==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 12-JAN-05 1YIO . COMPND 2 MOLECULE: RESPONSE REGULATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.MILANI,L.LEONI,G.RAMPIONI,E.ZENNARO,P.ASCENZI,M.BOLOGNESI . 198 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11874.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 0 1 1 0 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 95 0, 0.0 45,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 171.5 -5.8 22.1 16.8 2 4 A K - 0 0 146 1,-0.1 2,-0.6 25,-0.0 45,-0.2 -0.430 360.0-108.2 -62.2 133.0 -3.5 22.6 19.8 3 5 A P - 0 0 52 0, 0.0 25,-2.0 0, 0.0 2,-0.5 -0.557 46.3-173.1 -61.3 113.9 -0.9 19.8 20.4 4 6 A T E -ab 28 48A 22 43,-1.1 45,-1.6 -2,-0.6 2,-0.6 -0.947 18.3-153.2-118.0 129.3 -2.3 18.0 23.4 5 7 A V E -ab 29 49A 0 23,-2.6 25,-2.2 -2,-0.5 2,-0.5 -0.925 11.6-154.4 -99.3 121.7 -0.5 15.3 25.3 6 8 A F E -ab 30 50A 7 43,-2.9 45,-3.3 -2,-0.6 2,-0.6 -0.872 8.2-161.2 -93.8 125.8 -2.9 13.0 27.1 7 9 A V E -ab 31 51A 0 23,-3.2 25,-2.4 -2,-0.5 2,-0.6 -0.937 7.8-174.6-112.5 118.6 -1.3 11.3 30.1 8 10 A V E +ab 32 52A 0 43,-3.2 45,-2.8 -2,-0.6 2,-0.3 -0.916 30.2 122.0-119.3 110.7 -3.0 8.2 31.4 9 11 A D - 0 0 0 23,-1.9 6,-0.1 -2,-0.6 25,-0.1 -0.923 54.2-138.1-164.7 133.1 -1.5 6.8 34.6 10 12 A D S S+ 0 0 64 45,-0.3 2,-0.4 -2,-0.3 23,-0.1 0.714 78.3 94.5 -68.4 -20.9 -3.0 6.1 38.1 11 13 A D > - 0 0 68 1,-0.1 4,-2.2 2,-0.0 3,-0.3 -0.615 66.7-148.2 -87.0 126.9 0.0 7.4 40.0 12 14 A M H > S+ 0 0 120 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.831 95.8 55.2 -59.9 -39.6 -0.1 11.1 41.1 13 15 A S H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 109.7 47.8 -65.0 -36.8 3.7 11.7 40.7 14 16 A V H > S+ 0 0 17 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.959 114.1 45.8 -66.9 -50.5 3.6 10.5 37.2 15 17 A R H X S+ 0 0 51 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.906 120.5 38.8 -58.5 -46.3 0.6 12.7 36.3 16 18 A E H X S+ 0 0 91 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.936 115.6 52.2 -71.7 -46.9 2.0 15.8 38.0 17 19 A G H X S+ 0 0 42 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.905 114.8 42.5 -54.5 -44.6 5.6 15.2 36.9 18 20 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.858 109.6 56.1 -71.9 -37.9 4.5 14.8 33.3 19 21 A R H X S+ 0 0 83 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.947 113.8 42.3 -55.6 -48.0 2.0 17.8 33.4 20 22 A N H X S+ 0 0 83 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 116.0 47.4 -65.5 -50.8 5.0 19.9 34.6 21 23 A L H < S+ 0 0 23 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.904 115.5 45.3 -52.7 -44.2 7.5 18.4 32.1 22 24 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-1.1 0.885 111.9 49.6 -79.3 -37.4 5.1 18.8 29.2 23 25 A R H ><5S+ 0 0 108 