==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-AUG-08 2ZRP . COMPND 2 MOLECULE: PROTEIN RECA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR J.R.PRABU,G.P.MANJUNATH,N.R.CHANDRA,K.MUNIYAPPA,M.VIJAYAN . 308 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 9.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 1 0 0 0 2 0 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 3 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 6 A P 0 0 185 0, 0.0 2,-0.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.2 -22.8 46.4 -29.9 2 7 A D > - 0 0 107 1,-0.1 4,-0.9 2,-0.0 5,-0.2 -0.787 360.0-138.0-100.6 138.0 -23.8 46.6 -26.2 3 8 A R H >> S+ 0 0 216 -2,-0.4 4,-1.9 2,-0.2 3,-1.3 0.958 101.4 31.9 -52.0 -70.7 -22.3 44.3 -23.5 4 9 A E H 3> S+ 0 0 53 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.882 119.7 56.3 -61.4 -35.0 -25.2 43.3 -21.3 5 10 A K H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.701 114.8 38.8 -69.8 -16.7 -27.4 43.5 -24.4 6 11 A A H S+ 0 0 61 -5,-0.2 4,-1.2 2,-0.2 3,-0.5 0.997 114.4 30.8 -61.8 -70.4 -28.2 37.0 -26.2 10 15 A A H >X S+ 0 0 53 -4,-1.4 4,-2.5 1,-0.2 3,-0.7 0.896 117.4 59.2 -52.7 -47.2 -25.5 34.3 -26.3 11 16 A M H 3X S+ 0 0 34 -4,-3.3 4,-1.4 1,-0.3 -1,-0.2 0.895 108.4 43.8 -49.6 -46.3 -26.2 33.3 -22.8 12 17 A A H 3X S+ 0 0 59 -4,-2.1 4,-1.5 -3,-0.5 -1,-0.3 0.707 111.3 58.3 -72.7 -18.9 -29.8 32.4 -23.7 13 18 A Q H X S+ 0 0 40 -4,-1.4 4,-1.8 1,-0.2 3,-0.8 0.943 106.9 52.3 -65.8 -47.1 -29.1 27.3 -22.7 16 21 A K H 3< S+ 0 0 91 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.646 114.6 46.4 -62.5 -14.8 -31.1 26.6 -25.9 17 22 A N H 3< S+ 0 0 95 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.612 132.9 6.6-103.5 -15.9 -28.1 24.5 -27.0 18 23 A F H << S- 0 0 164 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.618 113.7 -50.5-137.9 -32.3 -27.3 22.5 -23.8 19 24 A G < - 0 0 27 -4,-1.8 3,-0.4 -5,-0.4 -1,-0.4 -0.989 55.3 -74.0 172.1-178.9 -29.9 22.9 -21.0 20 25 A K S S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.870 124.9 15.9 -70.3 -37.5 -32.1 25.0 -18.8 21 26 A G S S+ 0 0 15 210,-0.2 3,-0.2 1,-0.1 -1,-0.2 -0.100 73.6 130.5-132.8 41.9 -29.2 26.1 -16.6 22 27 A S S S+ 0 0 42 -3,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.497 86.8 31.3 -72.2 0.6 -25.9 25.4 -18.3 23 28 A V S S+ 0 0 52 -3,-0.1 2,-0.3 208,-0.1 -1,-0.3 -0.753 77.1 174.2-158.8 101.9 -24.9 29.0 -17.5 