==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELLULOSE DEGRADATION 04-DEC-95 1CEO . COMPND 2 MOLECULE: CELLULASE CELC; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR R.DOMINGUEZ,P.M.ALZARI . 332 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 1 2 1 0 1 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 1 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 0 122 0, 0.0 2,-0.3 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 138.5 47.5 50.6 73.9 2 2 A V - 0 0 26 122,-0.1 2,-0.3 81,-0.1 81,-0.1 -0.827 360.0-162.7-106.6 142.9 47.7 47.0 72.5 3 3 A S - 0 0 58 40,-0.5 81,-0.5 -2,-0.3 3,-0.1 -0.945 19.6-155.2-128.6 154.7 46.5 46.3 68.9 4 4 A F + 0 0 41 -2,-0.3 3,-0.2 1,-0.1 298,-0.1 -0.300 64.7 98.1-124.2 53.8 45.5 43.1 67.0 5 5 A K S S+ 0 0 66 297,-0.2 298,-1.8 1,-0.2 2,-0.4 0.775 81.1 33.0-106.8 -41.1 46.1 44.1 63.4 6 6 A A E S+a 303 0A 6 296,-0.2 37,-2.3 -3,-0.1 38,-0.7 -0.801 80.9 145.7-126.2 87.1 49.6 42.8 62.2 7 7 A G E -ab 304 44A 3 296,-2.9 298,-1.9 -2,-0.4 2,-0.3 -0.517 35.6-140.6-115.2-173.5 50.5 39.5 63.9 8 8 A I E -ab 305 45A 0 36,-1.0 38,-1.9 296,-0.3 2,-0.2 -0.984 24.0-114.3-148.7 145.9 52.2 36.2 63.3 9 9 A N E - b 0 46A 0 296,-2.6 299,-2.2 -2,-0.3 298,-0.2 -0.590 6.3-153.9 -84.3 150.2 51.4 32.7 64.4 10 10 A L > + 0 0 1 36,-2.3 3,-0.9 -2,-0.2 4,-0.4 -0.464 37.9 160.7-115.9 51.4 53.5 30.6 66.9 11 11 A G T 3 + 0 0 1 1,-0.2 298,-0.3 2,-0.1 5,-0.1 -0.366 53.4 38.8 -72.8 155.0 52.4 27.3 65.5 12 12 A G T 3 S+ 0 0 1 3,-1.2 6,-0.2 -2,-0.1 -1,-0.2 0.317 95.7 88.6 88.8 -9.1 54.4 24.1 66.2 13 13 A W S < S- 0 0 0 -3,-0.9 -2,-0.1 35,-0.1 15,-0.1 0.952 113.6 -9.8 -83.7 -77.8 55.2 25.2 69.8 14 14 A I B S+c 49 0A 0 34,-0.5 36,-2.1 -4,-0.4 2,-0.3 0.128 135.6 57.6-110.3 19.5 52.3 23.8 72.0 15 15 A S S S+ 0 0 0 34,-0.3 -3,-1.2 -5,-0.2 -1,-0.0 -0.981 113.1 9.3-145.9 137.8 50.2 22.9 69.0 16 16 A Q S S+ 0 0 86 -2,-0.3 2,-0.2 1,-0.2 295,-0.1 0.815 84.5 164.4 59.3 32.8 51.1 20.4 66.2 17 17 A Y - 0 0 41 1,-0.1 -1,-0.2 -4,-0.0 3,-0.1 -0.497 41.3-132.1 -78.6 150.0 54.3 19.4 68.1 18 18 A Q S S+ 0 0 139 1,-0.2 2,-0.3 -6,-0.2 -1,-0.1 0.999 86.0 4.2 -63.5 -69.7 56.0 16.2 66.9 19 19 A V S S- 0 0 87 2,-0.1 2,-1.5 -3,-0.1 -1,-0.2 -0.845 82.7-105.6-118.0 152.2 56.5 14.6 70.3 20 20 A F + 0 0 116 -2,-0.3 2,-0.4 -3,-0.1 3,-0.1 -0.662 62.3 155.9 -76.8 93.3 55.3 15.7 73.7 21 21 A S > - 0 0 34 -2,-1.5 4,-2.5 1,-0.1 3,-0.2 -0.984 48.3-150.7-132.7 130.8 58.6 16.9 75.0 22 22 A K H > S+ 0 0 139 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.787 103.0 59.2 -60.7 -29.7 59.5 19.4 77.7 23 23 A E