==== 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 LYASE 29-MAY-07 2Q2X . COMPND 2 MOLECULE: CURF; . SOURCE 2 ORGANISM_SCIENTIFIC: LYNGBYA MAJUSCULA; . AUTHOR T.W.GEDERS,J.C.MOWERS,J.L.SMITH . 242 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 5.4 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 1 1 1 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 0 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 16 A A 0 0 113 0, 0.0 3,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -33.3 19.7 8.0 16.0 2 17 A V + 0 0 31 1,-0.2 16,-4.0 27,-0.1 2,-0.4 0.676 360.0 46.2 -75.2 -18.1 23.4 7.8 17.0 3 18 A V E S-A 17 0A 7 14,-0.2 2,-0.4 26,-0.1 14,-0.2 -0.960 77.3-175.6-125.7 114.4 23.8 11.4 15.8 4 19 A Q E -A 16 0A 109 12,-2.1 12,-2.7 -2,-0.4 2,-0.5 -0.909 16.6-149.4-116.2 136.8 21.2 14.0 16.8 5 20 A L E +A 15 0A 37 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.895 21.0 179.0-101.2 124.0 20.7 17.6 15.9 6 21 A T E -A 14 0A 65 8,-2.4 8,-2.6 -2,-0.5 2,-0.4 -0.982 26.0-124.7-128.0 141.4 19.0 19.9 18.5 7 22 A E E -A 13 0A 138 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.663 20.0-177.6 -85.8 132.9 18.2 23.6 18.4 8 23 A L E - 0 0 58 4,-2.9 5,-0.2 -2,-0.4 -1,-0.1 0.516 49.6 -97.6-107.5 -9.6 19.6 25.8 21.2 9 24 A G E > S+A 12 0A 38 3,-0.7 3,-1.0 180,-0.0 -1,-0.1 0.133 97.9 53.2 100.3 145.1 18.1 29.1 20.2 10 25 A N T 3 S- 0 0 124 1,-0.2 3,-0.1 -3,-0.1 38,-0.0 0.761 131.1 -60.5 66.7 29.7 19.4 32.2 18.3 11 26 A G T 3 S+ 0 0 20 1,-0.3 37,-3.3 36,-0.1 38,-1.7 0.509 103.2 133.2 78.3 4.8 20.4 30.0 15.4 12 27 A V E < -Ab 9 49A 1 -3,-1.0 -4,-2.9 36,-0.2 -3,-0.7 -0.802 33.0-177.1 -87.6 121.6 22.9 28.0 17.5 13 28 A V E -Ab 7 50A 1 36,-3.1 38,-2.2 -2,-0.6 2,-0.4 -0.826 16.5-141.4-116.4 160.8 22.5 24.2 16.9 14 29 A Q E -Ab 6 51A 19 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.6 -0.978 3.6-161.3-123.3 131.3 24.2 21.2 18.5 15 30 A I E -Ab 5 52A 0 36,-3.0 38,-2.5 -2,-0.4 2,-0.5 -0.966 17.8-164.7-109.4 114.3 25.2 18.0 16.7 16 31 A T E -Ab 4 53A 31 -12,-2.7 -12,-2.1 -2,-0.6 2,-0.6 -0.907 8.7-153.2-111.0 122.3 25.7 15.2 19.3 17 32 A X E +A 3 0A 0 36,-2.8 2,-0.3 -2,-0.5 -14,-0.2 -0.829 23.2 163.6 -93.6 117.7 27.5 12.0 18.5 18 33 A K + 0 0 93 -16,-4.0 2,-0.4 -2,-0.6 -2,-0.0 -0.751 14.2 140.1-139.6 90.8 26.4 9.0 20.7 19 34 A D >> + 0 0 13 -2,-0.3 5,-2.4 1,-0.1 4,-0.9 -0.834 20.9 179.5-127.1 92.8 27.3 5.5 19.5 20 35 A E T 45S+ 0 0 133 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.772 73.6 63.0 -70.9 -28.6 28.3 3.7 22.7 21 36 A S T 45S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.907 117.4 28.7 -60.7 -41.6 29.1 0.4 21.0 22 37 A S T 45S- 0 0 23 -3,-0.4 -1,-0.2 3,-0.1 -2,-0.2 0.450 108.5-118.2 -98.3 -3.4 32.0 1.9 19.0 23 38 A R T <5S- 0 0 112 -4,-0.9 38,-0.4 1,-0.2 -3,-0.2 0.928 76.0 -53.0 62.8 46.6 32.8 4.7 21.5 24 39 A N S - 0 0 18 -2,-2.4 4,-2.5 1,-0.1 3,-0.3 -0.384 56.9-102.0 -74.2 159.4 31.2 3.4 12.6 28 43 A P H > S+ 0 0 117 