==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 11-MAY-05 1ZN2 . 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) . 11935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 74.2 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 . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.5 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 2 0 2 0 0 2 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 0 107 0, 0.0 45,-0.0 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0-119.6 -8.2 11.1 17.4 2 4 A K - 0 0 143 1,-0.1 2,-0.8 44,-0.0 25,-0.1 0.041 360.0 -94.8 -64.9 173.2 -5.1 11.7 19.7 3 5 A P + 0 0 56 0, 0.0 25,-1.1 0, 0.0 2,-0.3 -0.844 50.1 174.5 -99.9 106.3 -2.4 9.2 20.6 4 6 A T E -ab 28 48A 19 43,-1.6 45,-1.3 -2,-0.8 2,-0.5 -0.823 25.7-147.5-105.5 146.5 -3.2 7.5 24.0 5 7 A V E -ab 29 49A 0 23,-1.5 25,-2.0 -2,-0.3 2,-0.9 -0.948 16.0-149.5-105.4 124.4 -1.4 4.6 25.7 6 8 A F E -ab 30 50A 0 43,-3.1 45,-1.9 -2,-0.5 2,-0.6 -0.833 9.1-158.1 -99.1 102.8 -3.9 2.5 27.6 7 9 A V E -ab 31 51A 0 23,-1.2 25,-2.4 -2,-0.9 2,-0.5 -0.714 10.7-176.8 -81.3 121.5 -2.1 1.0 30.7 8 10 A V E +ab 32 52A 0 43,-3.4 45,-2.0 -2,-0.6 2,-0.4 -0.762 29.6 129.5-118.1 84.6 -3.9 -2.1 32.0 9 11 A D - 0 0 0 23,-0.9 6,-0.1 -2,-0.5 47,-0.1 -0.988 53.2-142.5-131.7 144.7 -2.1 -3.2 35.1 10 12 A D S S+ 0 0 63 -2,-0.4 2,-0.3 45,-0.3 -1,-0.1 0.772 76.8 95.3 -74.0 -24.3 -3.6 -4.1 38.4 11 13 A D > - 0 0 64 1,-0.1 4,-2.5 -3,-0.1 3,-0.3 -0.488 63.5-154.5 -75.5 128.6 -0.7 -2.6 40.3 12 14 A M H >>S+ 0 0 124 -2,-0.3 4,-1.7 2,-0.2 5,-0.7 0.870 97.3 65.1 -62.2 -38.3 -0.8 1.0 41.5 13 15 A S H >5S+ 0 0 92 1,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.882 114.4 34.4 -46.0 -39.3 3.1 1.1 41.3 14 16 A V H >>S+ 0 0 12 -3,-0.3 4,-3.5 3,-0.2 5,-0.5 0.952 113.8 50.4 -85.7 -57.9 2.5 0.7 37.6 15 17 A R H X5S+ 0 0 45 -4,-2.5 4,-1.1 1,-0.2 -3,-0.2 0.816 121.8 35.2 -56.6 -40.1 -0.7 2.6 36.6 16 18 A E H X5S+ 0 0 88 -4,-1.7 4,-3.2 -5,-0.2 -1,-0.2 0.941 119.8 49.2 -73.7 -56.1 0.4 5.8 38.3 17 19 A G H X<>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.7 0.841 111.7 51.3 -58.8 -36.6 4.4 8.5 29.6 23 25 A R H ><5S+ 0 0 128 -4,-1.3 3,-1.1 -5,-0.4 2,-0.7 0.871 101.6 60.5 -68.1 -37.8 2.8 11.9 30.3 24 26 A S T 3<5S+ 0 0 102 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 -0.131 107.6 52.8 -74.7 37.1 6.3 13.2 30.9 25 27 A A T < 5S- 0 0 38 -3,-0.7 -1,-0.3 -2,-0.7 -2,-0.1 0.040 124.9 -89.3-166.4 34.2 6.7 12.1 27.3 26 28 A G T < 5S+ 0 0 75 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.198 86.9 120.7 80.1 -17.0 3.9 13.7 25.2 27 29 A F < - 0 0 25 -5,-1.8 -2,-0.2 -25,-0.1 -1,-0.2 -0.623 58.8-134.7 -91.1 139.4 1.3 10.9 25.6 28 30 A E E -a 4 0A 63 -25,-1.1 -23,-1.5 -2,-0.3 2,-0.4 -0.422 30.5-148.0 -66.5 159.5 -2.2 11.0 27.1 29 31 A V E -a 5 0A 19 -25,-0.2 2,-0.5 -2,-0.1 -23,-0.2 -0.983 17.2-168.3-139.9 127.0 -2.7 8.0 29.4 30 32 A E E -a 6 0A 85 -25,-2.0 -23,-1.2 -2,-0.4 2,-0.4 -0.967 17.1-159.4-116.4 125.4 -5.7 6.0 30.2 31 33 A T E +a 7 0A 51 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.797 15.4 173.7-110.8 136.2 -5.4 3.7 33.1 32 34 A F E -a 8 0A 18 -25,-2.4 -23,-0.9 -2,-0.4 3,-0.1 -0.998 22.5-156.5-135.5 139.4 -7.4 0.6 34.1 33 35 A D S S+ 0 0 86 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.235 83.1 37.5-101.0 14.1 -6.8 -1.9 36.9 34 36 A C S > S- 0 0 26 -25,-0.1 4,-1.6 22,-0.1 -1,-0.1 -0.945 76.2-126.3-155.3 150.1 -8.7 -4.7 35.2 35 37 A A H > S+ 0 0 1 24,-0.4 4,-2.9 22,-0.4 5,-0.1 0.825 105.2 55.9 -56.7 -40.1 -9.2 -5.9 31.6 36 38 A S H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 102.8 52.6 -73.5 -43.1 -13.0 -5.8 31.7 37 39 A T H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.972 111.8 51.0 -45.7 -53.6 -13.3 -2.2 32.6 38 40 A F H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.939 105.9 52.1 -50.8 -59.6 -11.0 -1.7 29.6 39 41 A L H < S+ 0 0 43 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.855 110.9 50.1 -45.0 -42.3 -13.1 -3.7 27.3 40 42 A E H < S+ 0 0 132 -4,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.977 117.5 36.3 -62.7 -55.7 -16.1 -1.6 28.3 41 43 A H H < S+ 0 0 109 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.411 90.7 115.9 -83.1 1.1 -14.4 1.9 27.8 42 44 A R < - 0 0 6 -4,-1.6 3,-0.1 -3,-0.3 -3,-0.0 -0.555 47.6-165.4 -69.8 131.7 -12.5 0.8 24.7 43 45 A R > - 0 0 113 -2,-0.3 3,-1.4 3,-0.1 -2,-0.1 -0.935 9.4-154.8-118.5 101.7 -13.5 2.6 21.6 44 46 A P T 3 S+ 0 0 63 0, 0.0 30,-0.2 0, 0.0 2,-0.1 0.789 91.3 64.0 -50.8 -32.1 -11.9 0.6 18.7 45 47 A E T 3 S+ 0 0 122 -3,-0.1 2,-0.5 2,-0.1 -3,-0.0 0.034 83.2 97.9 -81.3 28.0 -11.9 3.7 16.6 46 48 A Q S < S- 0 0 72 -3,-1.4 -3,-0.1 -2,-0.1 -1,-0.0 -0.929 74.3-124.0-127.8 110.1 -9.4 5.5 18.9 47 49 A H + 0 0 18 -2,-0.5 -43,-1.6 -44,-0.0 2,-0.3 -0.082 55.3 82.9 -57.9 139.5 -5.7 5.5 18.0 48 50 A G E -b 4 0A 0 -45,-0.2 2,-0.3 69,-0.1 -43,-0.2 -0.892 64.0 -75.1 155.2 175.5 -3.1 4.2 20.5 49 51 A C E -b 5 0A 0 -45,-1.3 -43,-3.1 -2,-0.3 2,-0.6 -0.756 28.7-141.5-102.7 150.2 -1.0 1.5 22.2 50 52 A L E -bc 6 77A 0 26,-1.7 28,-2.7 -2,-0.3 2,-0.6 -0.968 9.4-164.6-113.6 116.0 -2.1 -0.9 24.8 51 53 A V E -bc 7 78A 0 -45,-1.9 -43,-3.4 -2,-0.6 2,-0.5 -0.926 23.2-173.9 -98.9 116.4 