==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAY-10 3N92 . COMPND 2 MOLECULE: ALPHA-AMYLASE, GH57 FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR C.R.SANTOS,C.C.C.TONOLI,D.M.TRINDADE,C.BETZEL,H.TAKATA,T.KUR . 550 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 1 0.2 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 . 31 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 1 0 2 2 1 1 2 0 0 1 1 0 0 0 2 1 1 0 0 0 1 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 4 1 0 3 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A M 0 0 121 0, 0.0 380,-0.1 0, 0.0 379,-0.1 0.000 360.0 360.0 360.0 156.8 3.7 17.0 37.0 2 2 A K - 0 0 89 378,-1.2 345,-0.4 1,-0.3 2,-0.3 0.879 360.0 -92.3 -89.1 -40.8 6.0 16.3 34.0 3 3 A G - 0 0 0 377,-0.3 379,-2.7 343,-0.2 2,-0.4 -0.991 46.8 -52.3 160.4-153.2 7.6 19.7 33.3 4 4 A Y E -ab 348 382A 45 343,-2.3 345,-2.8 -2,-0.3 2,-0.5 -0.969 29.1-172.4-127.9 130.2 7.2 22.9 31.2 5 5 A L E -a 349 0A 0 377,-3.3 2,-0.5 -2,-0.4 345,-0.2 -0.976 10.1-174.2-115.5 127.0 6.8 23.6 27.5 6 6 A T E -a 350 0A 0 343,-3.5 345,-3.0 -2,-0.5 2,-0.4 -0.955 11.5-156.2-127.8 119.9 7.0 27.1 26.2 7 7 A F E -a 351 0A 1 -2,-0.5 50,-2.2 48,-0.4 2,-0.6 -0.706 7.5-163.7 -82.7 132.8 6.3 28.3 22.6 8 8 A V E -ac 352 57A 0 343,-1.7 345,-2.1 -2,-0.4 2,-0.6 -0.931 5.1-160.9-123.5 106.8 7.9 31.5 21.7 9 9 A L E -ac 353 58A 0 48,-2.2 50,-3.0 -2,-0.6 2,-0.6 -0.775 5.9-151.1 -93.2 115.7 6.4 33.0 18.5 10 10 A H E -ac 354 59A 6 343,-3.0 345,-2.9 -2,-0.6 2,-0.7 -0.800 12.4-168.7 -94.9 119.2 8.5 35.6 16.8 11 11 A T E + c 0 60A 7 48,-0.8 50,-1.7 -2,-0.6 2,-0.4 -0.837 20.0 151.7-116.8 91.8 6.4 38.1 15.0 12 12 A H + 0 0 19 -2,-0.7 344,-0.1 48,-0.1 -2,-0.0 -0.910 17.3 156.5-138.2 121.0 8.2 40.5 12.6 13 13 A I - 0 0 4 -2,-0.4 3,-0.1 48,-0.1 -2,-0.0 -0.997 39.2-124.0-126.4 135.6 7.7 42.5 9.4 14 14 A P - 0 0 10 0, 0.0 2,-0.8 0, 0.0 3,-0.2 0.046 48.4 -65.3 -64.9-179.3 9.9 45.5 8.6 15 15 A Y S S+ 0 0 4 1,-0.2 49,-0.1 447,-0.1 11,-0.0 -0.630 70.6 144.8 -74.3 109.8 8.6 49.1 7.9 16 16 A V > + 0 0 0 -2,-0.8 3,-2.0 -3,-0.1 10,-0.7 0.442 20.9 129.3-125.0 -9.9 6.7 48.7 4.6 17 17 A R T 3 S- 0 0 2 1,-0.3 8,-0.0 -3,-0.2 4,-0.0 -0.208 86.3 -2.3 -52.2 139.3 3.8 51.1 5.1 18 18 A K T 3 S+ 0 0 74 1,-0.1 -1,-0.3 502,-0.1 3,-0.1 0.683 106.3 104.8 45.5 27.0 3.4 53.6 2.2 19 19 A H S < S- 0 0 21 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.044 97.7 -43.8-116.5 21.4 6.4 52.0 0.5 20 20 A G - 0 0 32 1,-0.1 6,-0.8 5,-0.1 7,-0.4 0.430 38.6-137.0 119.0 116.2 4.4 50.1 -2.1 21 21 A K S S+ 0 0 76 4,-0.2 6,-0.7 5,-0.2 -1,-0.1 0.670 74.7 70.5 -51.1 -27.1 1.2 47.9 -2.1 22 22 A W S S- 0 0 188 4,-0.1 2,-0.1 5,-0.1 -1,-0.1 -0.963 93.5 -7.0 177.8 138.1 2.5 45.3 -4.3 23 23 A P S S- 0 0 86 0, 0.0 -3,-0.1 0, 0.0 2,-0.0 -0.878 127.2 -1.5 -80.7 -35.5 4.2 43.0 -5.1 24 24 A F S > S+ 0 0 68 -2,-0.1 3,-0.8 3,-0.1 2,-0.1 0.064 108.0 54.3 -87.6-154.6 6.2 43.1 -1.9 25 25 A G T > S+ 0 0 0 1,-0.2 3,-2.5 2,-0.1 4,-0.5 -0.378 111.8 14.9 68.1-140.7 5.8 45.6 1.0 26 26 A E T >> S+ 0 0 4 -6,-0.8 4,-1.5 -10,-0.7 3,-1.0 0.739 114.5 75.0 -40.0 -43.0 2.4 46.3 2.6 27 27 A E H <> S+ 0 0 25 -3,-0.8 4,-2.5 -6,-0.7 -1,-0.3 0.815 89.1 57.3 -33.2 -52.3 1.1 43.0 1.1 28 28 A W H <> S+ 0 0 55 -3,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.883 104.1 51.3 -55.7 -45.1 3.0 40.9 3.6 29 29 A V H <> S+ 0 0 1 -3,-1.0 4,-2.6 -4,-0.5 -1,-0.2 0.906 110.3 48.9 -60.6 -40.1 1.4 42.6 6.5 30 30 A F H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 5,-0.3 0.876 110.4 52.9 -69.6 -35.6 -2.1 41.9 5.0 31 31 A E H X S+ 0 0 36 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.903 113.2 41.9 -60.9 -45.1 -1.0 38.3 4.4 32 32 A A H X>S+ 0 0 0 -4,-2.4 5,-2.6 3,-0.2 4,-2.2 0.876 112.1 54.2 -74.1 -39.1 0.0 37.9 8.1 33 33 A I H <>S+ 0 0 7 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.985 119.0 32.9 -57.2 -55.6 -2.9 39.7 9.5 34 34 A S H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.834 128.6 35.8 -74.2 -36.7 -5.5 37.5 7.7 35 35 A E H <5S+ 0 0 3 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.822 135.4 5.9 -86.2 -31.7 -3.6 34.2 7.6 36 36 A T T X5S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.799 118.3 49.5-121.4 -62.9 -1.8 34.4 11.0 37 37 A Y