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.855 124.5 49.0 -50.0 -38.3 28.7 3.2 9.7 29 44 A S H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.854 110.1 50.5 -76.2 -33.0 26.0 4.7 11.8 30 45 A I H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.930 113.1 45.6 -65.0 -46.6 28.3 7.6 13.0 31 46 A V H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.889 115.4 47.5 -65.3 -41.0 29.3 8.4 9.4 32 47 A E H X S+ 0 0 149 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.911 113.2 47.8 -65.0 -43.9 25.7 8.3 8.2 33 48 A G H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.871 112.1 49.3 -66.2 -38.9 24.5 10.4 11.2 34 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.961 112.1 47.3 -64.4 -51.6 27.2 13.0 10.6 35 50 A R H X S+ 0 0 126 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.865 115.6 47.1 -56.4 -39.6 26.5 13.3 6.9 36 51 A H H X S+ 0 0 114 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.963 113.1 46.2 -67.2 -54.4 22.7 13.5 7.6 37 52 A C H X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.855 114.5 48.0 -59.4 -37.2 23.0 16.1 10.4 38 53 A F H X S+ 0 0 11 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.843 109.6 52.0 -75.8 -31.5 25.4 18.3 8.4 39 54 A S H X S+ 0 0 47 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.846 106.7 55.0 -69.8 -33.5 23.2 18.1 5.2 40 55 A V H X S+ 0 0 37 -4,-2.1 4,-1.5 2,-0.2 3,-0.5 0.934 108.1 48.9 -59.2 -47.0 20.3 19.3 7.4 41 56 A V H < S+ 0 0 6 -4,-1.7 3,-0.3 1,-0.2 6,-0.2 0.924 107.2 56.5 -55.5 -45.2 22.4 22.3 8.4 42 57 A A H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.782 108.0 46.5 -60.9 -31.2 23.2 22.9 4.7 43 58 A Q H < S+ 0 0 144 -4,-1.3 2,-0.4 -3,-0.5 -1,-0.2 0.790 98.2 81.7 -82.1 -31.0 19.5 23.2 3.8 44 59 A N < - 0 0 44 -4,-1.5 3,-0.1 -3,-0.3 0, 0.0 -0.637 53.7-174.7 -80.1 127.0 18.6 25.5 6.7 45 60 A Q S S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.1 151,-0.1 0.281 76.8 68.3-104.0 8.4 19.4 29.2 6.1 46 61 A Q S S+ 0 0 157 -5,-0.1 -1,-0.1 150,-0.0 2,-0.1 0.669 75.6 98.4 -97.9 -23.3 18.5 30.2 9.7 47 62 A Y + 0 0 22 -6,-0.2 -35,-0.2 1,-0.1 -36,-0.1 -0.428 40.2 174.1 -73.1 143.9 21.3 28.5 11.5 48 63 A K + 0 0 43 -37,-3.3 2,-0.3 1,-0.4 -36,-0.2 0.672 62.4 21.5-118.7 -35.1 24.4 30.5 12.6 49 64 A V E -b 12 0A 0 -38,-1.7 -36,-3.1 41,-0.1 2,-0.4 -0.999 57.1-155.8-142.5 137.5 26.6 28.2 14.7 50 65 A V E -bc 13 92A 0 41,-2.3 43,-3.3 -2,-0.3 2,-0.6 -0.961 4.0-158.9-112.5 134.2 27.1 24.5 15.2 51 66 A I E -bc 14 93A 0 -38,-2.2 -36,-3.0 -2,-0.4 2,-0.5 -0.971 10.9-160.0-106.4 117.3 28.5 22.8 18.3 52 67 A L E +bc 15 94A 1 41,-2.7 43,-2.6 -2,-0.6 2,-0.3 -0.876 24.2 157.0 -99.9 127.5 29.8 19.4 17.5 53 68 A T E -bc 16 95A 4 -38,-2.5 -36,-2.8 -2,-0.5 43,-0.1 -0.946 27.8-143.3-146.4 162.6 30.1 17.2 20.6 54 69 A G - 0 0 7 41,-0.6 2,-0.3 -2,-0.3 5,-0.2 -0.067 29.8 -91.1-105.2-149.7 30.3 13.5 21.7 55 70 A Y B > -G 58 0C 107 3,-1.8 3,-2.6 4,-0.1 -36,-0.1 -0.978 68.9 -31.9-131.3 146.9 29.0 11.5 24.6 56 71 A G T 3 