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.871 103.9 60.9 -57.5 -44.0 4.0 22.3 30.0 24 26 A S T 3<5S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.368 107.6 48.6 -67.3 7.9 7.6 23.3 30.3 25 27 A A T < 5S- 0 0 49 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.322 123.1 -97.1-129.1 1.4 7.8 22.2 26.6 26 28 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.505 79.2 129.9 93.9 5.1 4.8 24.0 25.0 27 29 A F < - 0 0 34 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.2 -0.727 57.2-129.2 -91.7 141.2 2.3 21.2 25.1 28 30 A E E -a 4 0A 61 -25,-2.0 -23,-2.6 -2,-0.4 2,-0.4 -0.574 33.8-152.6 -67.4 150.0 -1.2 21.3 26.5 29 31 A V E -a 5 0A 12 -25,-0.2 2,-0.4 -2,-0.2 -23,-0.2 -0.994 21.0-177.0-133.9 143.1 -1.7 18.4 28.9 30 32 A E E -a 6 0A 90 -25,-2.2 -23,-3.2 -2,-0.4 2,-0.4 -0.997 14.3-163.9-132.9 133.6 -4.7 16.4 29.9 31 33 A T E -a 7 0A 52 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.935 10.3-176.9-126.3 150.6 -4.3 13.7 32.6 32 34 A F E -a 8 0A 13 -25,-2.4 -23,-1.9 -2,-0.4 3,-0.1 -0.974 20.7-154.3-139.4 144.0 -6.6 10.8 33.6 33 35 A D S S+ 0 0 87 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.429 85.4 44.4 -98.8 -2.2 -6.0 8.4 36.5 34 36 A C S > S- 0 0 20 1,-0.1 4,-1.2 -25,-0.1 24,-0.1 -0.962 76.3-130.4-136.1 149.8 -8.1 5.8 34.7 35 37 A A H > S+ 0 0 0 22,-0.5 4,-2.5 24,-0.4 5,-0.2 0.936 106.8 54.1 -64.0 -46.5 -8.5 4.5 31.1 36 38 A S H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.818 103.3 54.3 -64.4 -30.3 -12.2 4.8 31.0 37 39 A T H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 111.2 48.7 -67.4 -40.1 -12.2 8.6 32.0 38 40 A F H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.957 112.1 46.8 -55.6 -55.1 -9.9 9.1 29.1 39 41 A L H < S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 110.4 53.7 -58.1 -37.8 -12.1 7.1 26.7 40 42 A E H < S+ 0 0 128 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 116.7 37.2 -65.5 -38.4 -15.2 9.0 27.9 41 43 A H H < S+ 0 0 110 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.672 90.8 119.7 -84.8 -18.2 -13.5 12.3 27.2 42 44 A R < - 0 0 11 -4,-2.0 -3,-0.0 -5,-0.2 -4,-0.0 -0.251 38.4-175.5 -61.5 124.3 -11.7 11.2 24.0 43 45 A R > - 0 0 136 -2,-0.1 3,-1.9 1,-0.1 -1,-0.0 -0.992 21.2-146.1-115.4 117.7 -12.6 13.1 20.8 44 46 A P T 3 S+ 0 0 63 0, 0.0 30,-0.1 0, 0.0 -1,-0.1 0.535 95.6 64.1 -66.3 -3.3 -10.9 11.6 17.8 45 47 A E T 3 S+ 0 0 127 2,-0.1 2,-0.4 0, 0.0 -3,-0.0 0.625 77.0 104.5 -88.8 -19.7 -10.6 15.1 16.2 46 48 A Q S < S- 0 0 63 -3,-1.9 2,-0.2 1,-0.1 -3,-0.0 -0.527 73.7-131.5 -68.9 121.8 -8.3 16.3 19.0 47 49 A H + 0 0 19 -2,-0.4 -43,-1.1 -45,-0.2 2,-0.3 -0.545 56.3 102.2 -70.4 136.2 -4.7 16.5 17.8 48 50 A G E -b 4 0A 0 -2,-0.2 2,-0.3 -45,-0.2 -43,-0.2 -0.993 60.6-103.5 169.7-177.5 -2.4 14.8 20.3 49 51 A C E -b 5 0A 0 -45,-1.6 -43,-2.9 -2,-0.3 2,-0.5 -0.966 28.1-134.4-138.1 143.8 -0.3 11.9 21.6 50 52 A L E -bc 6 77A 0 26,-2.7 28,-2.9 -2,-0.3 2,-0.6 -0.913 9.0-162.5-106.3 124.9 -1.2 9.5 24.4 51 53 A V E -bc 7 78A 0 -45,-3.3 -43,-3.2 -2,-0.5 2,-0.5 -0.961 26.1-166.2-101.2 122.7 1.3 8.6 27.1 52 54 A L E -bc 8 79A 0 26,-2.9 28,-2.7 -2,-0.6 -43,-0.2 -0.937 22.2-143.3-132.7 122.7 0.0 5.4 28.6 53 55 A D E - c 0 80A 6 -45,-2.8 28,-0.2 -2,-0.5 3,-0.1 -0.444 14.8-142.4 -68.5 141.2 0.7 3.4 31.8 54 56 A M S S+ 0 0 23 26,-1.4 7,-2.5 1,-0.2 2,-0.5 0.899 85.8 42.1 -69.2 -46.9 0.5 -0.5 31.4 55 57 A R + 0 0 126 5,-0.2 -45,-0.3 6,-0.1 -1,-0.2 -0.928 69.0 137.4-116.1 121.4 -1.1 -1.2 34.8 56 58 A M - 0 0 21 -2,-0.5 2,-0.1 2,-0.2 -22,-0.1 -0.934 60.6 -72.3-147.9 162.9 -4.0 0.9 36.2 57 59 A P S S- 0 0 91 0, 0.0 2,-0.5 0, 0.0 -22,-0.5 -0.439 107.9 -4.0 -58.5 132.7 -7.3 0.2 38.1 58 60 A G S S+ 0 0 75 -2,-0.1 2,-0.2 -24,-0.1 -2,-0.2 -0.729 128.5 29.3 88.2-127.2 -9.8 -1.2 35.7 59 61 A M S S- 0 0 54 -2,-0.5 -24,-0.4 -4,-0.1 -23,-0.1 -0.505 78.8-135.2 -69.8 134.8 -8.6 -1.4 32.1 60 62 A S > - 0 0 29 -2,-0.2 4,-2.2 -5,-0.1 -5,-0.2 -0.262 31.9 -96.7 -74.6 173.7 -4.9 -1.9 31.6 61 63 A G H > S+ 0 0 0 -7,-2.5 4,-1.9 2,-0.2 -7,-0.1 0.870 126.5 48.2 -61.2 -40.9 -3.0 0.1 29.0 62 64 A I H > S+ 0 0 38 -8,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.920 109.9 53.1 -65.4 -44.7 -3.2 -2.7 26.4 63 65 A E H > S+ 0 0 86 1,-0.2 4,-1.1 -9,-0.2 -2,-0.2 0.875 109.4 48.2 -60.2 -40.6 -6.9 -3.1 27.1 64 66 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.4 0.908 109.3 53.7 -61.4 -43.5 -7.4 0.7 26.5 65 67 A Q H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.863 104.0 55.9 -59.2 -39.2 -5.4 0.4 23.3 66 68 A E H X S+ 0 0 100 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.824 107.0 50.0 -59.6 -36.5 -7.7 -2.4 22.1 67 69 A Q H X S+ 0 0 75 -4,-1.1 4,-1.9 -3,-0.4 -2,-0.2 0.915 111.1 48.1 -67.5 -45.3 -10.7 -0.1 22.5 68 70 A L H <>S+ 0 0 4 -4,-2.2 5,-2.8 1,-0.2 -2,-0.2 0.900 112.8 48.7 -64.7 -41.5 -8.9 2.6 20.5 69 71 A T H ><5S+ 0 0 75 -4,-2.8 3,-2.1 3,-0.2 -2,-0.2 0.956 108.4 55.4 -56.5 -50.5 -8.0 0.1 17.8 70 72 A A H 3<5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 113.3 39.5 -55.5 -38.3 -11.7 -1.1 17.8 71 73 A I T 3<5S- 0 0 106 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.169 113.2-114.9 -99.7 14.7 -13.1 2.3 17.1 72 74 A S T < 5 + 0 0 106 -3,-2.1 2,-1.0 1,-0.2 -3,-0.2 0.806 58.6 156.0 56.4 33.6 -10.3 3.3 14.7 73 75 A D < - 0 0 11 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.830 24.4-167.5 -89.0 103.9 -8.9 6.1 16.9 74 76 A G + 0 0 30 -2,-1.0 -1,-0.1 -30,-0.1 50,-0.1 0.158 27.4 150.0 -83.9 20.1 -5.4 6.2 15.5 75 77 A I - 0 0 5 1,-0.1 -26,-0.1 -7,-0.1 2,-0.1 -0.265 50.8-114.0 -55.3 131.1 -3.9 8.3 18.2 76 78 A P - 0 0 4 0, 0.0 -26,-2.7 0, 0.0 2,-0.4 -0.419 31.3-147.7 -67.7 145.4 -0.1 7.5 18.7 77 79 A I E -cd 50 97A 3 19,-2.0 21,-3.5 -28,-0.2 22,-0.8 -0.959 18.1-165.0-123.1 131.2 0.9 5.9 22.0 78 80 A V E -cd 51 99A 0 -28,-2.9 -26,-2.9 -2,-0.4 2,-0.3 -0.966 25.8-149.5-104.7 114.7 4.0 6.0 24.1 79 81 A F E -cd 52 100A 0 20,-2.5 22,-2.7 -2,-0.6 2,-0.3 -0.633 14.0-170.7 -83.9 143.0 3.7 3.2 26.5 80 82 A I E +cd 53 101A 0 -28,-2.7 -26,-1.4 -2,-0.3 2,-0.3 -0.970 8.1 173.1-131.1 146.9 5.3 3.6 30.0 81 83 A T E - d 0 102A 6 20,-1.6 22,-2.5 -2,-0.3 3,-0.2 -0.996 40.0-147.9-153.8 149.1 5.8 0.9 32.6 82 84 A A S S+ 0 0 62 -2,-0.3 2,-0.4 20,-0.2 3,-0.1 0.462 97.7 65.1 -88.1 -4.1 7.4 0.1 35.9 83 85 A H > + 0 0 65 1,-0.1 3,-2.1 3,-0.1 -1,-0.2 -0.618 54.5 164.6-120.9 70.9 7.8 -3.5 34.8 84 86 A G T 3 S+ 0 0 55 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.675 70.0 73.0 -60.3 -21.1 10.3 -3.5 31.9 85 87 A D T 3 S+ 0 0 123 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.711 84.0 75.5 -63.8 -25.5 10.8 -7.2 32.3 86 88 A I S < S- 0 0 94 -3,-2.1 -3,-0.1 1,-0.0 -1,-0.1 -0.826 84.0-145.0 -92.2 106.5 7.3 -7.7 30.8 87 89 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.236 16.9-103.0 -71.0 158.0 7.6 -7.1 27.1 88 90 A M - 0 0 23 1,-0.1 2,-0.2 2,-0.0 12,-0.0 -0.506 40.6-112.9 -67.5 148.5 5.0 -5.5 24.8 89 91 A T > - 0 0 75 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.484 20.9-115.4 -77.6 156.0 3.1 -7.9 22.6 90 92 A V H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 118.7 51.8 -56.6 -40.1 3.5 -7.8 18.9 91 93 A R H > S+ 0 0 204 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 106.5 52.2 -66.0 -43.1 -0.2 -6.7 18.6 92 94 A A H 4>S+ 0 0 0 2,-0.2 5,-0.5 1,-0.2 -1,-0.2 0.865 111.2 49.2 -59.1 -36.8 0.3 -3.8 21.1 93 95 A M H X5S+ 0 0 95 -4,-1.9 4,-1.3 1,-0.2 3,-0.3 0.958 109.4 49.9 -67.5 -50.2 3.3 -2.6 19.0 94 96 A K H <5S+ 0 0 175 -4,-2.3 2,-1.2 1,-0.3 -1,-0.2 0.762 94.9 76.0 -60.0 -29.7 1.4 -2.7 15.7 95 97 A A T <5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.266 129.3 -66.4 -85.5 46.6 -1.5 -0.8 17.0 96 98 A G T 45S+ 0 0 34 -2,-1.2 -19,-2.0 -3,-0.3 2,-0.3 0.542 75.2 163.4 91.8 10.2 0.2 2.6 17.0 97 99 A A E << -d 77 0A 27 -4,-1.3 -1,-0.2 -5,-0.5 -19,-0.2 -0.439 16.9-176.0 -61.2 124.0 3.0 2.3 19.6 98 100 A I E - 0 0 44 -21,-3.5 2,-0.3 1,-0.4 -20,-0.2 0.915 67.7 -25.3 -80.3 -48.7 5.6 5.0 19.2 99 101 A E E -d 78 0A 83 -22,-0.8 -20,-2.5 2,-0.0 2,-0.5 -0.966 50.4-127.4-165.0 160.8 7.9 3.6 21.9 100 102 A F E -d 79 0A 63 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.0 -0.991 36.2-178.4-122.4 117.7 7.9 1.6 25.1 101 103 A L E -d 80 0A 12 -22,-2.7 -20,-1.6 -2,-0.5 2,-0.1 -0.924 21.7-120.9-128.1 146.4 9.6 3.4 28.0 102 104 A P E -d 81 0A 73 0, 0.0 -20,-0.2 0, 0.0 4,-0.1 -0.460 33.7-100.1 -77.9 154.1 10.5 2.5 31.6 103 