24 29 A M - 0 0 52 -2,-0.2 2,-0.7 -3,-0.2 -3,-0.0 -0.793 30.9-134.1-114.0 159.3 -26.2 30.7 -14.4 25 30 A R > - 0 0 134 -2,-0.3 3,-2.1 1,-0.1 -2,-0.0 -0.954 25.0-135.2-108.9 108.1 -25.4 34.0 -12.8 26 31 A L T 3 S+ 0 0 108 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.722 100.6 62.5 -37.8 -29.1 -24.9 33.2 -9.1 27 32 A G T 3 S+ 0 0 67 2,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.872 76.9 114.0 -69.0 -36.5 -27.0 36.2 -8.2 28 33 A E < - 0 0 62 -3,-2.1 -4,-0.0 1,-0.1 0, 0.0 0.092 42.9-172.7 -39.0 137.0 -30.2 35.0 -9.8 29 34 A E + 0 0 183 204,-0.1 -1,-0.1 2,-0.0 280,-0.1 0.396 35.6 151.4-109.7 -4.3 -33.2 34.2 -7.6 30 35 A V + 0 0 100 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.154 15.6 170.4 -32.9 132.1 -35.0 32.8 -10.7 31 36 A R + 0 0 69 1,-0.1 279,-0.1 202,-0.1 -1,-0.1 -0.854 18.7 135.4-155.6 115.0 -37.6 30.0 -10.0 32 37 A Q + 0 0 108 -2,-0.3 -1,-0.1 2,-0.1 18,-0.0 -0.094 60.7 63.9-155.5 50.0 -40.2 28.4 -12.3 33 38 A P + 0 0 78 0, 0.0 17,-0.1 0, 0.0 -2,-0.0 0.512 55.1 166.6-141.2 -31.4 -40.3 24.6 -12.0 34 39 A I + 0 0 69 276,-0.1 21,-0.2 1,-0.1 18,-0.1 -0.091 28.4 122.7 43.8-132.1 -41.4 23.7 -8.5 35 40 A S + 0 0 76 1,-0.2 2,-0.3 19,-0.1 20,-0.3 0.938 47.9 154.3 42.2 65.3 -42.4 20.0 -8.3 36 41 A V - 0 0 33 18,-0.1 -1,-0.2 14,-0.1 19,-0.1 -0.874 49.2-125.1-124.0 156.8 -39.9 19.3 -5.5 37 42 A I B -A 53 0A 3 16,-2.0 16,-1.5 -2,-0.3 43,-0.1 -0.862 31.6-129.6-102.4 104.5 -39.6 16.8 -2.7 38 43 A P - 0 0 55 0, 0.0 41,-0.2 0, 0.0 14,-0.2 -0.197 9.5-151.5 -49.4 138.7 -39.2 18.7 0.6 39 44 A T - 0 0 0 12,-0.4 37,-0.1 2,-0.3 3,-0.1 0.505 37.3-113.9 -94.4 -2.0 -36.2 17.2 2.5 40 45 A G S S+ 0 0 24 1,-0.1 2,-0.5 36,-0.1 12,-0.1 0.579 92.8 102.1 81.6 7.4 -37.6 18.1 5.9 41 46 A S > - 0 0 0 1,-0.2 4,-2.5 213,-0.0 -2,-0.3 -0.914 55.7-165.9-125.9 102.0 -34.8 20.6 6.4 42 47 A I H > S+ 0 0 41 -2,-0.5 4,-2.3 1,-0.2 5,-0.3 0.930 88.2 51.3 -54.2 -51.7 -36.1 24.1 5.7 43 48 A S H > S+ 0 0 13 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.885 113.4 46.6 -54.4 -41.1 -32.6 25.7 5.5 44 49 A L H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.865 106.6 58.2 -70.1 -37.0 -31.6 23.0 3.0 45 50 A D H <>S+ 0 0 14 -4,-2.5 6,-1.6 1,-0.2 5,-0.8 0.944 113.2 37.9 -58.8 -48.2 -34.8 23.5 1.0 46 51 A V H ><5S+ 0 0 60 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.831 110.1 64.3 -71.5 -28.6 -34.1 27.2 0.4 47 52 A A H 3<5S+ 0 0 4 -4,-1.6 190,-0.3 -5,-0.3 -1,-0.2 0.807 99.9 51.1 -62.4 -30.8 -30.4 26.2 0.0 48 53 A L T 3<5S- 0 0 2 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.570 108.7-134.3 -82.6 -9.7 -31.4 24.2 -3.0 49 54 A G T < 5S+ 0 0 27 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.465 91.2 64.6 72.0 1.8 -33.1 27.4 -4.2 50 55 A I S S- 0 0 46 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.114 70.9 -66.6 -74.0 174.1 -18.1 10.5 5.7 65 70 A E T 3 S+ 0 0 131 1,-0.2 123,-0.0 2,-0.1 0, 0.0 -0.237 118.6 16.5 -61.5 152.1 -19.7 7.9 7.9 66 71 A S T 3 S+ 0 0 84 1,-0.1 -1,-0.2 -3,-0.1 141,-0.0 0.832 85.7 125.4 52.0 42.8 -22.4 9.1 10.4 67 72 A S S < S- 0 0 5 -3,-0.7 140,-0.1 -4,-0.1 142,-0.1 0.652 81.7-103.5-100.4 -23.3 -22.9 12.5 8.6 68 73 A G S >> S+ 0 0 14 138,-0.1 4,-2.2 140,-0.1 3,-0.7 0.185 81.5 125.6 118.2 -16.8 -26.7 12.4 8.1 69 74 A K H 3> S+ 0 0 6 1,-0.3 4,-2.4 -5,-0.3 3,-0.4 0.882 77.3 45.1 -36.3 -68.2 -26.7 11.5 4.3 70 75 A T H 3> S+ 0 0 45 1,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.832 111.7 56.0 -49.2 -37.1 -28.9 8.5 4.7 71 76 A T H <> S+ 0 0 11 -3,-0.7 4,-3.4 2,-0.2 -1,-0.2 0.928 105.5 49.1 -64.0 -47.2 -31.2 10.5 7.0 72 77 A V H X S+ 0 0 2 -4,-2.2 4,-3.0 -3,-0.4 -2,-0.2 0.967 114.7 47.1 -54.9 -51.7 -31.7 13.2 4.5 73 78 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.951 112.6 46.7 -56.4 -55.4 -32.6 10.5 1.9 74 79 A L H X S+ 0 0 2 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.919 112.3 52.4 -54.4 -41.3 -34.9 8.7 4.2 75 80 A H H X S+ 0 0 16 -4,-3.4 4,-1.7 1,-0.2 5,-0.3 0.927 107.4 51.8 -59.2 -43.7 -36.4 12.0 5.0 76 81 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.937 106.2 55.2 -57.3 -46.3 -36.9 12.6 1.3 77 82 A V H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.877 107.9 49.6 -53.9 -43.5 -38.6 9.2 1.1 78 83 A A H >X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 3,-0.7 0.999 109.0 46.4 -60.9 -69.0 -41.2 10.2 3.7 79 84 A N H 3X S+ 0 0 55 -4,-1.7 4,-1.0 1,-0.3 -1,-0.2 0.802 114.7 54.3 -45.7 -27.3 -42.3 13.6 2.4 80 85 A A H 3< S+ 0 0 6 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.926 111.6 39.7 -75.7 -44.8 -42.5 11.7 -0.9 81 86 A Q H XX S+ 0 0 21 -4,-2.3 3,-1.3 -3,-0.7 4,-1.0 0.934 106.5 64.9 -68.4 -46.5 -44.7 8.9 0.3 82 87 A A H 3< S+ 0 0 92 -4,-2.8 2,-0.5 1,-0.3 -1,-0.2 0.834 101.6 51.0 -44.5 -41.7 -46.9 11.2 2.4 83 88 A A T 3< S- 0 0 84 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.275 