S- 0 0 33 -2,-0.3 -2,-0.1 1,-0.3 -36,-0.0 -0.166 127.1 -9.4 54.9-130.0 30.4 10.5 28.0 57 72 A N T 3 S+ 0 0 84 41,-0.1 42,-2.6 1,-0.1 2,-0.5 0.365 123.9 80.2 -83.0 7.6 34.1 10.0 28.0 58 73 A Y E < +Gh 55 99C 70 -3,-2.6 -3,-1.8 40,-0.3 42,-0.1 -0.949 33.6 164.9-128.3 125.5 34.3 10.2 24.1 59 74 A F E S- 0 0 0 40,-2.0 2,-0.3 -2,-0.5 41,-0.2 0.885 85.1 -27.3 -80.9 -67.2 34.3 13.0 21.5 60 75 A S E - h 0 100C 0 39,-1.6 41,-2.1 38,-0.1 -35,-0.2 -0.935 42.4-165.9-157.3 129.5 35.5 10.7 18.7 61 76 A S - 0 0 17 -37,-1.8 -36,-0.3 -38,-0.4 43,-0.2 0.561 33.6-155.5 -90.5 -9.5 37.5 7.5 18.5 62 77 A G B +f 25 0B 0 -38,-0.8 -36,-3.0 41,-0.2 2,-0.3 -0.384 57.2 2.3 68.2-147.0 38.1 7.7 14.7 63 78 A A S S- 0 0 32 -38,-0.2 41,-0.1 38,-0.1 -36,-0.1 -0.566 78.9-126.3 -77.5 132.2 38.9 4.4 12.9 64 79 A S > - 0 0 47 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.288 19.1-115.8 -70.5 161.0 38.8 1.3 15.1 65 80 A K H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.839 119.4 58.4 -65.4 -30.2 41.7 -1.1 15.2 66 81 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 105.2 49.3 -62.1 -45.2 39.3 -3.7 13.6 67 82 A Y H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 108.8 52.4 -58.8 -46.6 38.8 -1.3 10.7 68 83 A L H X S+ 0 0 16 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.886 108.2 50.9 -59.4 -40.8 42.6 -0.9 10.3 69 84 A I H X S+ 0 0 35 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.941 109.4 50.2 -63.1 -46.5 43.0 -4.7 10.2 70 85 A R H ><>S+ 0 0 93 -4,-2.4 5,-2.4 1,-0.2 3,-0.8 0.897 108.7 54.9 -54.9 -39.3 40.3 -4.9 7.5 71 86 A K H ><5S+ 0 0 21 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.868 96.8 61.3 -64.4 -37.9 42.3 -2.2 5.7 72 87 A T H 3<5S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.753 109.4 45.6 -58.3 -22.9 45.6 -4.2 5.7 73 88 A R T <<5S- 0 0 147 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.177 118.0-115.3-104.6 12.7 43.6 -6.7 3.6 74 89 A G T < 5S+ 0 0 68 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.784 77.6 127.8 58.9 33.0 42.1 -4.0 1.3 75 90 A E < + 0 0 105 -5,-2.4 2,-0.3 -8,-0.1 -4,-0.2 0.574 64.0 43.4 -93.2 -11.4 38.6 -4.7 2.5 76 91 A V S S- 0 0 26 -6,-0.3 -2,-0.1 -9,-0.1 -1,-0.1 -0.978 78.0-116.1-140.4 146.7 37.7 -1.1 3.4 77 92 A E - 0 0 129 -2,-0.3 2,-0.5 1,-0.1 -6,-0.1 -0.263 38.8 -98.8 -70.8 160.9 38.1 2.4 1.9 78 93 A V - 0 0 47 -7,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.755 43.4-130.4 -72.0 126.3 40.1 5.2 3.5 79 94 A L - 0 0 39 -2,-0.5 2,-0.5 -3,-0.0 -16,-0.1 -0.724 23.7-172.6 -82.3 127.8 37.5 7.4 5.3 80 95 A D + 0 0 76 -2,-0.5 3,-0.5 1,-0.1 -1,-0.0 -0.780 16.6 161.6-120.7 89.3 37.7 11.2 4.5 81 96 A L >> + 0 0 10 -2,-0.5 4,-0.8 1,-0.2 3,-0.7 0.409 48.1 101.1 -84.4 2.7 35.2 13.1 6.8 82 97 A S H >> S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 3,-0.9 0.870 71.2 63.8 -56.4 -43.1 37.0 16.5 6.3 83 98 A G H 3> S+ 0 0 25 -3,-0.5 4,-3.3 1,-0.2 5,-0.3 0.856 95.0 59.9 -48.7 -43.8 34.3 17.7 3.8 84 99 A L H <4 S+ 