105 A K S S+ 0 0 39 -22,-2.5 -19,-0.2 -2,-0.1 2,-0.1 -0.975 113.3 46.2-106.2 131.0 9.4 4.4 34.7 104 106 A P S S- 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.602 97.8-165.7 -70.3 148.4 11.4 6.2 35.9 105 107 A F - 0 0 48 -2,-0.1 2,-0.5 -4,-0.1 -2,-0.1 -0.733 29.1-106.7-109.5 153.3 12.1 7.6 32.4 106 108 A E > - 0 0 133 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.675 32.4-138.8 -67.2 121.6 14.8 9.7 30.8 107 109 A E H > S+ 0 0 125 -2,-0.5 4,-2.7 1,-0.2 -1,-0.1 0.879 100.5 48.0 -51.4 -44.1 13.0 13.1 30.3 108 110 A Q H > S+ 0 0 101 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.879 108.2 52.7 -72.3 -43.3 14.5 13.6 26.8 109 111 A A H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.910 112.6 47.0 -51.7 -47.1 13.7 10.0 25.6 110 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.976 113.3 47.5 -64.2 -52.4 10.1 10.7 26.6 111 113 A L H X S+ 0 0 34 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.862 110.4 52.2 -52.9 -45.9 10.1 14.2 24.9 112 114 A D H X S+ 0 0 73 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.867 110.0 49.5 -57.5 -40.6 11.6 12.8 21.7 113 115 A A H X S+ 0 0 1 -4,-1.7 4,-2.9 -3,-0.3 -2,-0.2 0.921 111.1 48.4 -67.5 -44.5 8.9 10.1 21.6 114 116 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.865 110.6 50.8 -63.0 -37.1 6.1 12.6 22.1 115 117 A E H X S+ 0 0 121 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.922 111.7 48.6 -65.8 -45.5 7.5 14.9 19.4 116 118 A Q H X S+ 0 0 106 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.939 112.5 49.4 -57.2 -46.1 7.6 11.8 17.1 117 119 A G H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.898 107.6 52.1 -64.0 -42.8 4.0 11.1 18.1 118 120 A L H X S+ 0 0 16 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.936 110.0 49.4 -61.4 -43.5 2.7 14.6 17.5 119 121 A Q H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 111.8 48.3 -62.6 -40.3 4.2 14.6 13.9 120 122 A L H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.817 113.0 49.0 -69.1 -29.8 2.7 11.2 13.2 121 123 A N H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.927 109.7 50.3 -72.4 -46.3 -0.6 12.5 14.5 122 124 A A H X S+ 0 0 15 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.932 114.2 45.7 -53.4 -50.1 -0.5 15.6 12.4 123 125 A E H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.928 113.5 48.0 -59.3 -51.5 0.3 13.5 9.3 124 126 A R H X S+ 0 0 108 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.896 112.2 49.6 -56.8 -46.8 -2.5 11.0 10.0 125 127 A R H X S+ 0 0 33 -4,-2.8 4,-2.8 2,-0.2 3,-0.4 0.861 108.1 53.5 -62.7 -38.8 -5.1 13.7 10.7 126 128 A Q H X S+ 0 0 101 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.900 108.3 49.5 -62.5 -43.7 -4.1 15.5 7.4 127 129 A A H X S+ 0 0 59 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.646 