0.4 -1.6 27.6 52 54 A L E -bc 8 79A 0 26,-1.9 28,-2.2 -2,-0.6 -43,-0.2 -0.934 26.3-143.3-133.4 119.5 -0.8 -4.8 29.3 53 55 A D E - c 0 80A 6 -45,-2.0 28,-0.2 -2,-0.5 3,-0.1 -0.210 17.4-143.3 -59.2 160.2 0.1 -6.8 32.3 54 56 A M S S+ 0 0 36 26,-0.9 7,-2.8 1,-0.2 2,-0.6 0.801 82.8 53.9-101.7 -37.1 -0.2 -10.6 31.9 55 57 A R S S+ 0 0 133 5,-0.2 -45,-0.3 6,-0.1 -1,-0.2 -0.912 71.2 144.4-104.8 121.8 -1.5 -11.7 35.3 56 58 A M - 0 0 18 -2,-0.6 -22,-0.1 2,-0.2 -23,-0.0 -0.991 57.2 -84.0-152.8 147.8 -4.5 -9.9 36.5 57 59 A P S S- 0 0 92 0, 0.0 2,-0.5 0, 0.0 -22,-0.4 -0.348 103.7 -8.7 -55.9 134.0 -7.6 -10.6 38.5 58 60 A G S S+ 0 0 72 -24,-0.1 2,-0.5 -23,-0.1 -2,-0.2 -0.673 130.4 33.1 85.6-125.5 -10.2 -12.0 36.1 59 61 A M S S- 0 0 56 -2,-0.5 -24,-0.4 4,-0.1 -23,-0.1 -0.590 83.0-138.6 -69.4 120.5 -9.3 -11.9 32.5 60 62 A S > - 0 0 29 -2,-0.5 4,-2.4 -5,-0.1 -5,-0.2 -0.085 29.0 -97.0 -66.0 174.9 -5.6 -12.3 32.1 61 63 A G H > S+ 0 0 0 -7,-2.8 4,-2.5 1,-0.2 5,-0.2 0.961 128.0 47.9 -59.6 -49.2 -3.5 -10.3 29.6 62 64 A I H > S+ 0 0 37 -8,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.902 110.5 50.3 -56.3 -45.4 -3.7 -13.1 27.2 63 65 A E H > S+ 0 0 85 -9,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.893 109.8 51.0 -67.7 -36.1 -7.5 -13.6 27.6 64 66 A L H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.7 0.940 108.0 52.8 -63.6 -46.9 -8.1 -9.9 27.1 65 67 A Q H 3X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 102.7 59.1 -51.7 -45.0 -6.0 -10.1 23.9 66 68 A E H 3X S+ 0 0 69 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.836 107.5 46.5 -57.4 -34.0 -8.3 -13.0 22.8 67 69 A Q H S+ 0 0 4 -4,-2.3 5,-1.6 1,-0.2 -2,-0.2 0.890 113.9 46.9 -49.3 -40.5 -9.7 -7.8 21.2 69 71 A T H ><5S+ 0 0 69 -4,-2.5 3,-2.5 -5,-0.2 -1,-0.2 0.974 108.4 54.9 -61.2 -54.2 -8.9 -10.3 18.5 70 72 A A H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.794 113.0 41.5 -53.0 -33.9 -12.4 -11.8 18.5 71 73 A I T 3<5S- 0 0 102 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.125 114.4-116.5-102.7 19.6 -14.0 -8.3 17.9 72 74 A S T < 5 + 0 0 103 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.555 62.2 151.1 56.6 15.1 -11.3 -7.4 15.3 73 75 A D < - 0 0 13 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.630 28.1-166.3 -67.0 130.6 -9.9 -4.5 17.4 74 76 A G + 0 0 23 -2,-0.3 -1,-0.1 -30,-0.2 3,-0.1 0.144 24.7 154.8-113.6 17.7 -6.3 -4.4 16.4 75 77 A I - 0 0 7 1,-0.1 -26,-0.1 -7,-0.1 2,-0.0 -0.249 52.7-115.5 -45.3 117.7 -4.9 -2.2 19.1 76 78 A P - 0 0 3 0, 0.0 -26,-1.7 0, 0.0 2,-0.5 -0.398 31.3-137.4 -59.1 140.0 -1.2 -3.3 19.1 77 79 A I E -cd 50 