0 0 34 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.831 117.6 29.6 -56.5 -39.6 31.6 17.6 6.4 85 100 A I H X< S+ 0 0 1 -3,-0.9 3,-0.9 -4,-0.8 -2,-0.2 0.907 123.6 48.1 -84.8 -49.8 33.3 20.1 8.6 86 101 A L H 3< S+ 0 0 30 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.786 112.5 46.9 -66.3 -31.6 35.2 22.0 5.9 87 102 A D T 3< S+ 0 0 111 -4,-3.3 2,-0.3 -5,-0.3 -1,-0.2 0.500 81.9 113.8 -91.9 -4.0 32.2 22.5 3.5 88 103 A C < - 0 0 15 -3,-0.9 4,-0.1 -5,-0.3 -49,-0.1 -0.542 61.1-147.9 -65.0 125.0 29.9 23.7 6.3 89 104 A E S S+ 0 0 104 -2,-0.3 115,-0.2 2,-0.1 114,-0.2 0.736 74.2 62.1 -71.7 -25.1 29.1 27.3 5.6 90 105 A I S S- 0 0 4 1,-0.1 -41,-0.1 113,-0.1 110,-0.1 -0.713 98.0 -85.2-107.1 153.2 28.7 28.4 9.2 91 106 A P - 0 0 7 0, 0.0 -41,-2.3 0, 0.0 2,-0.4 -0.235 41.3-154.9 -56.9 141.0 31.2 28.4 12.1 92 107 A I E -c 50 0A 0 -43,-0.2 21,-1.8 -4,-0.1 20,-1.0 -0.960 5.6-156.7-117.9 136.6 31.5 25.1 14.0 93 108 A I E -cd 51 113A 0 -43,-3.3 -41,-2.7 -2,-0.4 2,-0.9 -0.975 10.6-148.4-109.2 120.1 32.7 24.8 17.6 94 109 A A E -cd 52 114A 0 19,-2.8 21,-2.9 -2,-0.5 2,-1.1 -0.803 9.0-165.3 -88.7 104.6 34.1 21.3 18.4 95 110 A A E -cd 53 115A 0 -43,-2.6 2,-1.5 -2,-0.9 -41,-0.6 -0.785 5.6-170.6 -90.3 95.2 33.3 20.8 22.1 96 111 A X E + d 0 116A 0 19,-2.7 21,-0.9 -2,-1.1 24,-0.1 -0.638 18.2 162.9 -93.2 79.4 35.6 17.8 22.8 97 112 A Q + 0 0 16 -2,-1.5 2,-0.2 19,-0.1 -1,-0.2 0.656 65.4 25.0 -76.9 -14.8 34.4 16.9 26.2 98 113 A G S S- 0 0 0 1,-0.2 -40,-0.3 -3,-0.2 19,-0.3 -0.617 106.2 -41.3-134.6-168.0 36.0 13.5 25.9 99 114 A H E -h 58 0C 32 -42,-2.6 -40,-2.0 -2,-0.2 -39,-1.6 -0.218 44.4-164.2 -65.3 147.8 38.9 11.6 24.2 100 115 A S E -hi 60 122C 0 21,-1.8 23,-2.1 -41,-0.2 2,-0.4 -0.980 7.8-173.6-135.6 123.5 39.7 12.2 20.5 101 116 A F E > - i 0 123C 39 -41,-2.1 3,-3.0 -2,-0.4 23,-0.2 -0.952 47.6 -45.6-125.0 137.2 41.9 9.8 18.5 102 117 A G T >> S+ 0 0 4 21,-2.0 4,-2.0 -2,-0.4 3,-1.4 -0.194 134.4 9.2 51.6-125.0 43.4 9.9 15.0 103 118 A G H 3> S+ 0 0 24 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.711 129.0 64.5 -55.2 -20.7 40.7 11.0 12.6 104 119 A G H <> S+ 0 0 0 -3,-3.0 4,-1.0 2,-0.2 -1,-0.3 0.867 103.3 44.5 -72.6 -36.3 38.6 11.7 15.7 105 120 A L H <> S+ 0 0 1 -3,-1.4 4,-2.5 18,-0.3 3,-0.4 0.918 113.4 51.1 -71.2 -42.1 41.1 14.4 16.7 106 121 A L H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.891 100.9 62.8 -60.1 -40.8 41.2 15.8 13.2 107 122 A L H < S+ 0 0 1 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.883 111.2 38.4 -51.1 -43.8 37.4 15.9 13.0 108 123 A G H >< S+ 0 0 0 -4,-1.0 3,-1.5 -3,-0.4 -14,-0.2 0.894 112.0 56.3 -74.1 -42.3 37.5 18.4 15.9 109 124 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.694 96.1 65.1 -68.9 -17.8 40.6 20.3 14.7 110 125 A Y T 3< S+ 0 0 17 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.710 87.0 97.2 -69.8 -23.0 39.0 21.0 11.3 111 126 A A S < S- 0 0 0 -3,-1.5 -18,-0.1 -4,-0.3 3,-0.1 -0.153 85.5-119.7 -66.6 162.3 36.4 23.2 13.2 112 