136.4 -84.1 -94.2 48.2 -48.0 13.0 -0.8 84 89 A G T <4 S+ 0 0 72 -3,-1.3 2,-0.3 -2,-0.5 -3,-0.2 0.956 82.0 140.8 51.7 68.6 -48.9 9.7 -2.4 85 90 A G < - 0 0 12 -4,-1.0 2,-0.5 -7,-0.1 -1,-0.2 -0.920 47.3-126.6-134.7 162.4 -45.7 8.4 -3.8 86 91 A I - 0 0 80 48,-0.4 50,-2.2 -2,-0.3 51,-1.0 -0.945 23.2-160.1-114.1 123.4 -43.9 5.0 -4.2 87 92 A A E -d 137 0B 2 -2,-0.5 25,-2.1 23,-0.4 2,-0.5 -0.850 4.9-163.8-108.2 135.8 -40.3 4.7 -2.9 88 93 A A E -de 138 112B 1 49,-1.8 51,-2.0 -2,-0.4 2,-0.6 -0.960 2.7-164.1-118.2 129.2 -37.8 2.0 -3.9 89 94 A F E -de 139 113B 5 23,-3.7 25,-1.9 -2,-0.5 2,-1.3 -0.904 4.2-161.6-115.7 103.4 -34.7 1.4 -1.8 90 95 A I E -de 140 114B 1 49,-2.1 51,-0.7 -2,-0.6 2,-0.4 -0.686 18.3-162.7 -87.8 94.4 -31.9 -0.6 -3.5 91 96 A D + 0 0 3 23,-1.7 51,-0.1 -2,-1.3 49,-0.1 -0.616 32.9 151.9 -83.2 125.9 -29.9 -1.8 -0.5 92 97 A A S S+ 0 0 27 -2,-0.4 -1,-0.1 49,-0.3 50,-0.1 0.255 77.2 54.6-130.9 6.1 -26.3 -3.1 -1.0 93 98 A E S S- 0 0 78 0, 0.0 -2,-0.1 0, 0.0 49,-0.1 0.687 88.2-145.1-105.7 -35.7 -25.0 -2.1 2.4 94 99 A H + 0 0 128 47,-0.0 21,-0.0 1,-0.0 -3,-0.0 0.905 63.5 119.1 69.1 41.3 -27.6 -3.9 4.5 95 100 A A + 0 0 72 2,-0.0 -1,-0.0 0, 0.0 -4,-0.0 0.609 30.4 124.7-111.9 -16.6 -27.5 -1.2 7.1 96 101 A L - 0 0 53 1,-0.1 -5,-0.0 2,-0.0 -26,-0.0 -0.089 43.3-158.4 -50.0 139.8 -31.1 0.1 7.0 97 102 A D > - 0 0 83 1,-0.1 4,-2.1 2,-0.0 3,-0.4 -0.932 4.6-163.2-126.4 102.4 -33.0 0.2 10.3 98 103 A P H > S+ 0 0 74 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.815 88.4 61.4 -52.8 -37.9 -36.8 0.3 9.8 99 104 A E H > S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.953 109.6 39.2 -56.4 -52.5 -37.3 1.4 13.4 100 105 A Y H 4 S+ 0 0 51 -3,-0.4 -1,-0.2 2,-0.2 4,-0.1 0.861 115.9 54.8 -66.2 -35.9 -35.3 4.6 12.9 101 106 A A H >X>S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.2 5,-1.5 0.962 108.8 44.8 -63.0 -54.4 -36.9 5.0 9.4 102 107 A K H ><5S+ 0 0 46 -4,-3.3 3,-0.9 1,-0.3 -1,-0.2 0.881 106.3 61.9 -57.8 -39.4 -40.5 4.8 10.6 103 108 A K T 3<5S+ 0 0 156 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.528 103.8 51.4 -66.3 -3.9 -39.6 7.2 13.4 104 109 A L T <45S- 0 0 21 -3,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.656 130.1 -90.8-103.3 -22.3 -38.7 9.7 10.7 105 110 A G T <<5S+ 0 0 48 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.407 75.7 142.0 127.6 3.3 -42.0 9.3 8.8 106 111 A V < - 0 0 11 -5,-1.5 2,-0.9 -8,-0.1 -1,-0.3 -0.436 51.2-131.7 -77.6 148.1 -41.4 6.6 6.2 107 112 A D + 0 0 81 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.0 -0.894 30.5 176.4 -97.0 106.6 -44.0 4.1 5.4 108 113 A T S > S+ 0 0 46 -2,-0.9 3,-3.7 2,-0.2 -1,-0.2 0.944 71.0 61.5 -78.4 -51.3 -42.0 0.9 5.7 109 114 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.862 113.3 38.9 -41.0 -47.1 -44.7 -1.6 5.1 110 115 A S T 3 S+ 0 0 64 2,-0.1 2,-0.5 0, 0.0 -23,-0.4 0.067 92.8 114.7 -95.9 26.4 -45.2 -0.1 1.6 111 116 A L < - 0 0 21 -3,-3.7 2,-0.7 -25,-0.1 -23,-0.2 -0.842 62.9-135.3 -99.8 127.0 -41.5 0.4 1.0 112 117 A L E -e 88 0B 86 -25,-2.1 -23,-3.7 -2,-0.5 2,-0.4 -0.688 26.7-176.8 -84.0 115.4 -39.8 -1.6 -1.8 113 118 A V E +e 89 0B 79 -2,-0.7 2,-0.4 -25,-0.2 -23,-0.2 -0.907 5.9 179.9-113.1 139.6 -36.5 -3.0 -0.7 114 119 A S E -e 90 0B 25 -25,-1.9 -23,-1.7 -2,-0.4 -2,-0.0 -0.999 16.9-159.9-138.3 135.3 -34.2 -5.0 -2.9 115 120 A Q - 0 0 110 -2,-0.4 -23,-0.1 -25,-0.2 -25,-0.1 -0.664 22.8-154.7-117.2 76.3 -30.9 -6.4 -1.9 116 121 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.030 10.0-148.0 -44.6 152.4 -29.1 -7.0 -5.3 117 122 A D S S+ 0 0 129 1,-0.1 2,-0.3 2,-0.0 3,-0.0 0.824 81.2 30.7 -94.8 -42.6 -26.4 -9.6 -5.5 118 123 A T S > S- 0 0 26 1,-0.1 4,-1.9 28,-0.1 -1,-0.1 -0.758 79.7-122.5-112.6 163.2 -24.1 -8.0 -8.1 119 124 A G H > S+ 0 0 3 28,-2.3 4,-1.8 -2,-0.3 5,-0.1 0.825 117.0 54.0 -72.1 -28.4 -23.6 -4.3 -8.6 120 125 A E H > S+ 0 0 70 27,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.870 106.2 53.1 -70.7 -36.3 -24.7 -4.8 -12.2 121 126 A Q H > S+ 0 0 69 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.943 105.6 53.1 -63.0 -49.2 -27.9 -6.4 -10.9 122 127 A A H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.931 111.7 44.8 -52.9 -52.1 -28.6 -3.4 -8.6 123 128 A L H X S+ 0 0 5 -4,-1.8 4,-1.1 2,-0.2 -1,-0.3 0.708 115.9 49.6 -66.9 -21.7 -28.3 -1.0 -11.5 124 129 A E H >X S+ 0 0 111 -4,-1.1 4,-3.3 -3,-0.5 3,-0.7 0.960 114.5 39.7 -77.5 -66.9 -30.4 -3.3 -13.7 125 130 A I H 3X S+ 0 0 45 -4,-3.0 4,-1.2 1,-0.3 -2,-0.2 0.671 116.1 55.2 -56.8 -16.5 -33.2 -3.9 -11.3 126 131 A A H 3X S+ 0 0 1 -4,-1.4 4,-1.4 -5,-0.4 -1,-0.3 0.866 112.0 41.0 -83.1 -39.8 -33.1 -0.2 -10.3 127 132 A D H < S+ 0 0 0 -4,-1.4 3,-2.2 -3,-0.3 4,-0.4 0.957 99.1 65.0 -71.5 -52.3 -37.8 3.1 -12.8 131 136 A R H 3< S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.630 87.6 73.4 -46.3 -18.5 -38.9 2.4 -16.4 132 137 A S T 3< S- 0 0 74 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.1 0.365 97.5-139.0 -79.6 7.0 -42.3 1.4 -15.0 133 138 A G S < S+ 0 0 52 -3,-2.2 -2,-0.1 1,-0.1 -3,-0.1 0.807 74.4 103.8 37.2 46.2 -43.0 5.1 -14.3 134 139 A A + 0 0 47 -5,-0.5 -48,-0.4 -4,-0.4 2,-0.2 0.622 52.5 88.3-122.4 -26.3 -44.5 4.3 -10.9 135 140 A L - 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0 0 6 0, 0.0 3,-0.3 0, 0.0 -3,-0.1 -0.516 59.5-138.0 -69.8 131.3 -27.2 28.7 -8.4 235 256 A P S S+ 0 0 26 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 0.104 71.6 61.1 -77.3-167.0 -24.8 26.4 -6.6 236 257 A F + 0 0 118 -9,-2.1 -8,-0.2 1,-0.2 2,-0.1 0.629 67.2 143.4 61.1 20.5 -22.4 26.7 -3.7 237 258 A K E -H 227 0B 72 -10,-0.5 -10,-1.7 -3,-0.3 2,-0.3 -0.496 36.2-148.1 -81.8 158.0 -25.2 27.5 -1.2 238 259 A Q E -H 226 0B 104 -12,-0.2 2,-0.3 -2,-0.1 -12,-0.2 -0.801 15.0-174.9-124.7 168.6 -24.8 26.1 2.3 239 260 A A E -H 225 0B 7 -14,-1.2 -14,-2.7 -2,-0.3 2,-0.3 -0.859 6.2-165.1-166.5 128.7 -27.2 24.9 5.0 240 261 A E E +H 224 0B 68 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.790 17.4 158.9-113.2 157.7 -26.9 23.7 8.6 241 262 A F E -H 223 0B 0 -18,-1.5 -18,-2.4 -2,-0.3 2,-0.3 -0.945 36.3-103.1-170.7 155.3 -29.5 21.8 10.7 242 263 A D E -H 222 0B 6 8,-0.3 8,-2.3 -2,-0.3 2,-0.4 -0.631 18.9-162.2 -91.4 146.5 -29.7 19.6 13.8 243 264 A I E -HI 221 249B 13 -22,-2.5 -22,-1.2 -2,-0.3 6,-0.3 -0.830 12.8-151.7-126.8 92.1 -30.2 15.8 13.7 244 265 A L E >> - I 0 248B 13 4,-1.4 4,-2.0 -2,-0.4 3,-1.5 -0.394 29.6-109.1 -62.9 138.0 -31.4 14.4 17.1 245 266 A Y T 34 S+ 0 0 65 1,-0.2 -1,-0.1 2,-0.2 -25,-0.1 -0.583 103.1 11.1 -74.1 111.8 -30.3 10.9 17.6 246 267 A G T 34 S+ 0 0 32 -2,-0.7 -1,-0.2 -146,-0.0 -2,-0.1 0.350 126.6 57.9 105.3 -5.2 -33.3 8.7 17.3 247 268 A Q T <4 S- 0 0 131 -3,-1.5 2,-0.2 1,-0.2 -2,-0.2 0.506 91.1-143.0-126.6 -22.0 -35.7 11.3 16.0 248 269 A G E < +I 244 0B 0 -4,-2.0 -4,-1.4 2,-0.1 -1,-0.2 -0.585 58.4 7.9 91.6-153.8 -34.0 12.4 12.8 249 270 A I E S-I 243 0B 15 -6,-0.3 2,-1.0 -2,-0.2 -6,-0.2 -0.390 73.1-127.1 -66.5 138.9 -33.9 16.0 11.5 250 271 A S > - 0 0 8 -8,-2.3 4,-1.3 1,-0.2 -8,-0.3 -0.752 24.1-178.4 -95.6 99.1 -35.3 18.7 13.8 251 272 A R H >> S+ 0 0 71 -2,-1.0 4,-1.7 1,-0.2 3,-1.2 0.954 88.3 52.4 -54.2 -52.1 -38.0 20.8 12.0 252 273 A E H 3> S+ 0 0 42 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.925 