==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-01 1KFG . COMPND 2 MOLECULE: ENDOGLUCANASE G; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR D.MANDELMAN,A.BELAICH,J.-P.BELAICH,H.DRIGUEZ,R.HASER . 1225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 831 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 2 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 . 84 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 366 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 4 1 0 0 2 0 0 2 0 2 4 1 5 4 1 0 2 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 16 8 7 2 1 0 2 0 2 2 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 2 0 1 3 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 3 A T 0 0 129 0, 0.0 2,-0.3 0, 0.0 439,-0.0 0.000 360.0 360.0 360.0 -34.9 21.9 17.1 49.2 2 4 A Y - 0 0 62 437,-0.1 2,-1.4 361,-0.0 3,-0.1 -0.861 360.0-100.6-130.0 159.7 18.3 18.5 49.2 3 5 A N > + 0 0 48 -2,-0.3 4,-1.7 1,-0.2 437,-0.2 -0.713 40.3 176.6 -83.2 95.0 16.9 22.0 49.3 4 6 A Y H > S+ 0 0 0 435,-1.5 4,-2.6 -2,-1.4 431,-0.2 0.791 74.5 59.0 -70.3 -28.5 15.9 22.1 53.0 5 7 A G H > S+ 0 0 0 435,-0.4 4,-2.6 434,-0.4 -1,-0.2 0.926 107.5 44.6 -66.9 -44.3 14.7 25.7 52.8 6 8 A E H > S+ 0 0 38 2,-0.2 4,-2.6 435,-0.2 5,-0.2 0.900 113.5 51.6 -65.3 -41.0 12.1 25.0 50.2 7 9 A A H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.944 111.6 47.1 -60.7 -47.2 11.1 21.9 52.2 8 10 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.920 111.3 51.8 -59.5 -46.5 10.7 24.0 55.3 9 11 A Q H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 113.9 42.5 -56.8 -49.6 8.8 26.7 53.4 10 12 A K H X S+ 0 0 12 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.861 108.4 58.6 -69.4 -34.8 6.3 24.2 52.0 11 13 A S H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.891 109.6 45.2 -61.5 -39.1 5.9 22.2 55.3 12 14 A I H >X S+ 0 0 7 -4,-1.9 3,-1.0 1,-0.2 4,-0.7 0.927 109.8 55.0 -68.5 -44.6 4.7 25.4 57.0 13 15 A M H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-1.0 0.817 92.1 74.6 -58.7 -31.2 2.4 26.2 54.0 14 16 A F H >X S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.3 4,-0.6 0.892 92.2 53.8 -47.4 -46.9 0.8 22.8 54.5 15 17 A Y H XX S+ 0 0 5 -3,-1.0 3,-1.0 -4,-0.6 4,-0.6 0.823 98.1 63.0 -61.9 -32.1 -1.0 24.0 57.6 16 18 A E H X< S+ 0 0 19 -3,-1.0 3,-0.7 -4,-0.7 -1,-0.3 0.852 101.8 51.9 -61.4 -34.1 -2.5 27.0 55.7 17 19 A F H << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.644 105.9 56.3 -75.2 -15.8 -4.3 24.5 53.4 18 20 A Q H << S+ 0 0 1 -3,-1.0 34,-3.3 -4,-0.6 -1,-0.2 0.543 81.2 126.9 -90.6 -10.7 -5.7 22.8 56.6 19 21 A R B << -A 51 0A 16 -3,-0.7 2,-0.3 -4,-0.6 32,-0.2 -0.198 40.9-163.9 -57.2 133.5 -7.2 26.0 57.9 20 22 A S + 0 0 0 30,-2.8 2,-0.2 2,-0.1 16,-0.2 -0.751 49.1 27.0-109.9 158.7 -10.9 26.0 58.9 21 23 A G B S-B 35 0B 0 14,-2.0 2,-1.0 -2,-0.3 