127 A D S S+ 0 0 45 -20,-1.0 2,-0.3 1,-0.2 -19,-0.2 0.839 98.9 22.9 -75.8 -33.4 36.7 26.9 13.5 113 128 A F E S-d 93 0A 82 -21,-1.8 -19,-2.8 -5,-0.1 2,-0.4 -0.977 72.3-162.9-131.2 146.2 36.9 26.8 17.3 114 129 A V E -d 94 0A 2 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.997 5.4-165.5-133.5 134.1 37.9 23.9 19.5 115 130 A V E -d 95 0A 1 -21,-2.9 -19,-2.7 -2,-0.4 2,-0.3 -0.984 13.8-156.5-118.0 126.3 37.4 23.3 23.3 116 131 A F E -de 96 174A 1 57,-2.8 59,-2.3 -2,-0.5 2,-0.4 -0.724 14.5-126.4 -97.9 150.2 39.4 20.6 25.0 117 132 A S E - 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0 0 15 -5,-0.6 -1,-0.2 2,-0.2 -25,-0.1 -0.786 35.3-126.0 -87.1 145.6 48.0 25.4 23.0 171 186 A P S S+ 0 0 99 0, 0.0 -26,-0.1 0, 0.0 -1,-0.1 0.381 80.4 93.7 -73.5 3.4 45.8 28.4 22.0 172 187 A F S S- 0 0 34 1,-0.1 2,-0.2 -59,-0.1 -2,-0.2 -0.642 86.0 -98.8 -97.9 153.0 42.6 26.6 22.7 173 188 A P - 0 0 33 0, 0.0 -57,-2.8 0, 0.0 2,-0.5 -0.511 32.3-166.1 -63.7 136.0 40.5 26.5 25.9 174 189 A V E +e 116 0A 27 -2,-0.2 2,-0.2 -59,-0.2 -57,-0.2 -0.924 24.2 156.0-124.2 101.6 41.2 23.5 28.1 175 190 A V E -e 117 0A 30 -59,-2.3 -57,-2.6 -2,-0.5 -56,-0.2 -0.714 48.9 -69.6-120.7 171.8 38.5 23.2 30.8 176 191 A S >> - 0 0 29 -59,-0.2 3,-1.9 -2,-0.2 4,-1.1 -0.305 48.5-113.8 -60.2 146.8 37.0 20.4 33.0 177 192 A R H 3> S+ 0 0 64 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.813 117.4 54.8 -53.7 -37.7 34.8 17.9 31.0 178 193 A Q H 34 S+ 0 0 135 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.711 111.7 46.2 -71.0 -20.0 31.6 19.0 32.8 179 194 A D H <> S+ 0 0 81 -3,-1.9 4,-2.6 2,-0.1 5,-0.2 0.612 90.2 86.5 -90.6 -19.0 32.4 22.6 31.6 180 195 A V H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.1 0.902 93.3 37.8 -55.2 -56.0 33.3 21.8 27.9 181 196 A L H X S+ 0 0 45 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.898 116.1 52.5 -64.9 -44.9 29.8 21.9 26.3 182 197 A N H > S+ 0 0 100 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.923 110.6 48.9 -54.0 -48.7 28.6 24.8 28.5 183 198 A Y H X S+ 0 0 101 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.888 111.9 48.2 -56.6 -44.7 31.6 26.8 27.4 184 199 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.891 110.6 52.2 -66.0 -39.6 31.0 26.0 23.8 185 200 A Q H X S+ 0 0 50 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.869 110.1 47.8 -65.2 -38.7 27.4 27.0 24.1 186 201 A Q H X S+ 0 0 145 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.945 113.6 46.7 -67.2 -50.8 28.3 30.4 25.7 187 202 A L H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.889 110.3 56.7 -53.6 -40.8 30.9 31.0 22.9 188 203 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 107.3 45.2 -60.7 -44.7 28.2 29.9 20.4 189 204 A Q H < S+ 0 0 62 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.812 110.7 56.4 -68.4 -33.0 25.7 32.5 21.6 190 205 A K H >< S+ 0 0 127 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.968 112.1 40.2 -60.1 -55.6 28.4 35.1 21.6 191 206 