.4 -1.1 35.0 42.4 420 421 A H E > -I 423 0E 41 3,-2.4 3,-1.1 -2,-0.5 -2,-0.1 -0.939 62.3 -15.4-156.2 124.7 2.6 35.5 41.8 421 422 A N T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.855 129.0 -49.0 48.7 42.3 4.7 38.6 41.6 422 423 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.673 116.8 104.8 77.1 20.9 1.6 40.8 41.2 423 424 A R E < -I 420 0E 58 -3,-1.1 -3,-2.4 2,-0.0 2,-0.6 -0.974 63.8-131.5-135.4 145.9 -0.0 38.8 38.4 424 425 A L E -I 419 0E 42 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.898 26.7-173.2-101.0 119.5 -3.0 36.4 38.4 425 426 A Y E -I 418 0E 5 -7,-3.1 -7,-2.2 -2,-0.6 2,-0.4 -0.818 9.4-152.2-110.1 153.0 -2.4 33.1 36.6 426 427 A H E -I 417 0E 11 -2,-0.3 -29,-2.9 -9,-0.2 2,-0.3 -0.990 10.5-170.1-128.9 133.1 -4.9 30.3 35.8 427 428 A F E -I 416 0E 0 -11,-2.2 -11,-2.8 -2,-0.4 -31,-0.1 -0.875 26.6-136.0-125.9 154.4 -4.2 26.6 35.4 428 429 A G S S+ 0 0 11 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 0.442 85.3 14.4 -89.9 0.9 -6.3 23.7 34.2 429 430 A S S > S- 0 0 11 -13,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.978 76.0-106.4-160.8 165.3 -5.2 21.3 37.0 430 431 A E H > S+ 0 0 80 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.865 120.8 54.2 -57.6 -39.0 -3.6 21.0 40.4 431 432 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.905 103.2 52.1 -70.2 -43.5 -0.6 19.6 38.6 432 433 A D H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 111.9 47.6 -58.7 -42.3 -0.2 22.4 36.2 433 434 A R H X S+ 0 0 56 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 111.2 51.8 -61.2 -44.1 -0.2 24.9 39.1 434 435 A W H X S+ 0 0 52 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.914 106.5 54.0 -58.6 -41.2 2.3 22.6 40.9 435 436 A V H >X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.2 3,-0.6 0.941 108.4 49.7 -61.1 -44.8 4.6 22.6 37.8 436 437 A F H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.927 108.4 52.2 -57.3 -45.7 4.6 26.4 37.7 437 438 A Q H 3< S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.706 100.9 63.0 -69.6 -18.3 5.5 26.6 41.4 438 439 A Q H << S+ 0 0 72 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.807 125.4 8.3 -70.3 -32.6 8.5 24.3 41.0 439 440 A D XX + 0 0 45 -3,-1.0 3,-1.6 -4,-0.9 4,-0.7 -0.374 66.5 166.0-151.2 66.5 10.3 26.6 38.6 440 441 A P H >> S+ 0 0 34 0, 0.0 4,-3.6 0, 0.0 3,-1.0 0.811 76.3 64.5 -62.9 -29.2 8.7 30.1 38.3 441 442 A V H 34 S+ 0 0 70 1,-0.3 4,-0.3 2,-0.2 97,-0.2 0.836 99.8 56.1 -63.6 -24.7 11.7 31.7 36.6 442 443 A Q H <4 S+ 0 0 3 -3,-1.6 94,-2.8 -6,-0.2 -1,-0.3 0.825 128.4 11.4 -67.8 -30.4 11.0 29.2 33.7 443 444 A Y H X< S+ 0 0 4 -3,-1.0 3,-2.1 -4,-0.7 -2,-0.2 0.605 92.8 100.6-122.0 -23.5 7.4 30.5 33.3 444 445 A Q T 3< S+ 0 0 31 -4,-3.6 -3,-0.1 1,-0.3 -2,-0.1 0.760 90.7 36.7 -61.4 -33.6 6.6 33.6 35.2 445 446 A N T 3 S+ 0 0 79 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.3 0.338 87.8 115.6-102.3 12.1 6.8 36.3 32.5 446 447 A H < - 0 0 8 -3,-2.1 2,-0.5 90,-0.1 90,-0.1 -0.565 53.7-152.2 -73.7 138.7 5.4 34.1 29.7 447 448 A M - 0 0 56 -2,-0.3 -2,-0.1 88,-0.2 -3,-0.0 -0.966 6.9-140.3-114.8 123.0 2.0 35.4 28.4 448 449 A N > - 0 0 2 -2,-0.5 4,-2.5 -53,-0.1 5,-0.2 -0.177 36.9 -93.7 -73.2 171.4 -0.5 33.0 26.9 449 450 A I H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 127.7 48.2 -63.5 -32.1 -2.5 34.0 23.9 450 451 A V H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 109.1 53.9 -74.2 -38.1 -5.4 35.3 25.9 451 452 A D H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.926 110.8 47.5 -52.9 -45.0 -3.0 37.3 28.1 452 453 A R H <>S+ 0 0 22 -4,-2.5 5,-2.2 1,-0.2 6,-0.6 0.910 109.7 51.9 -65.3 -42.0 -1.7 38.8 25.0 453 454 A F H ><5S+ 0 0 16 -4,-2.1 3,-1.0 1,-0.2 5,-0.3 0.893 112.7 45.6 -56.9 -45.6 -5.2 39.6 23.7 454 455 A L H 3<5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.750 108.3 58.3 -75.2 -21.3 -6.1 41.4 26.9 455 456 A A T 3<5S- 0 0 60 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.305 117.4-105.7 -91.9 6.6 -2.9 43.3 27.0 456 457 A G T < 5S+ 0 0 36 -3,-1.0 -3,-0.2 2,-0.1 -2,-0.1 0.535 87.5 118.6 87.3 5.4 -3.4 45.0 23.6 457 458 A Q < + 0 0 96 -5,-2.2 2,-0.7 -6,-0.2 -4,-0.2 0.651 63.8 66.1 -81.5 -14.8 -0.9 42.9 21.7 458 459 A I S S- 0 0 1 -6,-0.6 -1,-0.1 -5,-0.3 8,-0.1 -0.922 85.8-136.3-113.8 107.9 -3.5 41.5 19.3 459 460 A Q S S+ 0 0 135 -2,-0.7 2,-0.1 6,-0.2 -6,-0.0 -0.946 85.2 26.9-120.0 133.3 -4.9 44.2 17.0 460 461 A P S S- 0 0 79 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 0.622 90.4-132.7 -70.4 157.7 -7.7 44.5 16.4 461 462 A M S S+ 0 0 81 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.444 71.0 102.5 -79.7 69.7 -8.9 42.9 19.6 462 463 A T S > S- 0 0 65 -2,-2.4 4,-2.3 1,-0.1 5,-0.2 -0.882 89.2 -98.2-140.0 170.9 -11.5 40.7 17.9 463 464 A L H > S+ 0 0 43 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.939 126.4 49.8 -60.3 -44.9 -11.7 37.0 16.9 464 465 A E H > S+ 0 0 109 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 109.4 51.4 -62.5 -38.4 -10.7 38.0 13.3 465 466 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 109.6 50.2 -63.4 -38.6 -7.7 40.0 14.7 466 467 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.879 108.4 53.0 -66.5 -39.3 -6.7 36.9 16.8 467 468 A L H <>S+ 0 0 9 -4,-2.7 5,-1.5 2,-0.2 4,-0.3 0.892 110.2 46.7 -63.1 -40.8 -6.9 34.7 13.7 468 469 A K H ><5S+ 0 0 89 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.916 110.9 52.7 -65.4 -39.3 -4.6 37.1 11.7 469 470 A Y H 3<5S+ 0 0 57 -4,-2.1 -305,-0.5 1,-0.3 -2,-0.2 0.864 100.8 62.6 -62.7 -33.1 -2.3 37.2 14.7 470 471 A M T 3<5S- 0 0 5 -4,-1.9 -305,-0.5 -307,-0.1 -1,-0.3 0.516 121.1-108.5 -73.3 -9.6 -2.2 33.3 14.6 471 472 A G T < 5 + 0 0 23 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.566 58.5 160.6 97.8 12.2 -0.7 33.5 11.1 472 473 A F < - 0 0 7 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0.916 107.3 49.9 -64.7 -36.8 36.6 17.6 21.6 622 132 B L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.890 110.5 51.7 -65.3 -37.8 35.9 18.4 17.9 623 133 B Q H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.964 112.4 44.2 -61.4 -52.1 32.6 16.3 18.4 624 134 B M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.913 115.7 49.2 -56.2 -46.7 31.6 18.3 21.5 625 135 B S H X S+ 0 0 3 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.929 108.9 50.3 -65.4 -42.8 