H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.873 110.2 47.5 -55.8 -38.9 -6.4 33.1 13.4 40 40 A L H X S+ 0 0 9 -4,-2.6 4,-4.1 2,-0.2 5,-0.3 0.931 109.8 52.5 -68.5 -40.8 -4.2 32.8 16.5 41 41 A L H X S+ 0 0 3 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.864 111.5 48.5 -57.8 -35.0 -6.2 35.4 18.3 42 42 A M H X S+ 0 0 52 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.815 113.6 45.6 -73.2 -32.5 -9.2 33.2 17.3 43 43 A E H X S+ 0 0 28 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.911 110.6 52.2 -79.4 -40.7 -7.6 30.1 18.6 44 44 A F H X S+ 0 0 3 -4,-4.1 4,-2.9 1,-0.2 -2,-0.2 0.916 111.6 48.6 -58.5 -38.4 -6.4 31.7 21.8 45 45 A E H X S+ 0 0 22 -4,-1.7 4,-2.3 -5,-0.3 5,-0.3 0.890 110.0 51.2 -69.3 -33.9 -10.0 32.8 22.3 46 46 A R H X S+ 0 0 103 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.882 113.4 45.5 -70.0 -35.3 -11.2 29.2 21.5 47 47 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.6 2,-0.2 3,-0.5 0.989 115.6 45.9 -67.0 -56.9 -8.8 27.8 24.1 48 48 A R H ><5S+ 0 0 40 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.918 113.9 46.3 -50.3 -59.1 -9.6 30.4 26.8 49 49 A D H 3<5S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.1 57.8 -57.6 -29.8 -13.4 30.2 26.5 50 50 A S T <<5S- 0 0 67 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.462 119.0-108.9 -88.1 2.6 -13.3 26.5 26.5 51 51 A G T < 5 + 0 0 48 -3,-2.0 2,-0.2 -4,-0.4 -3,-0.2 0.632 66.7 145.0 89.1 11.3 -11.5 26.4 29.9 52 52 A V < - 0 0 8 -5,-1.6 2,-0.4 -6,-0.2 -1,-0.3 -0.567 42.3-137.9 -72.2 144.0 -8.1 25.3 28.9 53 53 A K + 0 0 140 -2,-0.2 2,-0.3 321,-0.1 324,-0.0 -0.883 39.5 142.2-100.3 141.1 -5.2 26.7 30.8 54 54 A F - 0 0 17 -2,-0.4 2,-0.3 328,-0.1 331,-0.1 -0.959 32.4-151.0-165.6 164.7 -2.1 27.8 28.8 55 55 A G + 0 0 3 328,-0.4 -48,-0.4 -2,-0.3 2,-0.3 -0.986 14.1 174.5-143.7 150.8 0.6 30.2 28.4 56 56 A I E - d 0 136A 0 79,-1.5 81,-2.3 -2,-0.3 2,-0.4 -0.985 25.1-132.7-154.9 143.8 2.6 31.4 25.4 57 57 A V E -cd 8 137A 0 -50,-2.2 -48,-2.2 -2,-0.3 2,-0.5 -0.886 24.0-168.1-101.3 133.4 5.2 34.1 24.8 58 58 A I E -cd 9 138A 7 79,-2.8 81,-2.2 -2,-0.4 2,-0.5 -0.975 11.0-151.3-129.6 120.1 4.6 36.3 21.8 59 59 A N E +cd 10 139A 0 -50,-3.0 -48,-0.8 -2,-0.5 2,-0.4 -0.765 15.3 179.7 -82.5 129.4 7.2 38.6 20.3 60 60 A V E -c 11 0A 7 79,-1.9 81,-0.2 -2,-0.5 -48,-0.1 -0.987 26.0-130.5-127.3 122.6 5.6 41.5 18.6 61 61 A T > - 0 0 0 -50,-1.7 4,-2.8 -2,-0.4 3,-0.3 -0.522 11.7-126.1 -76.2 138.2 8.2 43.9 17.1 62 62 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.902 114.3 51.9 -43.7 -49.6 8.0 47.6 17.9 63 63 A V H > S+ 0 0 0 80,-1.6 4,-0.9 79,-0.3 5,-0.1 0.923 112.5 45.9 -59.9 -40.6 8.1 48.3 14.2 64 64 A L H >> S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 3,-1.8 0.978 109.2 52.3 -63.0 -56.4 5.2 45.8 13.6 65 65 A A H 3X S+ 0 0 3 -4,-2.8 4,-1.2 1,-0.3 -1,-0.2 0.828 105.5 57.8 -51.1 -34.7 3.0 47.0 16.4 66 66 A E H 3< S+ 0 0 13 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.783 110.0 42.3 -71.2 -26.7 3.3 50.5 15.0 67 67 A Q H << S+ 0 0 3 -3,-1.8 3,-0.5 -4,-0.9 -1,-0.2 0.714 108.3 59.9 -86.0 -26.0 1.9 49.5 11.6 68 68 A L H < S+ 0 0 9 -4,-2.0 55,-0.3 1,-0.2 -2,-0.2 0.756 109.8 42.5 -75.5 -23.6 -0.8 47.3 13.2 69 69 A T S < S+ 0 0 50 -4,-1.2 2,-0.6 -5,-0.2 -1,-0.2 0.383 86.9 114.0 -98.4 -0.5 -2.2 50.4 15.0 70 70 A D >> - 0 0 18 -3,-0.5 4,-2.0 1,-0.1 3,-0.7 -0.653 60.9-146.6 -82.2 114.3 -1.9 52.8 12.0 71 71 A E H 3> S+ 0 0 104 -2,-0.6 4,-1.6 1,-0.3 5,-0.1 0.730 97.8 57.6 -51.0 -27.7 -5.4 53.9 10.7 72 72 A Y H 3> S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.961 107.9 45.3 -69.0 -49.2 -4.1 54.0 7.2 73 73 A M H <> S+ 0 0 7 -3,-0.7 4,-1.7 1,-0.2 -2,-0.2 0.829 107.4 58.3 -65.1 -35.5 -3.0 50.3 7.2 74 74 A K H >X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 3,-0.5 0.972 110.8 42.2 -57.7 -51.8 -6.2 49.1 8.8 75 75 A K H 3X S+ 0 0 118 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.923 111.3 55.6 -56.8 -50.7 -8.3 50.6 5.9 76 76 A A H 3X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.781 109.1 48.7 -53.2 -31.7 -5.7 49.3 3.4 77 77 A F H < S+ 0 0 40 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.940 112.8 41.6 -67.3 -49.9 -16.2 29.6 -6.7 93 93 A K H 3< S+ 0 0 159 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.869 101.8 74.0 -61.1 -38.2 -18.6 30.7 -9.5 94 94 A S H 3< S- 0 0 53 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.761 86.2-147.8 -50.0 -34.2 -16.0 30.1 -12.1 95 95 A G << + 0 0 53 -3,-0.7 -1,-0.2 -4,-0.6 4,-0.1 0.140 65.7 113.8 84.6 -20.0 -16.3 26.3 -12.0 96 96 A K S S+ 0 0 151 -5,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.489 72.8 41.7 -68.6 -7.9 -12.5 25.9 -12.8 97 97 A Y S S- 0 0 36 -6,-0.4 -2,-0.2 -5,-0.1 5,-0.0 -0.994 101.0 -76.8-142.0 150.1 -11.5 24.5 -9.4 98 98 A D > - 0 0 65 -2,-0.3 4,-2.0 1,-0.2 5,-0.3 -0.082 34.4-143.9 -41.9 125.2 -12.9 22.0 -6.9 99 99 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.698 96.9 61.2 -71.7 -17.5 -15.8 23.5 -4.9 100 100 A K H > S+ 0 0 107 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.981 110.2 38.3 -70.9 -52.3 -14.7 21.7 -1.7 101 101 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.913 119.8 44.9 -59.9 -54.7 -11.3 23.4 -1.6 102 102 A V H X S+ 0 0 0 -4,-2.0 4,-3.5 1,-0.2 -1,-0.2 0.917 114.9 49.0 -59.4 -45.1 -12.3 26.9 -2.8 103 103 A S H X S+ 0 0 36 -4,-1.4 4,-2.9 -5,-0.3 5,-0.3 0.899 108.7 51.1 -67.5 -41.3 -15.4 26.9 -0.5 104 104 A Y H X S+ 0 0 63 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.970 115.9 43.3 -57.7 -53.7 -13.5 25.8 2.7 105 105 A M H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.936 112.5 54.7 -53.9 -49.6 -11.0 28.6 2.0 106 106 A L H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.956 113.1 39.3 -50.8 -59.0 -13.8 31.0 1.2 107 107 A N H X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.808 111.6 59.7 -66.7 -29.8 -15.6 30.5 4.4 108 108 A Y H X S+ 0 0 46 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.971 109.9 41.4 -57.3 -54.6 -12.4 30.3 6.4 109 109 A F H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.855 109.3 57.1 -70.4 -36.5 -11.4 33.8 5.3 110 110 A R H X S+ 0 0 87 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.938 107.4 51.8 -47.1 -49.9 -14.9 35.4 5.7 111 111 A K H X S+ 0 0 138 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.878 107.0 51.5 -63.8 -39.2 -14.7 34.2 9.3 112 112 A V H >X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 3,-0.7 0.993 111.6 47.9 -52.7 -59.0 -11.3 35.9 9.7 113 113 A Y H 3X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.3 5,-0.3 0.859 106.6 55.3 -56.8 -41.9 -12.9 39.1 8.3 114 114 A D H 3X S+ 0 0 91 -4,-3.1 4,-2.6 1,-0.2 -1,-0.3 0.926 110.4 47.9 -53.9 -42.9 -15.9 38.9 10.6 115 115 A Y H S+ 0 0 4 -4,-2.0 5,-3.5 2,-0.2 3,-0.5 0.911 114.9 38.6 -56.8 -46.9 -11.4 41.6 12.3 117 117 A K H ><5S+ 0 0 101 -4,-2.2 3,-2.4 3,-0.2 -2,-0.2 0.909 109.6 61.8 -66.4 -46.3 -14.5 43.9 12.2 118 118 A A H 3<5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.556 115.9 32.6 -60.6 -15.0 -15.8 42.3 15.4 119 119 A I T ><5S- 0 0 26 -4,-0.7 3,-3.2 -3,-0.5 -1,-0.3 0.024 112.0-120.5-126.2 19.2 -12.7 43.6 17.2 120 120 A N T < 5 - 0 0 131 -3,-2.4 -3,-0.2 1,-0.3 -4,-0.1 0.824 63.5 -65.8 48.1 39.8 -12.4 46.7 15.1 121 121 A G T 3 + 0 0 64 -3,-3.2 4,-2.2 -6,-0.3 -1,-0.2 -0.530 6.4 150.1 -87.5 77.2 -7.5 46.1 17.3 123 123 A I H > S+ 0 0 4 -2,-1.9 4,-2.4 -55,-0.3 5,-0.2 0.975 74.6 50.1 -68.9 -55.5 -5.0 43.3 17.2 124 124 A I H > S+ 0 0 4 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.892 110.9 55.7 -49.5 -39.2 -2.6 44.9 19.5 125 125 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 105.9 45.1 -58.6 -56.5 -5.6 45.4 21.7 126 126 A K H X S+ 0 0 34 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.869 112.4 55.6 -55.4 -35.4 -6.7 41.8 22.0 127 127 A L H X S+ 0 0 12 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.906 106.2 49.1 -66.3 -42.1 -3.1 41.0 22.6 128 128 A R H X S+ 0 0 81 -4,-2.2 4,-2.0 -5,-0.2 3,-0.4 0.971 110.7 51.8 -59.2 -53.2 -3.0 43.4 25.5 129 129 A E H >X S+ 0 0 68 -4,-2.5 4,-2.8 1,-0.2 3,-0.6 0.933 108.8 49.4 -42.4 -61.7 -6.2 41.8 26.9 130 130 A L H 3<>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.3 6,-0.8 0.815 107.9 53.8 -56.8 -33.0 -4.8 38.3 26.7 131 131 A Q H ><5S+ 0 0 17 -4,-1.7 3,-0.5 -3,-0.4 -1,-0.3 0.910 111.3 46.2 -67.5 -39.4 -1.7 39.4 28.5 132 132 A D H <<5S+ 0 0 109 -4,-2.0 -2,-0.2 -3,-0.6 -1,-0.2 0.899 106.3 56.9 -65.3 -46.5 -3.8 40.8 31.3 133 133 A Q T 3<5S- 0 0 84 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.522 119.5-119.0 -65.1 -4.0 -5.9 37.7 