A I H >< S+ 0 0 26 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.885 106.4 65.2 -60.2 -41.7 29.2 34.5 17.9 192 207 A A T 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.457 80.3 81.1 -67.7 -1.9 25.5 34.1 17.0 193 208 A K T < S+ 0 0 168 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.766 81.5 83.8 -69.8 -25.3 25.0 37.8 17.9 194 209 A S S < S- 0 0 50 -3,-2.1 5,-0.0 -4,-0.2 2,-0.0 -0.381 98.1 -89.2 -78.1 153.6 26.4 38.7 14.4 195 210 A P >> - 0 0 82 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.364 34.2-127.2 -57.4 139.9 24.4 38.7 11.1 196 211 A R H 3> S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 109.0 56.7 -56.6 -41.8 24.5 35.2 9.5 197 212 A L H 3> S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.848 107.7 47.0 -57.8 -39.3 25.7 36.7 6.2 198 213 A S H <> S+ 0 0 60 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.874 111.9 51.3 -70.3 -39.7 28.7 38.3 8.0 199 214 A L H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.890 112.8 45.2 -62.7 -43.6 29.4 35.0 9.8 200 215 A V H X S+ 0 0 25 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.927 116.3 46.0 -66.5 -45.8 29.3 33.0 6.5 201 216 A A H X S+ 0 0 52 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.909 113.8 48.3 -63.7 -44.3 31.4 35.7 4.7 202 217 A L H X S+ 0 0 92 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.927 109.7 52.2 -64.9 -43.7 34.0 35.9 7.5 203 218 A K H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 110.1 48.5 -59.2 -46.3 34.3 32.1 7.7 204 219 A Q H X S+ 0 0 151 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.904 113.8 47.7 -59.1 -41.0 35.0 31.8 4.0 205 220 A H H >< S+ 0 0 143 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.923 113.9 44.5 -68.3 -46.2 37.6 34.6 4.2 206 221 A L H 3< S+ 0 0 124 -4,-2.8 4,-0.3 1,-0.2 3,-0.3 0.792 115.6 49.0 -72.0 -27.9 39.5 33.2 7.2 207 222 A S H 3X S+ 0 0 30 -4,-2.1 4,-3.2 -5,-0.3 -1,-0.2 0.502 84.8 93.2 -84.4 -9.6 39.4 29.7 5.8 208 223 A A H S+ 0 0 129 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.977 118.0 38.1 -58.1 -56.5 44.4 30.0 3.0 210 225 A I H > S+ 0 0 23 -4,-0.3 4,-1.6 1,-0.2 3,-0.4 0.904 115.1 55.2 -59.9 -43.6 43.9 26.5 4.5 211 226 A K H < S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 106.3 52.0 -58.8 -38.8 41.1 25.7 1.9 212 227 A A H < S+ 0 0 80 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.807 115.7 39.9 -67.6 -34.0 43.5 26.5 -0.9 213 228 A K H X S+ 0 0 128 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.633 97.6 83.9 -86.5 -18.1 46.2 24.2 0.4 214 229 A F H X S+ 0 0 17 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.886 82.6 50.7 -63.3 -51.8 43.9 21.4 1.5 215 230 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.943 116.8 43.5 -55.4 -44.6 43.2 19.3 -1.7 216 231 A E H > S+ 0 0 85 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.906 113.7 49.9 -65.2 -43.4 47.0 19.0 -2.3 217 232 A A H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -81,-0.3 