112.9 49.7 -68.2 -16.5 -4.7 12.3 5.5 128 130 A R H X S+ 0 0 67 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.871 110.9 46.5 -85.7 -49.1 -8.1 12.0 7.3 129 131 A E H X S+ 0 0 112 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.862 112.9 51.4 -61.6 -37.9 -9.2 15.5 6.6 130 132 A T H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.952 111.6 44.7 -65.7 -52.3 -8.2 15.1 2.9 131 133 A Q H X S+ 0 0 116 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.817 115.2 50.9 -57.6 -36.6 -10.1 11.8 2.3 132 134 A D H X S+ 0 0 84 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.916 110.9 46.9 -69.6 -46.7 -13.0 13.4 4.2 133 135 A Q H X S+ 0 0 134 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.850 113.7 49.2 -61.5 -38.0 -12.9 16.5 2.0 134 136 A L H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.736 106.2 53.9 -80.6 -24.2 -12.7 14.4 -1.2 135 137 A E H X S+ 0 0 80 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.851 110.4 48.5 -73.7 -37.4 -15.6 12.1 -0.4 136 138 A Q H X S+ 0 0 140 -4,-1.4 4,-0.8 2,-0.2 -2,-0.2 0.899 113.6 46.6 -70.4 -42.9 -17.8 15.2 0.1 137 139 A L H < S+ 0 0 46 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.942 118.0 41.8 -62.7 -47.2 -16.7 16.8 -3.2 138 140 A F H >< S+ 0 0 30 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.846 110.4 56.0 -71.7 -33.7 -17.1 13.5 -5.2 139 141 A S H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.688 95.7 68.8 -69.8 -18.1 -20.4 12.6 -3.5 140 142 A S T 3< S+ 0 0 54 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.3 0.422 81.8 96.5 -81.4 1.1 -21.8 15.9 -4.6 141 143 A L S < S- 0 0 18 -3,-1.3 2,-0.1 1,-0.1 38,-0.0 -0.699 73.0-127.5 -92.9 144.3 -21.7 14.8 -8.3 142 144 A T > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.363 28.8-104.5 -80.7 165.6 -24.8 13.4 -10.0 143 145 A G H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.867 123.7 52.7 -55.6 -40.6 -24.8 10.1 -11.9 144 146 A R H > S+ 0 0 181 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 110.2 46.0 -59.7 -52.2 -24.7 12.0 -15.2 145 147 A E H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.865 109.3 56.7 -59.2 -37.4 -21.7 14.1 -14.1 146 148 A Q H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 105.9 50.4 -60.3 -43.7 -20.1 10.8 -12.9 147 149 A Q H X S+ 0 0 95 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.880 112.3 46.6 -61.2 -42.1 -20.4 9.4 -16.4 148 150 A V H >X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.5 0.942 110.8 52.3 -66.6 -47.2 -18.9 12.5 -18.0 149 151 A L H 3X S+ 0 0 10 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.915 106.4 54.2 -51.8 -50.4 -16.0 12.5 -15.4 150 152 A Q H 3< S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.7 40.5 -55.8 -35.3 -15.1 8.9 -16.2 151 153 A L H X<>S+ 0 0 33 -4,-1.1 5,-1.5 -3,-0.5 3,-1.1 0.835 111.0 57.8 -85.4 -34.2 -14.8 9.5 -19.9 152 154 A T H ><5S+ 0 0 5 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.849 102.5 53.0 -59.9 -41.9 -13.0 12.8 -19.5 153 155 A I T 3<5S+ 0 0 59 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.458 100.1 65.7 -79.9 7.0 -10.2 11.2 -17.4 154 156 A R T < 5S- 0 0 187 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.241 119.9-109.4-104.2 7.3 -9.9 8.8 -20.4 155 157 A G T < 5 + 0 0 63 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.577 64.1 156.3 76.1 12.0 -8.7 11.7 -22.6 156 158 A L < - 0 0 46 -5,-1.5 -1,-0.2 1,-0.1 2,-0.2 -0.375 40.9-123.7 -69.5 145.9 -11.9 11.9 -24.7 157 159 A M >> - 0 0 143 1,-0.1 4,-2.5 -2,-0.1 3,-0.8 -0.560 29.5-105.8 -83.4 155.1 -12.9 15.1 -26.5 158 160 A N H 3> S+ 0 0 25 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.892 122.0 55.0 -51.0 -46.8 -16.3 16.6 -25.8 159 161 A K H 3> S+ 0 0 133 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.874 111.2 44.5 -51.5 -42.7 -17.5 15.5 -29.2 160 162 A Q H <> S+ 0 0 104 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.876 111.9 51.5 -75.6 -36.3 -16.5 11.9 -28.4 161 163 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.944 108.9 52.3 -61.6 -48.0 -18.0 12.0 -24.9 162 164 A A H X>S+ 0 0 9 -4,-2.9 5,-2.2 1,-0.2 4,-1.3 0.897 111.8 45.3 -51.7 -50.5 -21.3 13.2 -26.3 163 165 A G H <5S+ 0 0 62 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.861 111.7 52.5 -64.5 -40.2 -21.5 10.4 -28.9 164 166 A E H <5S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 119.1 34.2 -63.5 -39.5 -20.5 7.7 -26.3 165 167 A L H <5S- 0 0 47 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.548 107.9-119.6 -93.8 -11.6 -23.2 8.8 -23.8 166 168 A G T <5S+ 0 0 68 -4,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.847 71.9 121.7 71.5 36.6 -25.8 9.8 -26.4 167 169 A I < - 0 0 56 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.756 68.6 -89.5-122.5 168.0 -26.1 13.4 -25.3 168 170 A A > - 0 0 58 -2,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.413 33.4-119.0 -76.1 159.9 -25.5 16.8 -27.0 169 171 A E H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 116.1 54.8 -64.9 -42.6 -22.0 18.3 -27.0 170 172 A V H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 103.9 55.7 -56.2 -41.7 -23.3 21.4 -25.2 171 173 A T H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 109.0 46.9 -56.7 -43.0 -24.7 19.0 -22.5 172 174 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.919 110.8 52.4 -63.9 -44.5 -21.2 17.6 -22.1 173 175 A K H X S+ 0 0 105 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.910 111.7 45.7 -55.5 -47.8 -19.7 21.1 -21.9 174 176 A V H X S+ 0 0 72 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.926 112.1 50.1 -66.3 -48.4 -22.1 