32.5 21.6 19.9 626 136 B S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.871 107.8 54.8 -63.2 -35.0 30.6 20.9 16.7 627 137 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.874 106.5 52.1 -66.8 -35.3 27.6 20.0 18.7 628 138 B Y H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.929 108.7 48.2 -64.9 -46.8 27.8 23.4 20.4 629 139 B V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.2 0.926 110.0 56.1 -61.0 -39.0 28.0 25.3 17.1 630 140 B Q H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.946 109.0 44.0 -50.4 -52.1 24.9 23.2 16.0 631 141 B Q H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 121.5 38.8 -76.6 -17.5 22.8 24.2 18.9 632 142 B M H < S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.601 83.0 114.5-102.5 -21.4 23.7 27.9 18.8 633 143 B A < - 0 0 0 -4,-2.1 6,-0.1 -5,-0.2 -84,-0.1 -0.237 65.6-131.0 -60.7 145.8 23.9 28.7 15.1 634 144 B P S S+ 0 0 9 0, 0.0 2,-0.3 0, 0.0 -74,-0.2 0.322 84.0 47.6 -86.8 14.2 21.3 31.2 13.8 635 145 B A S > S- 0 0 0 -76,-0.1 4,-2.5 1,-0.1 3,-0.3 -0.981 72.3-133.1-149.9 140.2 20.1 29.2 10.8 636 146 B S H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.841 108.9 58.9 -60.5 -34.6 19.0 25.5 10.3 637 147 B T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.904 109.9 43.7 -63.7 -35.3 21.2 25.3 7.1 638 148 B I H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 3,-0.3 0.963 113.5 50.5 -68.2 -49.9 24.2 26.2 9.2 639 149 B S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.853 105.1 58.3 -57.2 -37.8 23.2 23.9 12.1 640 150 B N H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.918 103.8 50.6 -61.6 -43.1 22.7 21.0 9.7 641 151 B C H X S+ 0 0 6 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.895 111.4 50.5 -57.7 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E H >X S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.2 4,-0.8 0.936 109.9 50.0 -60.1 -47.2 43.6 -3.7 16.9 663 173 B L H >X S+ 0 0 3 -4,-3.2 4,-2.5 1,-0.3 3,-1.0 0.871 103.6 61.8 -58.8 -35.6 47.2 -2.5 17.1 664 174 B S H 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.723 94.4 63.1 -64.4 -22.0 47.3 -3.6 20.8 665 175 B L H << S+ 0 0 93 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.839 113.1 33.2 -72.8 -34.7 46.7 -7.2 19.6 666 176 B T H << S+ 0 0 52 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.803 132.9 33.2 -83.3 -32.9 50.0 -7.3 17.7 667 177 B Y >< + 0 0 39 -4,-2.5 3,-0.6 -5,-0.2 5,-0.4 -0.735 64.6 162.9-129.2 78.6 51.7 -5.0 20.2 668 178 B P T 3 + 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.496 69.4 61.5 -79.2 -4.9 50.4 -5.6 23.8 669 179 B D T 3 S+ 0 0 154 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 -0.123 81.0 78.4-114.1 36.7 53.3 -3.9 25.6 670 180 B A S < S- 0 0 18 -3,-0.6 -1,-0.2 2,-0.1 -6,-0.0 0.282 104.0-107.5-121.6 3.9 53.1 -0.3 24.3 671 181 B G >> + 0 0 6 -3,-0.3 3,-2.3 1,-0.2 4,-2.0 0.603 57.3 167.8 77.7 11.2 50.2 0.9 26.5 672 182 B L T 34 S+ 0 0 7 -5,-0.4 -1,-0.2 1,-0.3 -2,-0.1 -0.426 73.3 5.9 -64.3 123.6 47.8 1.0 23.5 673 183 B G T 34 S+ 0 0 27 -2,-0.3 -1,-0.3 -64,-0.1 -12,-0.1 0.460 127.1 70.7 83.1 1.8 44.3 1.5 24.9 674 184 B E T <4 S+ 0 0 135 -3,-2.3 -2,-0.2 -4,-0.0 4,-0.2 0.722 99.0 28.6-118.3 -37.9 45.7 1.9 28.4 675 185 B H S >X S+ 0 0 108 -4,-2.0 4,-2.1 1,-0.1 3,-0.6 0.473 78.4 107.5-114.8 1.1 47.6 5.2 28.8 676 186 B E H 3> S+ 0 0 1 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.807 80.5 53.7 -52.3 -39.8 45.9 7.7 26.3 677 187 B R H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 109.8 48.1 -61.2 -42.7 44.2 9.7 29.1 678 188 B E H <> S+ 0 0 104 -3,-0.6 4,-2.9 1,-0.2 5,-0.4 0.896 112.2 49.0 -67.0 -37.6 47.5 10.2 30.9 679 189 B L H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 7,-0.3 0.934 111.1 49.3 -63.4 -46.3 49.2 11.3 27.7 680 190 B W H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.915 119.7 38.8 -59.8 -38.9 46.4 13.7 26.9 681 191 B E H < S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.840 134.3 14.8 -78.8 -34.8 46.7 15.2 30.4 682 192 B K H < S+ 0 0 112 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.564 90.7 101.2-127.0 -14.1 50.4 15.1 31.0 683 193 B E >X - 0 0 66 -4,-2.1 3,-1.8 -5,-0.4 4,-0.8 -0.633 64.9-137.4 -78.7 128.3 52.5 14.6 27.8 684 194 B P H >> S+ 0 0 92 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.841 99.4 61.2 -54.3 -36.0 54.0 17.9 26.6 685 195 B G H 34 S+ 0 0 3 1,-0.2 4,-0.3 2,-0.2 108,-0.1 0.707 109.5 43.8 -67.2 -16.3 53.2 17.3 22.9 686 196 B W H <> S+ 0 0 0 -3,-1.8 4,-2.7 -7,-0.3 -1,-0.2 0.567 93.7 80.2 -98.8 -14.5 49.5 17.1 23.7 687 197 B Q H S+ 0 0 0 97,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.904 113.5 50.7 -64.1 -44.4 46.2 20.9 21.8 690 200 B R H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.930 112.6 46.4 -64.3 -42.1 44.5 20.3 25.2 691 201 B E H X S+ 0 0 47 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.927 111.7 52.1 -63.2 -45.9 44.8 24.0 26.1 692 202 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.938 114.7 41.6 -52.6 -47.6 43.5 25.0 22.7 693 203 B M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.880 110.9 53.3 -77.7 -38.3 40.5 22.8 23.0 694 204 B E H < S+ 0 0 0 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.921 116.4 41.5 -60.2 -42.4 39.6 23.5 26.7 695 205 B K H >< S+ 0 0 72 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.924 114.0 51.3 -70.2 -40.5 39.6 27.2 25.9 696 206 B Q H >< S+ 0 0 2 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.908 105.2 57.1 -62.9 -39.0 37.8 26.8 22.6 697 207 B L T 3< S+ 0 0 5 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.602 105.8 51.9 -66.5 -12.7 35.1 24.7 24.3 698 208 B T T < S+ 0 0 37 -3,-1.3 2,-1.0 -4,-0.3 -1,-0.3 0.263 79.2 103.2-109.4 13.7 34.4 27.6 26.6 699 209 B A < + 0 0 9 -3,-1.8 6,-0.1 1,-0.2 9,-0.1 -0.815 48.6 176.6 -90.4 100.0 34.0 30.2 23.8 700 210 B F + 0 0 26 -2,-1.0 2,-0.2 4,-0.1 -1,-0.2 0.648 41.0 103.6 -92.3 -17.1 30.2 30.4 24.0 701 211 B D S > S- 0 0 21 1,-0.2 4,-3.0 2,-0.1 5,-0.2 -0.508 72.2-134.3 -60.4 134.1 29.4 33.1 21.4 702 212 B W H > S+ 0 0 2 -154,-2.9 4,-2.3 1,-0.2 5,-0.2 0.889 102.8 46.2 -62.3 -39.7 28.1 31.2 18.3 703 213 B G H > S+ 0 0 0 -155,-0.3 4,-2.9 2,-0.2 5,-0.2 0.919 114.2 46.5 -70.9 -42.2 30.2 33.2 15.9 704 214 B E H > S+ 0 0 25 2,-0.2 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