31.4 134 134 A G T < 5S+ 0 0 40 -3,-0.5 251,-0.2 -5,-0.3 -3,-0.2 0.421 87.3 104.2 85.0 -0.9 -2.5 36.1 32.0 135 135 A Y S - 0 0 0 38,-0.4 3,-2.5 -2,-0.2 -79,-0.3 -0.552 67.8 -99.7 -62.9 140.9 15.0 46.3 19.1 143 143 A A T 3 S+ 0 0 0 17,-2.1 -80,-1.6 1,-0.3 -1,-0.1 0.822 118.4 12.8 -30.3 -64.1 12.9 49.1 17.6 144 144 A T T 3 S- 0 0 3 -82,-0.1 322,-0.5 317,-0.1 323,-0.3 -0.016 109.0-107.2-110.0 27.6 13.4 48.0 13.9 145 145 A H < - 0 0 0 -3,-2.5 321,-1.0 320,-0.2 -2,-0.1 0.847 58.8-178.8 58.2 32.6 14.9 44.6 14.8 146 146 A G B -F 465 0C 0 319,-0.2 2,-1.9 320,-0.1 319,-0.2 -0.261 40.1-100.8 -67.3 155.1 18.3 46.0 13.7 147 147 A Y > - 0 0 0 317,-1.0 3,-1.6 1,-0.2 -1,-0.1 -0.517 41.3-171.7 -83.5 80.5 21.4 43.9 13.8 148 148 A L G > S+ 0 0 2 -2,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.744 74.1 61.9 -45.9 -46.1 22.8 45.2 17.1 149 149 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.862 108.2 44.0 -49.3 -42.0 26.2 43.4 16.9 150 150 A L G < S+ 0 0 0 -3,-1.6 2,-0.3 44,-0.1 -2,-0.2 -0.161 85.6 118.5-103.5 41.3 27.2 45.2 13.7 151 151 A L < - 0 0 0 -3,-1.5 6,-0.0 1,-0.1 274,-0.0 -0.833 62.0-133.4-104.3 148.3 26.1 48.7 14.6 152 152 A G S S+ 0 0 4 -2,-0.3 2,-0.4 273,-0.1 -1,-0.1 0.878 81.1 37.5 -69.9 -44.4 28.6 51.5 14.8 153 153 A R > - 0 0 51 1,-0.1 4,-1.7 47,-0.1 3,-0.4 -0.907 67.3-135.0-117.8 137.6 27.9 53.3 18.0 154 154 A D H > S+ 0 0 40 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.827 112.4 62.3 -48.7 -33.8 26.7 51.9 21.4 155 155 A E H > S+ 0 0 30 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.936 98.2 51.6 -60.3 -49.4 24.3 54.8 21.1 156 156 A A H > S+ 0 0 2 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.927 114.3 44.0 -52.2 -51.5 22.7 53.4 18.0 157 157 A I H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.878 114.1 51.8 -54.9 -42.9 22.2 50.1 19.9 158 158 A R H X S+ 0 0 52 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.881 111.0 45.9 -70.2 -37.5 21.0 52.1 22.9 159 159 A A H X S+ 0 0 0 -4,-3.7 4,-1.5 2,-0.2 -1,-0.2 0.812 110.1 57.1 -73.4 -30.1 18.5 54.0 20.8 160 160 A Q H X S+ 0 0 0 -4,-1.9 -17,-2.1 -5,-0.3 4,-1.2 0.986 112.6 37.7 -61.0 -59.4 17.5 50.7 19.3 161 161 A I H >X S+ 0 0 1 -4,-2.6 4,-2.5 -19,-0.2 3,-0.5 0.918 112.1 59.5 -56.7 -47.8 16.6 49.0 22.7 162 162 A A H 3X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.854 106.7 45.1 -56.3 -40.2 15.1 52.2 24.1 163 163 A N H 3X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 5,-0.3 0.760 109.3 58.2 -76.9 -23.8 12.4 52.5 21.5 164 164 A G H X S+ 0 0 7 -4,-2.4 4,-2.9 -5,-0.3 3,-1.9 0.988 113.7 46.4 -49.7 -59.2 6.0 48.1 23.9 169 169 A E H 3X S+ 0 0 65 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.876 105.9 57.6 -54.9 -45.0 5.0 50.2 26.9 170 170 A K H 3< S+ 0 0 92 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.769 119.6 32.6 -54.0 -26.0 3.0 52.7 24.8 171 171 A H H << S+ 0 0 23 -3,-1.9 -2,-0.2 -4,-1.4 -1,-0.2 0.856 125.5 35.1 -99.3 -45.4 1.0 49.7 23.6 172 172 A F H < S- 0 0 6 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.444 99.0-122.7 -99.8 -0.9 0.8 47.1 26.4 173 173 A G S < S+ 0 0 68 -4,-1.8 2,-0.3 -5,-0.4 -4,-0.1 0.646 80.1 61.7 76.9 17.9 0.6 49.6 29.3 174 174 A M S S- 0 0 61 -6,-0.2 -2,-0.2 -5,-0.1 -3,-0.1 -0.966 90.8 -76.3-168.5 154.4 3.7 48.3 31.2 175 175 A K - 0 0 106 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.136 48.4-114.5 -51.3 144.2 7.4 47.8 30.9 176 176 A P - 0 0 4 0, 0.0 -37,-0.1 0, 0.0 -1,-0.1 -0.481 28.6-179.0 -71.1 157.0 8.7 45.0 28.8 177 177 A K + 0 0 53 -39,-0.3 39,-0.9 1,-0.2 38,-0.7 0.414 67.0 57.7-134.5 -21.1 10.5 42.2 30.8 178 178 A G B -g 216 0D 0 -40,-0.3 -38,-2.5 37,-0.2 2,-0.4 -0.913 61.6-166.8-113.7 145.9 11.3 40.1 27.8 179 179 A I B -e 140 0B 1 37,-1.7 2,-0.9 -2,-0.4 39,-0.4 -0.989 16.6-148.3-129.7 124.9 13.3 40.9 24.6 180 180 A W - 0 0 0 -40,-3.2 -38,-0.4 -2,-0.4 37,-0.1 -0.860 30.6-136.0 -82.0 110.0 13.5 38.9 21.4 181 181 A L > - 0 0 0 -2,-0.9 3,-3.7 37,-0.2 -40,-0.1 -0.623 31.4 -96.9 -65.4 118.9 17.0 39.8 20.3 182 182 A P G > S- 0 0 2 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.168 104.1 -16.8 -35.7 105.4 17.0 40.5 16.6 183 183 A E G 3 S- 0 0 6 1,-0.3 224,-2.7 223,-0.1 225,-0.2 0.581 108.4 -84.7 68.0 14.7 18.1 37.2 15.1 184 184 A C G < S+ 0 0 2 -3,-3.7 2,-0.8 