0.925 111.7 49.6 -59.3 -45.5 47.8 18.3 1.3 218 233 A I H X S+ 0 0 33 -4,-3.1 4,-1.9 1,-0.2 -83,-0.3 0.912 113.7 45.3 -58.0 -47.7 45.1 15.6 1.4 219 234 A K H X S+ 0 0 119 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.907 113.4 49.5 -65.5 -45.1 46.4 13.9 -1.8 220 235 A K H X S+ 0 0 113 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.912 111.2 47.9 -62.7 -45.3 50.1 14.1 -0.7 221 236 A E H X S+ 0 0 22 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.880 110.9 52.0 -63.9 -39.7 49.5 12.6 2.7 222 237 A L H X S+ 0 0 63 -4,-1.9 4,-2.9 -5,-0.2 5,-0.2 0.923 105.5 54.4 -62.0 -45.8 47.4 9.8 1.2 223 238 A E H X S+ 0 0 103 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.909 115.1 40.7 -51.2 -45.6 50.2 9.0 -1.3 224 239 A I H X S+ 0 0 89 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.896 112.9 53.7 -74.7 -40.9 52.6 8.6 1.7 225 240 A H H X S+ 0 0 4 -4,-3.0 4,-3.3 -92,-0.2 5,-0.4 0.928 103.9 56.4 -57.2 -46.8 50.1 6.8 3.9 226 241 A Q H X S+ 0 0 87 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.837 112.3 43.4 -57.6 -36.3 49.5 4.2 1.2 227 242 A V H < S+ 0 0 90 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.933 119.8 38.6 -70.8 -48.3 53.2 3.4 1.1 228 243 A T H < S+ 0 0 37 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.815 114.7 52.4 -79.7 -30.1 53.9 3.4 4.9 229 244 A F H < S+ 0 0 2 -4,-3.3 2,-0.9 1,-0.2 -1,-0.2 0.839 104.5 58.9 -69.2 -36.6 50.6 1.6 5.9 230 245 A N S < S+ 0 0 81 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.410 75.1 120.8 -96.2 51.1 51.2 -1.2 3.5 231 246 A Q S > S- 0 0 91 -2,-0.9 3,-1.6 -3,-0.5 4,-0.4 -0.877 74.1-111.5-108.5 151.5 54.4 -2.5 4.8 232 247 A P T > S+ 0 0 120 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.839 111.3 51.8 -50.1 -41.3 54.7 -6.1 6.0 233 248 A E T 3> S+ 0 0 114 1,-0.2 4,-1.6 2,-0.1 3,-0.1 0.576 88.2 85.0 -75.0 -10.5 55.2 -5.4 9.8 234 249 A I H <> S+ 0 0 5 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.889 81.8 55.3 -64.4 -43.3 52.2 -3.1 10.1 235 250 A A H <> S+ 0 0 40 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.923 110.3 47.6 -57.2 -44.2 49.4 -5.7 10.7 236 251 A S H > S+ 0 0 71 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.858 108.7 53.9 -66.7 -36.4 51.3 -7.1 13.6 237 252 A R H X S+ 0 0 108 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.920 109.4 48.5 -63.2 -42.9 51.9 -3.6 15.1 238 253 A I H >X S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 4,-0.6 0.930 108.3 55.3 -59.7 -45.7 48.2 -3.0 15.0 239 254 A Q H >< S+ 0 0 120 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.883 102.7 55.7 -56.0 -39.7 47.6 -6.3 16.6 240 255 A Q H 3< S+ 0 0 130 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.616 99.7 62.4 -72.2 -8.6 49.8 -5.4 19.5 241 256 A E H << 0 0 66 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.617 360.0 360.0 -92.4 -12.1 47.7 -2.3 20.1 242 257 A F << 0 0 172 -3,-1.1 -3,-0.0 -4,-0.6 0, 0.0 -0.280 360.0 360.0 -54.3 360.0 44.5 -4.2 21.0