14,-0.9 -0.525 107.7 -4.5 97.4-160.8 -13.0 29.1 59.4 22 24 A D S S- 0 0 102 12,-0.2 -2,-0.1 -2,-0.2 12,-0.1 -0.670 74.4-143.7 -79.8 100.8 -12.9 32.7 58.0 23 25 A L - 0 0 14 -2,-1.0 11,-0.1 1,-0.1 4,-0.1 -0.397 18.0-103.9 -72.5 140.1 -9.7 32.8 55.9 24 26 A P > - 0 0 33 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.172 15.6-127.3 -63.0 151.3 -7.5 35.9 55.7 25 27 A A T 3 S+ 0 0 114 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.723 109.4 67.0 -68.3 -23.2 -7.5 38.3 52.8 26 28 A D T 3 S+ 0 0 108 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.286 75.1 143.4 -81.8 12.9 -3.7 37.9 52.7 27 29 A K < - 0 0 50 -3,-1.3 420,-0.0 1,-0.1 -4,-0.0 -0.253 43.8-152.9 -55.3 131.3 -4.3 34.2 51.7 28 30 A R + 0 0 25 419,-0.0 420,-3.7 418,-0.0 2,-0.3 -0.091 69.0 65.5-102.7 37.4 -1.7 32.9 49.2 29 31 A D B -c 448 0C 6 418,-0.2 420,-0.2 3,-0.1 -2,-0.0 -0.955 61.5-150.3-146.9 161.7 -3.9 30.3 47.5 30 32 A N S S+ 0 0 38 418,-1.2 419,-0.1 -2,-0.3 3,-0.0 0.125 86.8 63.6-122.8 21.0 -7.0 30.4 45.3 31 33 A W S S+ 0 0 1 417,-0.2 454,-0.6 452,-0.2 2,-0.4 0.458 86.4 68.4-124.1 -2.2 -8.5 27.0 46.2 32 34 A R + 0 0 2 452,-0.1 2,-0.2 451,-0.1 -3,-0.1 -0.926 58.4 160.1-114.9 143.3 -9.3 27.2 49.9 33 35 A D - 0 0 65 -2,-0.4 -12,-0.1 -14,-0.1 452,-0.0 -0.808 47.2 -36.9-145.8-171.9 -12.1 29.5 51.2 34 36 A D + 0 0 58 -2,-0.2 2,-0.3 -11,-0.1 -12,-0.2 -0.229 66.4 155.1 -54.8 138.8 -14.4 30.0 54.2 35 37 A S B +B 21 0B 4 -14,-0.9 -14,-2.0 1,-0.1 14,-0.3 -0.975 50.2 34.0-161.4 159.2 -15.6 26.8 55.8 36 38 A G S > S+ 0 0 9 93,-0.5 3,-1.7 -2,-0.3 13,-0.2 0.820 70.3 155.1 59.0 30.2 -16.9 25.5 59.1 37 39 A M T 3 + 0 0 86 1,-0.3 11,-0.1 -16,-0.2 -1,-0.1 0.597 66.3 48.0 -67.3 -12.8 -18.4 28.9 59.4 38 40 A K T > S+ 0 0 167 9,-0.1 3,-2.7 8,-0.1 4,-0.3 0.273 77.4 143.4-108.9 9.5 -21.1 27.8 61.8 39 41 A D T < S+ 0 0 5 -3,-1.7 8,-2.1 1,-0.3 9,-0.3 -0.289 74.1 15.3 -54.3 122.2 -18.7 25.8 64.1 40 42 A G T >>>S+ 0 0 0 96,-0.5 5,-2.0 6,-0.2 3,-1.9 0.209 87.6 118.4 97.1 -12.5 -20.0 26.2 67.7 41 43 A S T <45 + 0 0 85 -3,-2.7 3,-0.4 1,-0.3 -2,-0.1 0.761 68.7 64.4 -58.2 -25.3 -23.4 27.5 66.7 42 44 A D T 345S+ 0 0 85 -4,-0.3 -1,-0.3 94,-0.2 -3,-0.1 0.762 113.4 31.9 -71.1 -23.9 -24.9 24.5 68.4 43 45 A V T <45S- 0 0 53 -3,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.276 114.5-110.5-113.8 8.1 -23.6 25.7 71.8 44 46 A G T <5S+ 0 0 72 -4,-0.6 2,-0.4 -3,-0.4 -3,-0.2 0.781 79.7 118.0 69.4 28.8 -23.8 29.5 71.1 45 47 A V S -D 115 0D 2 -2,-0.7 4,-2.0 -9,-0.3 55,-0.2 -0.878 9.8-160.9-101.9 101.9 -9.5 17.2 66.9 61 63 A N H > S+ 0 0 1 53,-1.7 4,-2.6 -2,-0.8 5,-0.3 0.725 79.8 63.8 -60.8 -25.0 -7.9 19.4 69.5 62 64 A L H > S+ 0 0 1 52,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.988 113.6 30.6 -66.4 -55.9 -5.5 16.9 71.0 63 65 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.848 119.1 58.6 -70.4 -27.0 -3.4 16.4 