222,-0.2 36,-0.4 0.837 77.9 169.4 51.5 35.3 19.4 36.1 18.5 185 185 A A < + 0 0 1 -3,-1.8 2,-0.3 221,-0.1 221,-0.3 -0.706 11.0 178.1 -86.2 109.9 22.5 38.0 17.4 186 186 A Y B +K 405 0E 1 219,-3.6 219,-1.1 -2,-0.8 18,-0.0 -0.832 22.9 179.4-127.3 149.2 24.7 38.3 20.5 187 187 A R - 0 0 16 -2,-0.3 18,-3.1 217,-0.2 19,-0.3 -0.990 15.6-147.0-146.6 137.9 28.0 39.6 21.8 188 188 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 14,-0.1 -0.210 54.1 -67.0 -79.2-177.1 29.9 39.7 25.2 189 189 A A S S+ 0 0 65 15,-0.1 2,-0.3 -2,-0.1 14,-0.2 -0.499 87.1 87.6 -71.3 145.2 32.2 42.6 26.1 190 190 A G E S-L 202 0F 33 12,-2.5 12,-2.0 -2,-0.2 2,-0.4 -0.992 76.4 -54.3 161.7-166.7 35.4 42.8 23.9 191 191 A E E -L 201 0F 101 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.919 53.4-169.8-110.4 137.9 37.0 44.1 20.8 192 192 A W E -L 200 0F 51 8,-1.7 8,-1.0 -2,-0.4 2,-0.3 -0.932 23.7-122.1-135.6 150.3 35.4 43.3 17.4 193 193 A E E - 0 0 141 -2,-0.3 5,-0.1 6,-0.2 6,-0.1 -0.720 32.5-164.8 -87.7 138.4 35.9 43.5 13.6 194 194 A L E > -L 197 0F 0 3,-0.6 3,-0.6 -2,-0.3 2,-0.5 -0.927 38.2 -75.1-125.4 152.4 33.4 45.5 11.6 195 195 A P T 3 S+ 0 0 6 0, 0.0 3,-0.1 0, 0.0 223,-0.0 -0.212 124.1 23.2 -43.1 94.9 32.4 45.8 7.8 196 196 A G T 3 S- 0 0 62 -2,-0.5 2,-3.0 1,-0.1 3,-0.1 0.746 127.1 -75.7 110.2 41.7 35.4 47.9 6.6 197 197 A G E < S+L 194 0F 53 -3,-0.6 -3,-0.6 1,-0.2 -1,-0.1 -0.199 81.3 155.8 69.9 -50.1 38.2 47.3 9.1 198 198 A R E - 0 0 78 -2,-3.0 -1,-0.2 -5,-0.1 -6,-0.1 0.324 31.2-153.7 -6.7 74.1 36.2 49.6 11.5 199 199 A K E - 0 0 149 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.2 -0.180 13.7-168.5 -59.7 156.8 37.5 48.4 14.9 200 200 A V E -L 192 0F 18 -8,-1.0 -8,-1.7 2,-0.0 2,-0.5 -0.998 21.4-150.0-151.5 148.2 35.3 48.8 18.0 201 201 A K E +L 191 0F 168 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.971 34.3 158.1-123.8 118.6 35.4 48.6 21.8 202 202 A R E -L 190 0F 22 -12,-2.0 -12,-2.5 -2,-0.5 3,-0.1 -0.970 38.8-125.7-143.3 144.7 32.1 47.6 23.5 203 203 A Q - 0 0 66 -2,-0.3 2,-0.1 -14,-0.2 -13,-0.1 -0.043 57.4 -70.5 -66.3-173.5 30.6 46.2 26.6 204 204 A G >> - 0 0 0 -15,-0.1 4,-1.2 1,-0.1 3,-0.6 -0.462 30.2-119.5 -88.8 159.7 28.2 43.2 26.3 205 205 A I H >> S+ 0 0 6 -18,-3.1 4,-1.9 1,-0.3 3,-0.6 0.954 114.3 60.0 -57.6 -51.9 24.7 42.9 24.8 206 206 A E H 3> S+ 0 0 14 -19,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.816 100.6 59.1 -46.0 -31.9 23.4 41.7 28.2 207 207 A K H <> S+ 0 0 58 -3,-0.6 4,-1.2 2,-0.2 3,-0.3 0.951 101.4 49.9 -66.1 -49.6 24.6 45.0 29.5 208 208 A F H << S+ 0 0 2 -4,-1.2 4,-0.4 -3,-0.6 3,-0.3 0.855 110.7 53.1 -56.0 -38.1 22.5 47.2 27.2 209 209 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.9 1,-0.2 3,-1.4 0.866 100.6 60.8 -62.2 -39.7 19.6 45.1 28.3 210 210 A E H ><5S+ 0 0 54 -4,-1.7 3,-1.0 -3,-0.3 -1,-0.2 0.813 90.5 68.1 -61.5 -31.0 20.4 45.7 32.0 211 211 A E T 3<5S+ 0 0 93 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.747 113.1 31.1 -62.8 -25.9 19.9 49.5 31.6 212 212 A F T < 5S- 0 0 52 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.278 114.0-120.5-111.3 6.4 16.2 48.8 31.0 213 213 A G T < 5 + 0 0 36 -3,-1.0 2,-0.8 -4,-0.3 -3,-0.2 0.956 41.8 178.5 52.7 54.6 16.2 45.8 33.2 214 214 A L < - 0 0 1 -5,-1.9 -1,-0.2 -8,-0.2 -36,-0.1 -0.844 17.8-153.4 -84.7 114.7 15.1 43.4 30.6 215 215 A R + 0 0 108 -2,-0.8 42,-2.5 -38,-0.7 2,-0.3 0.662 57.4 4.4 -69.4 -21.2 15.1 40.2 32.5 216 216 A Y E +gh 178 257D 0 -39,-0.9 -37,-1.7 40,-0.2 2,-0.3 -0.999 48.7 179.1-161.3 159.2 15.7 37.6 29.7 217 217 A F E - h 0 258D 0 40,-1.4 42,-2.7 -2,-0.3 2,-0.4 -0.912 27.5 -99.3-152.7-174.0 16.4 36.6 26.0 218 218 A F E - h 0 259D 3 -39,-0.4 2,-0.3 -2,-0.3 42,-0.2 -0.877 25.7-176.0-120.4 144.3 17.0 33.7 23.6 219 219 A V E - h 0 260D 2 40,-2.7 42,-1.6 -2,-0.4 2,-0.1 -0.841 34.3 -95.9-125.0 164.9 20.0 32.2 22.0 220 220 A E - 0 0 15 -36,-0.4 4,-0.4 -2,-0.3 3,-0.3 -0.442 40.8-111.1 -72.8 157.7 20.7 29.5 19.4 221 221 A S S >> S+ 0 0 0 1,-0.2 3,-2.7 2,-0.2 4,-2.2 0.934 112.5 63.7 -59.1 -49.8 21.4 26.0 20.8 222 222 A R H 3> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.877 94.6 62.9 -41.9 -48.5 25.1 25.9 19.8 223 223 A L H 34 S+ 0 0 3 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.681 117.7 24.9 -53.9 -24.5 25.7 28.8 22.2 224 