H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.925 107.8 44.5 -66.0 -44.8 62.7 20.1 75.8 24 24 A H H >> S+ 0 0 17 -3,-0.2 4,-3.4 2,-0.2 3,-0.6 0.977 115.4 48.3 -61.9 -54.4 60.7 21.1 72.7 25 25 A F H 3X S+ 0 0 5 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.862 113.3 46.4 -55.5 -43.4 58.3 23.2 74.8 26 26 A D H 3< S+ 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.760 125.6 28.8 -73.8 -25.0 61.1 25.0 76.7 27 27 A T H << S+ 0 0 81 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.2 0.748 98.3 74.3-110.0 -27.8 63.2 25.8 73.6 28 28 A F H < S+ 0 0 25 -4,-3.4 2,-0.5 1,-0.2 -3,-0.1 0.943 113.7 21.4 -54.0 -49.9 61.0 26.1 70.5 29 29 A I S < S+ 0 0 1 -4,-0.5 2,-0.3 -5,-0.3 -1,-0.2 -0.980 76.9 160.0-125.2 126.1 59.8 29.5 71.7 30 30 A T >> - 0 0 37 -2,-0.5 3,-1.5 -3,-0.2 4,-1.2 -0.812 57.2 -86.7-130.8 175.5 61.7 31.7 74.2 31 31 A E H 3> S+ 0 0 65 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.811 122.3 64.7 -55.3 -33.6 61.7 35.4 75.1 32 32 A K H 3> S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.851 100.3 52.7 -59.8 -34.2 64.2 36.1 72.4 33 33 A D H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.939 109.2 47.0 -66.8 -48.1 61.6 35.1 69.8 34 34 A I H X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.887 111.6 53.0 -61.3 -38.4 59.0 37.5 71.2 35 35 A E H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.936 109.1 48.3 -61.8 -47.0 61.6 40.2 71.3 36 36 A T H X S+ 0 0 21 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.900 111.8 49.3 -58.3 -46.9 62.5 39.6 67.6 37 37 A I H X>S+ 0 0 0 -4,-2.5 5,-1.4 2,-0.2 4,-0.8 0.939 112.6 48.1 -59.2 -46.1 58.8 39.7 66.7 38 38 A A H ><5S+ 0 0 25 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.896 110.8 49.8 -63.7 -43.3 58.3 42.9 68.6 39 39 A E H 3<5S+ 0 0 141 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.809 103.5 61.7 -67.2 -27.4 61.3 44.6 67.1 40 40 A A H 3<5S- 0 0 29 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.736 120.4-106.9 -69.9 -23.7 60.1 43.6 63.6 41 41 A G T <<5 + 0 0 44 -4,-0.8 -3,-0.2 -3,-0.8 -2,-0.1 0.372 69.2 142.7 114.5 -6.4 57.0 45.7 64.1 42 42 A F < - 0 0 6 -5,-1.4 -1,-0.3 1,-0.1 -35,-0.2 -0.355 39.3-152.8 -64.1 150.0 54.3 43.1 64.6 43 43 A D + 0 0 25 -37,-2.3 41,-2.1 1,-0.2 -40,-0.5 0.533 67.4 4.9-103.1 -6.7 51.7 44.1 67.2 44 44 A H E -bd 7 84A 0 -38,-0.7 -36,-1.0 39,-0.3 2,-0.3 -0.986 58.3-132.6-165.9 166.7 50.6 40.7 68.4 45 45 A V E -bd 8 85A 0 39,-1.9 41,-2.4 -2,-0.3 2,-0.5 -0.929 15.5-138.3-127.6 151.3 51.1 36.9 68.2 46 46 A R E -bd 9 86A 0 -38,-1.9 -36,-2.3 -2,-0.3 41,-0.2 -0.969 18.1-158.6-110.8 127.2 48.5 34.1 67.8 