67.8 64 66 A M H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.938 110.6 40.0 -64.5 -46.1 -4.1 19.9 66.8 65 67 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.801 111.7 57.2 -73.3 -30.9 -2.6 21.4 70.0 66 68 A Y H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.939 108.4 49.9 -61.3 -44.7 0.3 18.8 69.9 67 69 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.956 112.1 43.1 -59.4 -55.6 1.0 20.2 66.4 68 70 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.853 112.4 54.7 -63.0 -33.7 1.1 23.9 67.3 69 71 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.920 110.6 46.4 -63.9 -43.2 3.1 23.2 70.5 70 72 A M H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.868 111.4 50.9 -66.8 -37.8 5.7 21.4 68.4 71 73 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 111.6 47.9 -66.1 -43.2 5.8 24.2 65.8 72 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.886 107.5 56.4 -63.9 -37.9 6.3 26.7 68.6 73 75 A W H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 107.5 49.3 -60.1 -39.9 9.0 24.5 70.1 74 76 A S H X S+ 0 0 0 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.938 110.6 48.5 -64.3 -46.4 10.9 24.7 66.8 75 77 A L H X S+ 0 0 7 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.856 112.1 51.0 -62.6 -34.0 10.6 28.5 66.6 76 78 A Y H < S+ 0 0 96 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.910 116.8 39.5 -67.7 -43.1 11.8 28.6 70.2 77 79 A E H < S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.873 131.4 21.8 -76.3 -37.3 14.8 26.4 69.4 78 80 A D H >X + 0 0 2 -4,-3.4 4,-1.4 -5,-0.2 3,-1.4 -0.218 62.8 143.1-131.2 47.7 15.7 27.8 65.9 79 81 A K H 3X S+ 0 0 113 -4,-0.5 4,-2.8 -3,-0.3 5,-0.2 0.876 76.7 62.6 -52.9 -37.5 14.4 31.3 65.4 80 82 A D H 3> S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.831 100.8 51.5 -59.2 -31.9 17.6 32.1 63.5 81 83 A A H <> S+ 0 0 1 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.901 111.7 46.6 -70.8 -41.7 16.7 29.4 60.9 82 84 A Y H X>S+ 0 0 0 -4,-1.4 5,-2.0 2,-0.2 6,-1.0 0.932 112.9 48.9 -66.4 -45.6 13.2 30.9 60.4 83 85 A D H ><5S+ 0 0 73 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.955 113.3 46.3 -58.7 -51.7 14.5 34.5 60.1 84 86 A K H 3<5S+ 0 0 158 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 114.4 46.8 -61.6 -35.5 17.2 33.7 57.6 85 87 A S H 3<5S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.567 109.5-127.0 -82.6 -8.8 14.9 31.6 55.4 86 88 A G T <<5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.8 4,-0.2 0.756 79.3 115.0 69.5 25.6 12.3 34.4 55.7 87 89 A Q >< + 0 0 10 -5,-2.0 4,-2.0 -6,-0.2 3,-0.4 0.450 36.8 101.4-103.8 -3.4 9.6 32.0 56.9 88 90 A T H > S+ 0 0 20 -6,-1.0 4,-2.2 1,-0.2 5,-0.2 0.869 80.2 53.0 -48.3 -47.7 9.2 33.5 60.4 89 91 A K H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 110.1 49.1 -55.6 -47.2 6.0 35.3 59.5 90 92 A Y H > S+ 0 0 64 