224 A I H <4 S+ 0 0 0 -3,-2.7 -1,-0.2 -4,-0.4 -2,-0.2 0.610 132.7 33.8-114.5 -22.1 24.7 26.7 25.2 225 225 A D H < S- 0 0 7 -4,-2.2 17,-0.3 -3,-0.1 -3,-0.2 0.320 95.1-130.9-115.9 8.8 25.3 23.1 24.2 226 226 A E < + 0 0 136 -4,-2.4 -4,-0.2 -5,-0.4 -3,-0.1 0.924 58.6 141.6 37.9 67.4 28.4 23.8 22.0 227 227 A G - 0 0 11 1,-0.1 -1,-0.2 14,-0.1 12,-0.1 -0.760 59.0 -63.3-129.7 172.5 26.9 21.7 19.2 228 228 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.360 45.5-164.0 -61.0 136.4 26.7 21.7 15.4 229 229 A A - 0 0 21 181,-0.1 7,-0.1 7,-0.1 181,-0.1 -0.884 18.1-129.0-131.5 101.5 24.7 24.8 14.1 230 230 A S - 0 0 17 -2,-0.4 181,-0.4 180,-0.1 180,-0.2 -0.152 1.4-142.2 -65.8 138.7 23.5 24.5 10.5 231 231 A N S S+ 0 0 98 178,-0.3 -1,-0.1 179,-0.2 180,-0.1 0.739 75.0 91.1 -68.5 -33.1 24.1 27.2 7.8 232 232 A V 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-0.613 38.2-118.7 -72.2 145.8 4.7 32.3 30.3 386 386 A L H > S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.833 103.3 52.5 -68.9 -41.9 8.4 33.0 30.8 387 387 A S H >> S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.936 109.9 49.7 -62.9 -46.8 8.6 35.8 33.3 388 388 A R H >> S+ 0 0 153 1,-0.2 4,-2.4 2,-0.2 3,-1.0 0.973 107.3 56.6 -47.1 -59.7 6.4 34.1 35.8 389 389 A F H 3< S+ 0 0 21 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.767 107.8 48.7 -43.3 -36.4 8.5 31.0 35.4 390 390 A L H << S+ 0 0 31 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.805 109.8 48.5 -80.7 -31.6 11.6 33.1 36.4 391 391 A E H << S+ 0 0 125 -4,-1.8 -2,-0.2 -3,-1.0 -1,-0.2 0.840 122.7 35.7 -71.4 -34.1 10.0 34.7 39.5 392 392 A E S < S+ 0 0 131 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.375 93.1 118.5 -99.8 0.1 8.8 31.3 40.7 393 393 A Y + 0 0 45 -5,-0.4 -3,-0.1 -4,-0.2 -4,-0.0 -0.475 31.5 169.6 -65.7 136.6 11.9 29.5 39.4 394 394 A S + 0 0 116 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.1 -0.036 32.5 113.9-142.9 34.8 14.0 27.8 42.1 395 395 A G S S- 0 0 37 1,-0.1 2,-0.5 -50,-0.0 -148,-0.0 -0.002 79.5 -66.7 -84.5-162.4 16.6 25.6 40.4 396 396 A E - 0 0 152 1,-0.1 2,-2.3 -2,-0.0 -1,-0.1 -0.840 48.4-121.3 -96.4 130.6 20.4 26.1 40.4 397 397 A K - 0 0 132 -2,-0.5 -148,-0.1 -148,-0.1 -1,-0.1 -0.374 31.7-160.9 -79.0 72.1 21.5 29.2 38.7 398 398 A H - 0 0 55 -2,-2.3 -148,-2.3 -150,-0.3 2,-0.4 -0.213 4.5-153.1 -53.1 128.3 23.9 27.8 36.0 399 399 A E E +j 250 0D 110 -150,-0.2 2,-0.3 -148,-0.1 -148,-0.2 -0.882 18.8 168.0-110.0 140.7 26.3 30.4 34.6 400 400 A I E -j 251 0D 20 -150,-1.3 -148,-1.0 -2,-0.4 2,-0.5 -0.949 30.7-132.0-139.9 155.8 27.9 30.3 31.1 401 401 A E - 0 0 145 -2,-0.3 -150,-0.1 -150,-0.2 -2,-0.0 -0.981 29.1-144.2-107.7 124.9 29.9 32.8 29.1 402 402 A L - 0 0 7 -2,-0.5 3,-0.1 1,-0.1 -178,-0.1 -0.681 8.3-153.8 -93.5 140.0 28.6 33.0 25.5 403 403 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -217,-0.1 0.069 50.7 -40.3 -85.4-154.9 30.7 33.5 22.4 404 404 A E S S+ 0 0 94 -217,-0.1 2,-0.2 -219,-0.0 -217,-0.2 -0.383 76.9 141.9 -67.4 147.3 29.7 35.0 19.0 405 405 A G B +K 186 0E 0 -219,-1.1 -219,-3.6 -3,-0.1 7,-0.3 -0.853 33.3 177.2 176.7 149.8 26.2 34.1 17.6 406 406 A S - 0 0 0 -221,-0.3 -222,-0.2 5,-0.2 -186,-0.2 -0.704 45.5-108.1-130.8-167.2 22.9 34.6 15.9 407 407 A W S S+ 0 0 13 -224,-2.7 -173,-0.4 -2,-0.2 -223,-0.1 0.024 92.8 67.8-111.8 27.0 20.1 32.0 15.2 408 408 A G S > S+ 0 0 6 4,-0.3 3,-0.9 1,-0.3 2,-0.5 0.343 92.2 5.4-113.9-126.1 20.7 31.9 11.4 409 409 A A G > S- 0 0 13 1,-0.3 3,-1.5 3,-0.2 5,-0.4 -0.606 137.9 -13.5 -75.0 120.1 23.4 30.7 9.0 410 410 A N G 3 S- 0 0 70 -2,-0.5 -1,-0.3 1,-0.3 -179,-0.2 0.451 108.1 -93.0 64.8 5.9 26.1 28.9 11.0 411 411 A S G < S+ 0 0 1 -3,-0.9 -1,-0.3 -181,-0.4 -5,-0.2 0.874 106.7 89.5 45.2 40.7 24.4 30.4 14.1 412 412 A D S X S- 0 0 41 -3,-1.5 3,-0.6 -7,-0.3 -4,-0.3 -0.740 100.9 -70.1-139.9-164.5 27.0 33.3 13.7 413 413 A H G >> S+ 0 0 6 -2,-0.2 3,-2.3 1,-0.2 4,-1.3 0.515 90.8 108.3 -73.4 -7.3 27.1 36.6 11.8 414 414 A S G 34 + 0 0 39 -5,-0.4 -1,-0.2 1,-0.3 -4,-0.1 0.637 69.9 60.9 -50.0 -26.7 27.3 35.2 8.2 415 415 A T G <4 S+ 0 0 7 -3,-0.6 58,-0.3 -6,-0.3 -1,-0.3 0.599 116.4 31.2 -81.0 -9.5 23.7 36.2 7.0 416 416 A W T <4 S+ 0 0 0 -3,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.545 117.8 55.3-120.9 -17.0 24.3 39.9 7.6 417 417 