47 47 A L E - d 0 87A 0 39,-3.1 41,-2.7 -2,-0.5 2,-0.2 -0.853 3.2-164.0-115.2 97.4 49.1 31.1 70.0 48 48 A P E + d 0 88A 0 0, 0.0 -34,-0.5 0, 0.0 2,-0.3 -0.538 13.5 180.0 -70.6 140.9 47.6 27.8 68.9 49 49 A F E -cd 14 89A 0 39,-2.2 41,-3.0 -2,-0.2 42,-0.6 -0.991 22.8-137.2-144.1 144.3 47.5 25.2 71.6 50 50 A D E > - d 0 91A 9 -36,-2.1 3,-1.8 -2,-0.3 4,-0.3 -0.893 29.8-116.1 -99.1 140.6 46.2 21.6 71.6 51 51 A Y G >> S+ 0 0 32 40,-2.5 4,-2.8 -2,-0.4 3,-2.2 0.721 102.7 72.7 -46.4 -36.8 44.2 20.5 74.7 52 52 A P G 34 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 15,-0.1 0.699 86.1 64.4 -58.8 -21.8 46.6 17.8 76.0 53 53 A I G <4 S+ 0 0 2 -3,-1.8 14,-0.3 -39,-0.2 15,-0.2 0.765 119.9 26.3 -69.7 -20.4 49.2 20.3 77.2 54 54 A I T <4 S+ 0 0 0 -3,-2.2 10,-2.7 -4,-0.3 2,-0.4 0.765 129.6 26.1-109.1 -40.3 46.5 21.4 79.6 55 55 A E B < -J 63 0B 1 -4,-2.8 2,-0.3 8,-0.2 -1,-0.3 -0.982 60.7-148.9-136.9 130.7 44.2 18.3 80.2 56 56 A S - 0 0 29 6,-0.5 6,-0.2 3,-0.4 5,-0.1 -0.707 24.2-127.6 -92.4 146.0 44.8 14.6 80.0 57 57 A D S S+ 0 0 86 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 0.659 106.7 56.0 -64.0 -17.5 41.9 12.3 79.0 58 58 A D S S+ 0 0 145 1,-0.2 2,-1.8 0, 0.0 -1,-0.1 0.968 114.1 31.1 -77.4 -73.6 42.6 10.3 82.1 59 59 A N S > S- 0 0 71 3,-0.1 3,-1.7 2,-0.0 -3,-0.4 -0.538 87.7-172.5 -88.0 70.5 42.4 12.8 84.9 60 60 A V T 3 + 0 0 69 -2,-1.8 -3,-0.1 -3,-0.4 3,-0.1 -0.364 68.2 28.0 -60.9 142.2 39.8 15.0 83.1 61 61 A G T 3 S+ 0 0 44 1,-0.2 2,-0.8 -5,-0.1 -1,-0.3 0.321 93.1 107.4 87.2 -9.9 39.2 18.2 85.0 62 62 A E < - 0 0 115 -3,-1.7 -6,-0.5 -6,-0.2 2,-0.3 -0.886 62.7-149.6-105.2 103.3 42.6 18.3 86.5 63 63 A Y B -J 55 0B 24 -2,-0.8 2,-0.7 -8,-0.1 -8,-0.2 -0.591 12.0-123.8 -81.9 130.7 44.5 21.0 84.7 64 64 A K > - 0 0 43 -10,-2.7 4,-2.1 -2,-0.3 3,-0.4 -0.614 15.1-165.2 -75.6 112.3 48.3 20.7 84.3 65 65 A E H > S+ 0 0 105 -2,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.763 89.6 62.4 -67.1 -25.9 50.1 23.7 85.7 66 66 A D H 4 S+ 0 0 105 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.882 107.5 41.5 -69.1 -35.6 53.2 22.7 83.8 67 67 A G H >> S+ 0 0 4 -3,-0.4 3,-1.2 -14,-0.3 4,-0.8 0.899 111.6 55.9 -76.6 -39.6 51.4 23.1 80.5 68 68 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.3 3,-0.4 0.810 94.2 70.3 -61.7 -28.8 49.8 26.3 81.6 69 69 A S H 3X S+ 0 0 29 -4,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.808 91.8 57.8 -61.0 -30.8 53.2 27.7 82.4 70 70 A Y H <> S+ 0 0 16 -3,-1.2 4,-1.6 -4,-0.4 -1,-0.2 0.915 111.3 41.9 -67.3 -37.4 54.0 27.9 78.7 71 71 A I H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.4 -2,-0.2 0.930 113.9 51.9 -73.9 -45.7 51.0 30.2 78.2 72 72 A D H X S+ 0 0 44 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.940 111.5 46.7 -56.4 -49.7 51.6 32.2 81.3 73 73 A R H X S+ 0 0 81 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.897 109.1 53.7 -63.7 -36.5 55.2 32.9 80.3 74 74 A C H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.909 107.4 52.5 -64.2 -36.7 54.2 33.9 76.8 75 75 A L H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.915 108.7 51.3 -63.4 -40.3 51.7 36.4 78.2 76 76 A E H X S+ 0 0 111 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.954 109.8 47.1 -60.1 -53.9 54.6 37.8 80.3 77 77 A W H X S+ 0 0 35 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.889 113.5 50.1 -56.7 -41.0 56.9 38.2 77.3 78 78 A C H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.5 0.911 109.8 48.9 -65.7 -42.8 54.0 39.8 75.4 79 79 A K H ><5S+ 0 0 87 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.904 110.5 54.3 -62.8 -36.5 53.2 42.2 78.2 80 80 A K H 3<5S+ 0 0 131 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 116.2 35.0 -64.9 -38.9 56.9 43.0 78.3 81 81 A Y T 3<5S- 0 0 54 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.238 113.5-111.3-102.9 17.1 57.1 43.9 74.6 82 82 A N T < 5 + 0 0 86 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.837 68.2 144.6 56.0 41.9 53.7 45.5 74.4 83 83 A L < - 0 0 3 -5,-2.8 -39,-0.3 -6,-0.1 -1,-0.2 -0.758 46.8-126.8-107.5 151.4 52.2 42.8 72.2 84 84 A G E -d 44 0A 0 -41,-2.1 -39,-1.9 -81,-0.5 2,-0.4 -0.537 19.2-147.1 -88.7 163.2 48.7 41.3 72.2 85 85 A L E -de 45 126A 0 40,-1.9 42,-2.0 -41,-0.2 2,-0.8 -0.984 6.9-161.4-137.0 120.0 48.2 37.6 72.5 86 86 A V E -de 46 127A 0 -41,-2.4 -39,-3.1 -2,-0.4 2,-0.7 -0.914 16.2-151.1-101.9 107.6 45.3 35.7 70.8 87 87 A L E -de 47 128A 0 40,-3.0 42,-3.3 -2,-0.8 2,-0.5 -0.729 19.2-169.6 -80.9 117.3 45.0 32.4 72.7 88 88 A D E -de 48 129A 0 -41,-2.7 -39,-2.2 -2,-0.7 2,-0.8 -0.908 21.4-142.6-120.5 121.9 43.7 29.8 70.2 89 89 A M E +d 49 0A 0 40,-2.2 43,-1.4 -2,-0.5 44,-0.3 -0.684 24.6 172.6 -81.7 112.3 42.4 26.3 70.9 90 90 A H E + 0 0 24 -41,-3.0 43,-1.1 -2,-0.8 2,-0.6 0.956 68.9 28.4 -82.1 -64.6 43.5 24.2 67.9 91 91 A H E S-d 50 0A 70 -42,-0.6 -40,-2.5 41,-0.1 -1,-0.3 -0.919 76.4-166.0-105.2 117.4 42.6 20.7 68.9 92 92 A A - 0 0 14 -2,-0.6 2,-0.2 -3,-0.2 6,-0.1 -0.425 42.3 -70.9 -87.7 168.4 39.6 20.4 71.3 93 93 A P 0 0 0 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 -0.480 360.0 360.0 -57.3 127.9 38.6 17.4 73.3 94 94 A G 0 0 36 -2,-0.2 4,-1.8 3,-0.1 3,-0.6 0.876 360.0 360.0 97.8 360.0 37.2 14.8 70.8 