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.884 111.7 44.6 -64.6 -44.1 4.4 32.2 58.1 91 93 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.883 114.0 51.7 -71.0 -33.3 5.1 29.8 61.0 92 94 A M H X S+ 0 0 26 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.917 108.0 51.2 -67.6 -39.1 4.0 32.5 63.5 93 95 A D H X S+ 0 0 62 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.903 111.7 48.9 -62.8 -39.3 0.8 33.0 61.6 94 96 A G H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.946 110.5 48.6 -64.0 -49.8 0.2 29.2 61.8 95 97 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 114.2 47.3 -57.0 -42.7 0.9 29.0 65.5 96 98 A K H X S+ 0 0 62 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.857 105.3 59.8 -69.5 -33.5 -1.4 31.9 66.1 97 99 A W H X S+ 0 0 49 -4,-2.1 4,-1.1 -5,-0.2 -47,-0.7 0.935 111.8 39.4 -59.4 -45.4 -4.1 30.4 63.9 98 100 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.947 118.1 47.5 -70.3 -47.9 -4.3 27.3 66.1 99 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.816 104.8 57.6 -67.7 -29.5 -4.0 29.1 69.4 100 102 A D H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.892 109.8 49.1 -64.7 -34.8 -6.6 31.8 68.6 101 103 A Y H X S+ 0 0 2 -4,-1.1 4,-2.0 -5,-0.3 -2,-0.2 0.928 107.8 51.1 -69.5 -44.9 -8.9 28.9 68.1 102 104 A F H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.892 108.2 54.3 -60.9 -36.2 -7.9 27.2 71.4 103 105 A I H >< S+ 0 0 21 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.958 107.2 49.6 -61.2 -47.5 -8.6 30.5 73.1 104 106 A K H 3< S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 104.3 60.8 -58.4 -33.9 -12.1 30.6 71.6 105 107 A C T 3< S+ 0 0 0 -4,-2.0 8,-2.6 1,-0.3 -1,-0.3 0.551 97.9 59.3 -71.5 -7.1 -12.6 27.0 72.9 106 108 A N < + 0 0 8 -3,-2.0 -1,-0.3 -4,-0.4 6,-0.1 -0.556 65.7 158.2-118.8 62.3 -12.1 28.2 76.5 107 109 A P + 0 0 63 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.737 68.1 11.6 -59.4 -28.8 -15.0 30.8 76.5 108 110 A T S > S- 0 0 75 3,-0.5 3,-1.9 -3,-0.1 0, 0.0 -0.983 100.6 -76.3-149.3 151.4 -15.3 30.8 80.3 109 111 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 70,-0.0 -0.241 116.2 15.9 -53.0 130.3 -13.1 29.5 83.2 110 112 A G T 3 S+ 0 0 26 1,-0.2 2,-0.4 32,-0.1 33,-0.4 0.487 103.8 102.2 86.7 2.2 -13.4 25.8 83.6 111 113 A V < + 0 0 26 -3,-1.9 -3,-0.5 31,-0.1 2,-0.4 -0.981 42.2 174.3-123.8 129.0 -15.0 25.1 80.2 112 114 A Y E - E 0 141D 0 29,-2.1 29,-2.8 -2,-0.4 2,-0.6 -0.960 22.1-151.2-139.4 119.8 -13.1 23.7 77.2 113 115 A Y E + E 0 140D 19 -8,-2.6 27,-0.3 -2,-0.4 3,-0.1 -0.794 17.7 179.2 -86.6 120.7 -14.5 22.6 73.9 114 116 A Y E + 0 0 5 25,-1.7 -53,-1.7 -2,-0.6 -52,-0.3 0.346 57.7 26.2-106.8 4.0 -12.1 20.0 72.6 115 117 A Q E -DE 60 139D 0 24,-1.0 24,-2.1 -55,-0.2 2,-0.4 -0.958 47.9-164.6-166.2 144.0 -13.7 19.0 69.3 116 118 A V E +DE 59 138D 0 -57,-1.6 -57,-2.3 -2,-0.3 