A W S < S+ 0 0 62 -4,-1.3 -1,-0.2 4,-0.0 2,-0.2 -0.923 83.8 86.9-125.1 102.4 28.0 40.2 6.8 418 418 A N S > S- 0 0 40 -2,-0.5 4,-1.0 -3,-0.1 -3,-0.1 -0.746 84.0 -51.6-159.0-151.9 29.0 38.9 3.4 419 419 A E T 4 S+ 0 0 169 -2,-0.2 4,-0.3 1,-0.2 3,-0.1 0.957 123.6 40.5 -68.2 -57.6 29.5 39.4 -0.4 420 420 A E T 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.550 123.3 36.3 -77.4 -11.2 26.1 40.9 -1.3 421 421 A T T >> S+ 0 0 0 2,-0.1 3,-3.1 1,-0.1 4,-0.6 0.634 81.3 93.4-118.8 -20.3 25.6 43.2 1.7 422 422 A E T 3< S+ 0 0 83 -4,-1.0 -2,-0.1 1,-0.3 -3,-0.1 0.740 80.4 70.5 -50.9 -20.7 29.0 44.6 2.8 423 423 A W T 34 S+ 0 0 71 -4,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.655 93.0 56.3 -69.2 -18.2 28.0 47.6 0.5 424 424 A T T X> S+ 0 0 0 -3,-3.1 3,-1.3 2,-0.1 4,-1.2 0.939 86.2 71.4 -80.6 -51.8 25.3 48.7 3.0 425 425 A W H 3X S+ 0 0 0 -4,-0.6 4,-2.7 1,-0.3 5,-0.4 0.764 90.8 61.9 -43.7 -44.6 27.1 49.2 6.3 426 426 A P H 3> S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.944 105.3 47.5 -38.5 -61.4 28.9 52.3 5.0 427 427 A H H <> S+ 0 0 36 -3,-1.3 4,-2.6 -4,-0.5 -2,-0.2 0.875 116.9 44.7 -49.9 -45.5 25.5 54.1 4.6 428 428 A I H X S+ 0 0 0 -4,-1.2 4,-3.3 2,-0.2 5,-0.2 1.000 113.2 45.9 -62.4 -71.5 24.5 53.0 8.0 429 429 A Y H X S+ 0 0 6 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.717 116.6 49.2 -48.8 -27.0 27.7 53.8 10.0 430 430 A R H X S+ 0 0 104 -4,-2.2 4,-2.5 -5,-0.4 -1,-0.2 0.977 113.0 43.2 -74.3 -62.1 27.7 57.1 8.2 431 431 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.890 114.1 54.6 -47.2 -48.1 24.1 58.0 8.9 432 432 A E H X S+ 0 0 2 -4,-3.3 4,-1.8 2,-0.2 3,-0.3 0.956 109.4 45.8 -45.2 -64.0 24.6 56.7 12.5 433 433 A D H X S+ 0 0 31 -4,-1.7 4,-2.7 1,-0.2 3,-0.2 0.896 110.5 53.3 -46.8 -54.2 27.6 59.0 13.1 434 434 A R H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.873 107.3 51.9 -53.8 -44.3 25.8 62.1 11.6 435 435 A M H X S+ 0 0 0 -4,-2.1 4,-3.1 -3,-0.3 5,-0.3 0.865 109.5 48.3 -64.0 -40.9 22.8 61.6 14.0 436 436 A V H X S+ 0 0 1 -4,-1.8 4,-3.3 -3,-0.2 5,-0.4 0.970 113.8 48.4 -59.5 -51.9 25.1 61.4 17.1 437 437 A A H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.890 114.5 46.6 -53.5 -44.4 26.8 64.6 15.8 438 438 A I H X S+ 0 0 1 -4,-3.1 4,-3.0 -5,-0.2 -2,-0.2 0.961 120.0 36.1 -64.6 -51.8 23.4 66.2 15.2 439 439 A V H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.950 112.7 55.9 -70.8 -50.2 21.8 65.3 18.6 440 440 A S H < S+ 0 0 34 -4,-3.3 -1,-0.2 91,-0.6 -3,-0.2 0.848 123.7 29.0 -47.5 -34.4 24.9 65.7 20.7 441 441 A R H < S+ 0 0 93 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.802 129.4 31.9-100.6 -37.2 25.2 69.2 19.4 442 442 A F H >< S+ 0 0 31 -4,-3.0 3,-1.6 -5,-0.2 -3,-0.2 0.201 74.6 148.0-116.8 15.0 21.6 70.5 18.5 443 443 A R T 3< S- 0 0 127 -4,-1.8 -4,-0.0 1,-0.3 6,-0.0 -0.236 80.5 -12.4 -46.7 128.7 19.4 68.7 21.1 444 444 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.706 78.0 151.2 46.6 29.9 16.4 70.7 22.1 445 445 A R S < S- 0 0 128 -3,-1.6 2,-0.2 1,-0.2 -1,-0.2 0.423 74.3 -62.5 -68.8 3.8 17.8 73.9 20.4 446 446 A D S > S- 0 0 58 1,-0.1 4,-1.7 -4,-0.1 -1,-0.2 -0.832 70.5 -48.4 144.4-171.2 14.0 74.5 20.1 447 447 A E H > S+ 0 0 178 -2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.908 125.3 37.3 -57.8 -55.0 10.6 73.4 18.6 448 448 A L H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 112.2 56.4 -73.6 -43.4 11.5 72.8 14.9 449 449 A T H >> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 3,-0.6 0.981 111.8 44.7 -46.5 -63.1 14.9 71.3 15.5 450 450 A N H 3X S+ 0 0 46 -4,-1.7 4,-2.2 1,-0.3 -2,-0.2 0.852 109.0 54.8 -52.2 -45.7 13.4 68.6 17.7 451 451 A R H 3X S+ 0 0 88 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.3 0.915 113.3 45.0 -53.6 -42.6 10.5 67.9 15.4 452 452 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 3,-1.2 0.987 100.7 56.9 -52.1 -57.6 15.4 61.8 11.4 457 457 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.790 103.8 52.3 -47.5 -39.1 15.4 59.1 14.0 458 458 A R H 3X S+ 0 0 2 -4,-1.3 4,-3.5 2,-0.2 5,-0.3 0.870 108.9 50.9 -68.1 -36.6 12.8 57.1 12.1 459 459 A E H < S+ 0 0 1 -4,-3.5 3,-0.6 1,-0.2 -2,-0.2 0.844 112.1 57.7 -58.9 -32.6 14.1 52.1 9.5 463 463 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.953 99.1 56.5 -58.4 -50.5 17.6 52.1 