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 103 A S 0 0 138 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 130.4 36.2 13.4 65.8 97 104 A T >> + 0 0 65 -3,-0.6 4,-3.2 1,-0.1 3,-2.1 0.367 360.0 109.7-114.4 2.2 33.5 13.0 68.4 98 105 A L T 34 S+ 0 0 11 -4,-1.8 7,-0.3 1,-0.3 6,-0.1 0.869 87.3 41.1 -46.3 -47.3 33.2 16.5 70.0 99 106 A F T 34 S+ 0 0 27 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.470 119.6 47.4 -83.9 0.3 29.8 17.2 68.4 100 107 A E T <4 S+ 0 0 136 -3,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.776 106.0 57.6-104.4 -41.2 28.7 13.6 69.2 101 108 A D >X - 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0 0 0 -3,-2.4 3,-2.1 1,-0.2 -1,-0.2 -0.526 30.2-146.7 -66.7 117.0 52.5 20.1 50.5 204 211 A H T 3 S+ 0 0 129 -2,-0.5 -1,-0.2 1,-0.3 6,-0.1 0.722 94.9 56.3 -60.7 -21.5 53.4 16.6 51.7 205 212 A W T 3 S+ 0 0 123 1,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.373 92.2 81.0 -90.6 0.0 50.3 16.4 53.9 206 213 A S <> - 0 0 14 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.937 62.7-161.7-111.6 113.4 47.9 17.1 51.1 207 214 A E H > S+ 0 0 129 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.932 92.0 44.4 -56.8 -50.8 47.0 14.1 49.0 208 215 A S H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 114.9 48.9 -63.6 -41.3 45.7 16.1 46.0 209 216 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -7,-0.6 0.842 112.8 48.9 -65.7 -35.4 48.6 18.6 46.1 210 217 A M H < S+ 0 0 70 -4,-2.3 -1,-0.2 -7,-0.2 -2,-0.2 0.851 111.8 48.1 -72.6 -36.7 51.0 15.7 46.3 211 218 A A H < S+ 0 0 39 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.927 114.2 46.0 -68.7 -44.7 49.4 13.9 43.4 212 219 A Y H < S+ 0 0 17 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.884 83.9 179.5 -63.1 -43.2 49.4 17.1 41.3 213 220 A N < + 0 0 90 -4,-2.0 2,-0.4 -5,-0.2 -3,-0.1 0.851 24.4 143.4 40.0 60.5 53.0 17.7 42.3 214 221 A R - 0 0 90 -5,-0.4 2,-0.3 -17,-0.1 -12,-0.2 -0.968 52.5-125.6-134.7 142.8 53.4 20.9 40.4 215 222 A T - 0 0 78 -2,-0.4 2,-0.4 -14,-0.1 -17,-0.1 -0.610 31.2-168.8 -79.3 141.7 55.2 24.2 40.9 216 223 A V - 0 0 5 -2,-0.3 65,-0.3 -18,-0.2 2,-0.2 -0.996 7.3-149.1-135.5 140.1 52.9 27.2 40.5 217 224 A K - 0 0 113 -2,-0.4 29,-0.1 4,-0.3 4,-0.1 -0.694 20.3-109.9-107.1 161.0 53.8 30.9 40.2 218 225 A Y S S+ 0 0 5 -2,-0.2 69,-0.2 1,-0.1 2,-0.2 -0.982 102.8 28.2-139.3 130.0 51.9 33.9 41.3 219 226 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.641 113.8 80.6 -62.9 162.0 50.6 35.9 39.5 220 227 A G E S-K 246 0C 32 26,-2.3 26,-2.6 -2,-0.2 2,-0.3 -0.928 73.2 -81.9 171.2-140.1 50.2 33.2 36.9 221 228 