105.8 52.1 -48.7 -55.7 -38.3 22.8 15.2 253 274 A G H 3> S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.753 105.8 58.3 -55.5 -24.6 -34.6 23.4 15.4 254 275 A S H S+ 0 0 5 -4,-1.3 6,-1.7 -5,-0.4 5,-1.4 0.804 109.4 43.0 -66.2 -31.1 -36.2 32.3 12.6 260 281 A V H ><5S+ 0 0 62 -4,-2.7 3,-1.1 3,-0.2 -1,-0.2 0.768 104.3 62.3 -85.4 -28.5 -33.4 34.4 14.1 261 282 A E T 3<5S+ 0 0 149 -4,-0.6 -1,-0.2 -5,-0.5 -2,-0.2 0.572 114.4 38.9 -72.8 -6.3 -31.4 34.8 10.8 262 283 A H T 3 5S- 0 0 51 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.205 111.0-117.2-127.5 13.7 -34.6 36.6 9.6 263 284 A G T < 5S+ 0 0 45 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.498 81.1 117.8 64.7 5.3 -35.6 38.6 12.6 264 285 A F S S- K 0 277C 31 3,-3.1 3,-0.6 -2,-0.3 -9,-0.1 -0.960 74.3 -18.1-143.7 121.6 -41.6 35.8 19.3 275 296 A E T 3 S- 0 0 147 -11,-0.4 2,-1.4 -2,-0.4 -1,-0.1 0.926 126.2 -49.9 50.1 54.7 -44.3 38.6 19.1 276 297 A G T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -3,-0.0 2,-0.0 -0.470 121.1 94.6 89.5 -66.3 -43.8 39.6 22.7 277 298 A E E < S-K 274 0C 144 -2,-1.4 -3,-3.1 -3,-0.6 2,-0.2 -0.317 71.2-131.1 -62.7 142.9 -44.1 36.2 24.4 278 299 A Q E -K 273 0C 89 -5,-0.3 -5,-0.3 1,-0.1 -6,-0.1 -0.636 10.2-157.2 -96.1 153.5 -40.8 34.4 25.1 279 300 A L - 0 0 37 -7,-2.9 2,-0.3 1,-0.3 10,-0.2 0.749 56.4 -73.3-100.5 -29.0 -40.0 30.7 24.2 280 301 A G - 0 0 14 -8,-1.2 2,-0.6 6,-0.1 -1,-0.3 -0.961 46.4 -71.3 159.8-175.8 -37.3 29.9 26.6 281 302 A Q S S+ 0 0 38 -2,-0.3 -10,-0.2 -10,-0.2 4,-0.1 -0.848 98.2 9.4-116.3 96.6 -33.6 30.3 27.7 282 303 A G S >> S- 0 0 19 -2,-0.6 3,-1.9 1,-0.1 4,-1.6 0.226 87.6 -91.8 107.3 128.9 -31.2 28.5 25.4 283 304 A K H 3> S+ 0 0 45 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.824 123.2 53.6 -33.0 -62.3 -31.9 26.8 22.0 284 305 A E H 3> S+ 0 0 53 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.834 112.5 47.4 -48.3 -36.1 -32.6 23.3 23.4 285 306 A N H <> S+ 0 0 105 -3,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.858 110.6 48.6 -75.2 -37.8 -35.2 24.9 25.7 286 307 A A H X S+ 0 0 0 -4,-1.6 4,-0.7 -3,-0.4 -1,-0.2 0.558 106.2 61.2 -78.3 -10.2 -36.9 27.0 23.0 287 308 A R H >X S+ 0 0 44 -4,-1.4 4,-1.4 -5,-0.3 3,-0.7 0.917 103.0 47.8 -78.9 -49.4 -37.0 23.9 20.9 288 309 A K H >X S+ 0 0 50 -4,-1.4 3,-1.0 1,-0.3 4,-0.7 0.937 104.8 61.2 -55.7 -47.5 -39.2 22.1 23.4 289 310 A F H 3X S+ 0 0 12 -4,-1.6 4,-1.5 