22.1 -19.2 175 177 A H H X S+ 0 0 26 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.924 111.2 51.1 -52.8 -45.7 -21.5 18.9 -17.2 176 178 A R H X S+ 0 0 51 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.917 109.7 49.3 -59.9 -46.8 -17.8 19.5 -17.6 177 179 A H H X S+ 0 0 108 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.911 112.5 47.7 -56.0 -46.1 -18.2 23.1 -16.3 178 180 A N H X S+ 0 0 54 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.825 109.5 53.0 -67.6 -33.9 -20.2 21.9 -13.3 179 181 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.950 108.8 49.7 -64.6 -49.2 -17.7 19.1 -12.4 180 182 A M H <>S+ 0 0 47 -4,-2.2 5,-2.1 1,-0.2 4,-0.4 0.913 114.7 44.6 -54.4 -48.6 -14.8 21.6 -12.4 181 183 A Q H ><5S+ 0 0 128 -4,-2.0 3,-0.7 3,-0.2 -1,-0.2 0.912 114.6 47.3 -65.4 -45.4 -16.8 24.0 -10.1 182 184 A K H 3<5S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 119.0 39.9 -61.0 -44.5 -18.1 21.2 -7.7 183 185 A L T 3<5S- 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.401 107.5-128.0 -88.1 2.1 -14.6 19.6 -7.4 184 186 A N T < 5 + 0 0 134 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.898 60.7 134.5 47.4 54.1 -12.9 23.0 -7.2 185 187 A V < - 0 0 17 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.977 41.8-164.1-128.4 146.3 -10.3 22.4 -10.0 186 188 A R S S+ 0 0 243 -2,-0.3 2,-0.3 1,-0.0 3,-0.1 0.387 70.1 43.2-110.7 2.0 -9.4 24.7 -12.9 187 189 A S S > S- 0 0 41 1,-0.1 4,-2.2 -7,-0.1 5,-0.1 -0.976 75.1-120.8-146.7 157.7 -7.6 22.3 -15.2 188 190 A L H > S+ 0 0 80 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.865 114.0 59.3 -66.3 -35.6 -7.9 18.8 -16.6 189 191 A A H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 109.0 41.8 -53.6 -55.5 -4.5 18.0 -15.0 190 192 A N H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.854 111.2 56.7 -68.1 -33.1 -5.7 18.8 -11.6 191 193 A L H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.918 110.3 45.1 -55.1 -47.8 -9.1 17.0 -12.2 192 194 A V H X S+ 0 0 45 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.869 111.4 52.4 -68.6 -37.6 -7.1 13.9 -13.1 193 195 A H H X S+ 0 0 115 -4,-2.0 4,-3.5 2,-0.2 -2,-0.2 0.949 110.4 49.2 -58.1 -50.1 -4.8 14.3 -10.0 194 196 A L H X S+ 0 0 22 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.879 109.9 48.9 -58.7 -46.5 -7.9 14.6 -7.8 195 197 A V H < S+ 0 0 35 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.906 116.2 44.1 -63.6 -42.0 -9.6 11.5 -9.1 196 198 A E H < S+ 0 0 155 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.904 110.8 54.8 -67.3 -43.3 -6.4 9.5 -8.7 197 199 A K H < 0 0 148 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.952 360.0 360.0 -49.7 -56.6 -5.8 11.0 -5.2 198 200 A Y < 0 0 129 -4,-2.7 -3,-0.1 -5,-0.1 -2,-0.1 0.806 360.0 360.0 -69.8 360.0 -9.3 9.9 -4.2