22,-0.2 -0.973 66.8 28.8-131.9 117.5 -15.9 20.3 66.5 117 119 A G S S- 0 0 0 20,-3.2 2,-0.5 -2,-0.4 19,-0.2 -0.189 77.9 -99.9 114.8 151.3 -17.3 17.7 64.2 118 120 A D > - 0 0 53 17,-0.4 4,-3.5 1,-0.2 5,-0.3 -0.948 19.3-146.0-111.0 121.2 -18.3 14.1 64.4 119 121 A G H > S+ 0 0 0 -2,-0.5 4,-2.6 79,-0.4 5,-0.2 0.900 98.4 49.8 -48.3 -50.9 -15.9 11.5 63.0 120 122 A G H > S+ 0 0 42 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.942 118.4 35.7 -55.2 -56.5 -18.7 9.2 61.8 121 123 A K H 4 S+ 0 0 106 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.897 117.7 52.9 -67.3 -41.6 -20.7 11.9 59.9 122 124 A D H >< S+ 0 0 2 -4,-3.5 3,-0.9 1,-0.2 -2,-0.2 0.912 111.6 44.9 -61.9 -43.5 -17.6 13.8 58.7 123 125 A H H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.650 97.2 73.7 -76.7 -14.8 -15.9 10.8 57.2 124 126 A S T 3< S+ 0 0 94 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.2 0.539 93.5 61.5 -76.6 -5.9 -19.1 9.5 55.5 125 127 A W < - 0 0 24 -3,-0.9 2,-0.7 -4,-0.3 257,-0.1 -0.968 67.6-154.8-125.2 137.1 -18.9 12.2 52.9 126 128 A W + 0 0 12 -2,-0.4 255,-0.4 427,-0.1 256,-0.4 -0.833 50.3 91.2-116.6 96.2 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4,-2.5 2,-0.2 5,-0.3 0.898 110.0 49.7 -63.6 -41.8 1.2 23.5 76.3 157 159 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.956 114.4 44.3 -61.7 -48.4 0.3 24.9 72.9 158 160 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.900 115.6 46.8 -63.8 -42.6 -0.8 28.2 74.4 159 161 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.891 112.9 48.5 -67.8 -41.2 2.2 28.5 76.8 160 162 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.861 110.2 53.0 -67.4 -35.1 4.7 27.6 74.1 161 163 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.929 106.5 53.1 -64.1 -42.2 3.0 30.1 71.8 162 164 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.897 105.5 54.8 -59.2 -42.1 3.4 32.7 74.6 163 165 A V H < S+ 0 0 29 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.937 114.7 38.1 -57.4 -48.0 7.2 32.0 74.8 164 166 A V H < S+ 0 0 22 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.670 119.9 45.6 -82.8 -13.3 7.7 32.7 71.1 165 167 A F H X S+ 0 0 14 -4,-1.8 4,-3.6 -5,-0.1 3,-0.4 0.590 87.4 90.8 -99.9 -14.1 5.3 35.6 70.8 166 168 A K T < S+ 0 0 76 -4,-1.8 -2,-0.1 -5,-0.2 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0.908 111.6 50.8 -57.8 -43.4 -2.2 32.8 75.8 177 179 A I H X S+ 0 0 7 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.919 105.8 54.9 -62.4 -44.4 -0.8 32.4 79.3 178 180 A S H X S+ 0 0 71 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.935 115.5 38.6 -54.8 -48.3 -4.1 33.3 80.9 179 181 A H H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.876 112.6 56.7 -72.0 -36.3 -5.9 30.6 79.0 180 182 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.926 106.4 51.5 -59.2 -44.9 -3.0 28.1 79.3 181 183 A K