8.0 464 464 A E H 3< S+ 0 0 0 -4,-1.6 -317,-1.0 -5,-0.1 -1,-0.2 0.587 73.5 134.5 -67.9 -12.6 19.1 49.9 10.6 465 465 A A B X< -F 146 0C 3 -4,-0.7 3,-1.4 -3,-0.6 4,-0.5 -0.079 53.5-145.4 -36.1 118.1 16.6 47.1 10.1 466 466 A S T 3> S+ 0 0 0 -321,-1.0 4,-1.6 -322,-0.5 3,-0.2 0.783 90.4 81.0 -57.5 -30.1 18.5 43.7 9.9 467 467 A D H 3> S+ 0 0 13 -323,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.661 82.7 61.7 -51.5 -25.2 15.9 42.6 7.3 468 468 A W H <> S+ 0 0 1 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.989 106.2 41.8 -70.7 -58.9 17.7 44.5 4.6 469 469 A Q H > S+ 0 0 0 -4,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.816 116.9 54.3 -49.8 -33.7 20.9 42.5 4.9 470 470 A F H X S+ 0 0 28 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.927 107.2 44.5 -70.7 -48.0 18.7 39.4 5.2 471 471 A L H <>S+ 0 0 15 -4,-2.3 6,-1.1 2,-0.2 5,-0.7 0.728 112.0 54.4 -76.2 -23.8 16.5 39.8 2.1 472 472 A I H ><5S+ 0 0 3 -4,-1.7 3,-1.1 2,-0.2 -1,-0.2 0.945 110.2 46.1 -67.7 -54.4 19.6 40.6 -0.0 473 473 A T H 3<5S+ 0 0 53 -4,-1.7 -2,-0.2 -58,-0.3 -1,-0.1 0.857 117.6 44.5 -52.4 -38.9 21.3 37.4 1.1 474 474 A T T 3<5S- 0 0 46 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.391 93.4-138.7 -97.9 4.5 18.2 35.3 0.5 475 475 A G T < 5 + 0 0 56 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.737 65.5 128.6 41.5 26.3 17.1 36.7 -2.9 476 476 A Q S S+ 0 0 7 -6,-1.1 4,-1.8 -453,-0.0 3,-0.5 0.084 85.1 159.5-167.8 31.9 13.3 40.3 -2.7 478 478 A K H > S+ 0 0 33 -7,-0.5 4,-1.4 1,-0.2 -6,-0.1 0.693 75.8 48.0 -35.5 -42.2 17.0 41.3 -3.1 479 479 A E H >> S+ 0 0 141 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.976 109.2 51.1 -69.7 -54.9 16.2 44.3 -5.3 480 480 A Y H 3> S+ 0 0 25 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.857 109.1 54.0 -41.9 -46.2 13.4 45.7 -3.1 481 481 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.887 106.9 49.8 -61.0 -41.4 15.9 45.5 -0.2 482 482 A K H X S+ 0 0 18 -4,-1.6 4,-3.9 2,-0.2 3,-0.8 0.987 107.1 56.3 -73.5 -64.0 19.0 53.7 -0.3 487 487 A I H 3X S+ 0 0 12 -4,-2.8 4,-3.2 1,-0.3 -2,-0.2 0.777 114.7 41.2 -38.6 -42.9 15.7 55.6 0.1 488 488 A H H 3X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.833 114.4 50.1 -81.8 -30.8 16.3 55.9 3.8 489 489 A S H + 0 0 53 -2,-0.4 4,-0.6 1,-0.2 3,-0.5 -0.692 28.4 174.6 -79.6 93.9 12.0 73.8 3.8 510 510 A V H >> + 0 0 45 -2,-1.2 4,-2.1 1,-0.2 3,-0.6 0.821 65.0 77.5 -72.1 -35.0 9.2 72.2 5.9 511 511 A K H 3> S+ 0 0 116 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.846 95.1 50.3 -38.7 -46.3 7.4 70.7 2.9 512 512 A L H 3> S+ 0 0 13 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.851 107.0 52.2 -69.5 -40.9 10.0 67.9 2.8 513 513 A L H + 0 0 15 -2,-0.8 3,-1.0 1,-0.1 4,-0.2 0.327 47.2 100.3-108.4 -0.5 16.0 60.5 20.7 529 529 A G G > S+ 0 0 26 1,-0.2 3,-1.7 2,-0.2 -1,-0.1 0.882 73.0 51.7 -57.4 -52.9 17.7 60.8 24.1 530 530 A P G 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -371,-0.2 0.481 89.9 79.1 -76.0 0.0 20.5 58.1 23.9 531 531 A Y G < S+ 0 0 1 -3,-1.0 -91,-0.6 -373,-0.1 2,-0.5 0.553 72.3 100.2 -75.9 -10.2 21.8 59.6 20.6 532 532 A V < + 0 0 63 -3,-1.7 2,-0.4 -93,-0.2 3,-0.1 -0.685 53.0 173.6 -74.2 122.3 23.5 62.3 22.9 533 533 A S - 0 0 19 -2,-0.5 -2,-0.0 -97,-0.3 -93,-0.0 -0.994 38.0-137.2-136.6 132.3 27.2 61.4 23.3 534 534 A E S S+ 0 0 176 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.923 104.3 36.3 -46.8 -53.3 29.9 63.4 25.0 535 535 A N S S+ 0 0 137 -3,-0.1 -1,-0.3 3,-0.0 -98,-0.1 -0.710 78.2 171.0-107.1 82.7 32.3 62.5 22.2 536 536 A P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.515 43.2-104.0 -79.9 156.8 30.5 62.4 18.9 537 537 A P - 0 0 37 0, 0.0 -100,-0.0 0, 0.0 0, 0.0 -0.539 59.6 -82.5 -67.6 155.6 32.4 62.2 15.7 538 538 A E - 0 0 164 -2,-0.1 2,-0.2 1,-0.1 -101,-0.2 -0.122 51.1 -97.2 -65.2 157.4 32.4 65.6 14.1 539 539 A L - 0 0 43 -102,-0.2 2,-0.7 -3,-0.1 -1,-0.1 -0.517 19.6-150.0 -82.1 140.2 29.4 66.9 12.0 540 540 A E - 0 0 61 -2,-0.2 -40,-0.1 1,-0.2 3,-0.1 -0.884 6.9-167.6-106.6 98.9 29.2 66.8 8.2 541 541 A E S S+ 0 0 102 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.821 76.5 37.3 -54.5 -37.2 27.1 69.8 7.2 542 542 A Y + 0 0 148 -3,-0.1 2,-0.4 -42,-0.1 -1,-0.2 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