1,-0.3 3,-0.5 0.831 109.0 42.9 -48.1 -37.3 -41.5 25.1 23.6 290 311 A L H << S+ 0 0 15 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.708 102.7 65.8 -83.7 -22.1 -42.2 24.6 19.9 291 312 A L H << S+ 0 0 65 -4,-1.4 -1,-0.2 -3,-1.0 -2,-0.2 0.540 110.1 39.7 -77.0 -5.0 -42.6 20.9 20.1 292 313 A E H < S+ 0 0 143 -4,-0.7 2,-0.7 -3,-0.5 -2,-0.2 0.802 111.8 50.9-107.0 -54.3 -45.7 21.5 22.3 293 314 A N X + 0 0 75 -4,-1.5 4,-0.5 1,-0.2 -1,-0.3 -0.806 63.3 173.4 -88.1 116.9 -47.4 24.5 20.6 294 315 A T H > S+ 0 0 71 -2,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.797 71.2 56.0 -96.6 -31.6 -47.7 23.6 16.9 295 316 A D H > S+ 0 0 125 2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.767 103.6 58.0 -71.8 -22.6 -49.9 26.4 15.5 296 317 A V H > S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.926 113.1 39.5 -68.6 -43.2 -47.3 28.9 16.9 297 318 A A H X S+ 0 0 1 -4,-0.5 4,-3.9 1,-0.2 5,-0.4 0.886 108.1 61.5 -71.1 -41.0 -44.7 27.1 14.7 298 319 A N H X S+ 0 0 69 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.744 107.1 48.2 -57.7 -23.0 -47.2 26.6 11.9 299 320 A E H X S+ 0 0 103 -4,-0.8 4,-2.7 -3,-0.3 -1,-0.2 0.897 113.1 44.0 -84.0 -45.2 -47.2 30.4 11.8 300 321 A I H X S+ 0 0 19 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.926 116.7 47.5 -65.1 -44.4 -43.4 30.9 11.9 301 322 A E H X S+ 0 0 70 -4,-3.9 4,-1.5 1,-0.2 3,-0.2 0.931 113.5 49.2 -60.5 -43.2 -43.0 28.2 9.3 302 323 A K H < S+ 0 0 59 -4,-1.0 4,-0.4 -5,-0.4 -2,-0.2 0.880 109.2 53.5 -61.4 -40.1 -45.8 29.9 7.3 303 324 A K H X S+ 0 0 25 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.797 107.8 47.6 -67.7 -32.9 -44.0 33.2 7.7 304 325 A I H X S+ 0 0 5 -4,-1.8 4,-0.8 -3,-0.2 -1,-0.2 0.793 104.7 57.9 -81.4 -28.4 -40.6 32.1 6.3 305 326 A K H < S+ 0 0 49 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.612 109.9 48.8 -74.3 -11.2 -42.0 30.3 3.2 306 327 A E H 4 S+ 0 0 81 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.713 101.8 60.4 -96.2 -28.9 -43.5 33.7 2.5 307 328 A K H < S+ 0 0 131 -4,-0.9 2,-0.2 2,-0.1 -2,-0.2 0.697 118.0 21.5 -72.4 -18.0 -40.2 35.6 3.0 308 329 A L S < S- 0 0 72 -4,-0.8 -262,-0.0 1,-0.2 0, 0.0 -0.782 110.5 -36.4-138.8-179.2 -38.6 33.6 0.2 309 330 A G 0 0 76 -2,-0.2 -1,-0.2 -263,-0.1 -2,-0.1 -0.045 360.0 360.0 -44.3 135.0 -39.4 31.5 -2.9 310 331 A I 0 0 129 -4,-0.1 -276,-0.1 -279,-0.1 -1,-0.1 -0.630 360.0 360.0-149.6 360.0 -42.6 29.3 -2.6