A Q E -K 245 0C 68 -2,-0.3 2,-0.4 24,-0.3 -4,-0.3 -0.987 35.6-101.1-161.8 148.9 47.9 30.3 36.0 222 229 A Y - 0 0 4 22,-1.8 21,-0.4 -2,-0.3 2,-0.3 -0.646 46.0-156.6 -74.3 133.1 47.4 26.6 36.9 223 230 A E + 0 0 103 -2,-0.4 21,-0.0 1,-0.2 19,-0.0 -0.838 58.2 10.6-117.1 150.6 49.1 24.4 34.2 224 231 A G S > S+ 0 0 25 -2,-0.3 4,-2.4 1,-0.1 -1,-0.2 0.661 72.6 136.3 63.7 22.0 48.5 20.9 33.1 225 232 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.944 73.9 49.3 -64.6 -43.9 45.3 20.3 35.0 226 233 A E H > S+ 0 0 112 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 112.9 47.3 -62.0 -40.5 43.6 18.6 32.1 227 234 A E H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.885 112.2 50.6 -67.7 -39.6 46.6 16.4 31.6 228 235 A F H X S+ 0 0 16 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.891 109.4 49.6 -65.8 -42.3 46.8 15.6 35.3 229 236 A V H < S+ 0 0 16 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 104.0 60.3 -65.7 -35.9 43.1 14.6 35.5 230 237 A K H < S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.9 37.8 -57.2 -41.1 43.5 12.3 32.5 231 238 A N H < S+ 0 0 119 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.713 126.0 39.0 -83.0 -24.7 46.1 10.3 34.4 232 239 A N >< + 0 0 57 -4,-1.5 3,-2.2 -5,-0.1 -1,-0.2 -0.640 58.8 172.4-132.4 78.5 44.3 10.6 37.7 233 240 A P G > S+ 0 0 97 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.680 74.6 75.3 -59.3 -18.0 40.5 10.3 37.4 234 241 A K G 3 S+ 0 0 148 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.798 97.2 48.4 -64.9 -25.3 40.2 10.2 41.2 235 242 A Y G X S+ 0 0 15 -3,-2.2 3,-2.3 1,-0.2 -1,-0.3 0.017 70.5 130.4-106.0 32.5 40.9 14.0 41.1 236 243 A S G X + 0 0 71 -3,-1.5 3,-2.6 1,-0.3 4,-0.2 0.792 59.7 72.6 -54.0 -34.1 38.4 14.8 38.4 237 244 A F G > S+ 0 0 106 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.721 82.2 73.0 -56.0 -21.1 37.0 17.7 40.5 238 245 A M G X S+ 0 0 0 -3,-2.3 3,-2.2 1,-0.3 -1,-0.3 0.673 71.8 84.9 -70.8 -11.7 40.1 19.6 39.8 239 246 A M G X S+ 0 0 75 -3,-2.6 3,-1.3 1,-0.3 -1,-0.3 0.761 77.8 68.2 -60.4 -23.9 38.9 20.1 36.2 240 247 A E G < S+ 0 0 169 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.771 98.6 51.1 -64.6 -26.2 37.0 23.1 37.7 241 248 A L G X S+ 0 0 45 -3,-2.2 3,-2.4 -4,-0.2 -1,-0.3 0.408 78.5 143.7 -91.4 -0.9 40.4 24.8 38.2 242 249 A N T < S- 0 0 52 -3,-1.3 -19,-0.1 1,-0.3 -3,-0.1 -0.167 81.6 -13.4 -47.9 118.8 41.6 24.1 34.6 243 250 A N T 3 S+ 0 0 81 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.675 88.1 177.8 59.1 24.3 43.7 27.1 33.5 244 251 A L < - 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