H X S+ 0 0 91 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.870 109.6 48.7 -60.5 -39.8 -3.2 28.5 83.1 182 184 A N H X S+ 0 0 35 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.929 113.1 45.9 -68.6 -43.8 -7.0 27.8 83.2 183 185 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.894 112.8 50.3 -67.5 -39.1 -6.8 24.7 81.0 184 186 A F H X S+ 0 0 5 -4,-2.5 4,-3.4 -5,-0.2 5,-0.3 0.923 109.0 52.3 -64.6 -42.5 -3.8 23.3 83.0 185 187 A D H X S+ 0 0 60 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.937 109.2 50.2 -57.6 -46.1 -5.6 23.9 86.2 186 188 A M H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 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48.2 125.3 -90.6 88.4 -12.8 13.0 76.6 197 199 A T > + 0 0 88 -2,-1.4 3,-1.7 7,-0.1 -1,-0.2 0.624 38.9 81.7-123.0 -19.7 -14.9 10.7 74.5 198 200 A A T 3 S+ 0 0 16 -3,-0.3 -79,-0.4 1,-0.3 6,-0.1 0.680 91.9 57.0 -66.9 -17.4 -15.9 12.3 71.2 199 201 A A T >> S+ 0 0 1 4,-0.1 3,-2.7 -81,-0.1 4,-2.5 0.307 76.0 142.3 -93.8 9.1 -12.6 11.4 69.6 200 202 A S T <4 S+ 0 0 75 -3,-1.7 -81,-0.1 1,-0.3 -3,-0.1 -0.263 70.8 19.8 -55.8 127.9 -13.1 7.7 70.3 201 203 A G T 34 S+ 0 0 74 1,-0.1 -1,-0.3 -82,-0.0 -2,-0.1 0.218 130.9 48.4 96.4 -13.6 -11.8 5.6 67.5 202 204 A Y T <4 S- 0 0 91 -3,-2.7 -2,-0.2 0, 0.0 -3,-0.1 0.713 129.8 -2.1-119.9 -57.4 -9.7 8.4 66.2 203 205 A Y S < S+ 0 0 27 -4,-2.5 -3,-0.2 2,-0.0 -4,-0.1 -0.234 72.5 166.0-136.4 45.6 -7.6 10.0 69.0 204 206 A S - 0 0 65 -5,-0.4 2,-0.4 1,-0.1 -7,-0.1 -0.412 39.5-118.9 -61.5 138.4 -8.6 8.3 72.2 205 207 A S - 0 0 26 -9,-0.3 3,-0.1 -12,-0.1 -1,-0.1 -0.676 29.7-178.2 -86.4 133.7 -6.0 9.2 74.8 206 208 A S S S+ 0 0 94 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.344 72.3 19.3-108.9 5.7 -3.9 6.5 76.5 207 209 A S + 0 0 34 50,-0.1 -1,-0.2 1,-0.1 32,-0.1 -0.945 42.8 173.5-169.6 146.9 -2.0 8.8 78.9 208 210 A F S > S+ 0 0 33 -2,-0.3 4,-2.2 -3,-0.1 5,-0.1 0.494 72.7 76.0-134.2 -15.6 -2.3 12.2 80.5 209 211 A Y H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.823 96.8 54.7 -69.2 -27.0 0.6 12.5 83.0 210 212 A D H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 108.6 47.5 -68.7 -43.5 2.9 13.0 80.1 211 213 A D H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.874 108.5 55.6 -64.8 -36.8 0.7 15.9 78.9 212 214 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.945 111.9 41.9 -61.2 -47.8 0.7 17.3 82.4 213 215 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.926 114.8 51.1 -63.3 -46.3 4.5 17.4 82.6 214 216 A W H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.954 114.9 43.3 -58.4 -46.1 4.8 18.7 79.0 215 217 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.931 113.0 51.6 -66.5 -46.7 2.2 21.5 79.8 216 218 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.887 108.1 52.7 -58.3 -41.1 3.9 22.3 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