97A 4 19,-2.1 21,-3.4 -28,-0.1 22,-0.8 -0.885 20.8-171.3-109.5 132.2 -0.2 -4.9 22.4 78 80 A V E -cd 51 99A 0 -28,-2.7 -26,-1.9 -2,-0.5 22,-0.2 -0.944 24.8-157.2-112.8 103.7 3.0 -4.4 24.3 79 81 A F E -cd 52 100A 0 20,-1.6 22,-1.8 -2,-0.6 2,-0.4 -0.384 6.5-151.8 -80.9 158.8 2.7 -7.0 27.1 80 82 A I E -cd 53 101A 0 -28,-2.2 -26,-0.9 20,-0.2 2,-0.2 -0.966 12.9-160.4-135.3 120.5 4.6 -6.8 30.4 81 83 A T E - d 0 102A 24 20,-2.1 22,-1.2 -2,-0.4 3,-0.1 -0.551 18.5-170.9 -97.6 159.1 5.6 -10.0 32.2 82 84 A A + 0 0 52 20,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.639 64.5 52.9-111.0 -26.4 6.5 -10.5 35.9 83 85 A H - 0 0 77 3,-0.1 3,-0.3 1,-0.1 -1,-0.1 -0.761 53.3-149.5-126.8 158.1 7.7 -14.2 35.9 84 86 A G S S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.786 89.4 76.0 -87.6 -35.0 10.1 -16.8 34.3 85 87 A D S S+ 0 0 132 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.401 93.3 59.8 -65.8 4.4 7.8 -19.9 34.9 86 88 A I - 0 0 93 -3,-0.3 2,-0.4 0, 0.0 -3,-0.1 -0.966 63.7-163.9-135.9 118.0 5.5 -18.8 31.9 87 89 A P - 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.864 29.7-114.1 -92.5 136.1 6.5 -18.3 28.2 88 90 A M - 0 0 56 -2,-0.4 2,-0.1 1,-0.1 12,-0.0 -0.149 38.1-108.0 -56.1 160.3 4.1 -16.4 26.0 89 91 A T > - 0 0 65 1,-0.1 4,-1.6 0, 0.0 -1,-0.1 -0.264 11.4-119.6 -89.8 172.2 2.4 -18.4 23.2 90 92 A V H > S+ 0 0 105 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.807 121.6 50.0 -73.9 -35.6 2.8 -18.5 19.4 91 93 A R H > S+ 0 0 161 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.899 111.2 48.4 -67.9 -39.2 -0.8 -17.4 19.2 92 94 A A H 4>S+ 0 0 1 2,-0.2 5,-0.6 1,-0.2 -2,-0.2 0.878 114.7 45.2 -67.2 -39.7 -0.1 -14.6 21.7 93 95 A M H X5S+ 0 0 105 -4,-1.6 4,-0.7 1,-0.2 3,-0.2 0.887 117.6 43.9 -69.1 -39.2 2.9 -13.6 19.7 94 96 A K H <5S+ 0 0 174 -4,-2.6 2,-2.3 1,-0.2 -2,-0.2 0.808 94.9 81.8 -72.5 -29.6 0.8 -13.8 16.4 95 97 A A T <5S- 0 0 22 -4,-2.5 -1,-0.2 1,-0.2 -18,-0.1 -0.170 126.1 -81.1 -75.2 44.5 -2.1 -12.0 18.1 96 98 A G T 45S+ 0 0 22 -2,-2.3 -19,-2.1 -3,-0.2 2,-0.3 0.717 72.1 164.5 68.8 27.7 -0.4 -8.7 17.4 97 99 A A E << -d 77 0A 21 -4,-0.7 -1,-0.2 -5,-0.6 -19,-0.2 -0.633 19.1-169.9 -74.6 131.5 2.1 -8.5 20.2 98 100 A I E - 0 0 46 -21,-3.4 2,-0.3 1,-0.4 -20,-0.2 0.837 64.6 -22.0 -85.6 -41.4 4.7 -5.8 19.5 99 101 A E E -d 78 0A 73 -22,-0.8 -20,-1.6 2,-0.0 2,-0.5 -0.988 50.4-129.3-166.1 155.2 7.0 -6.7 22.4 100 102 A F E -d 79 0A 42 -2,-0.3 -20,-0.2 -22,-0.2 -22,-0.0 -0.986 24.9-172.4-118.2 122.8 7.3 -8.4 25.8 101 103 A L E -d 80 0A 7 -22,-1.8 -20,-2.1 -2,-0.5 4,-0.1 -0.938 18.4-130.8-114.5 135.2 9.0 -6.5 28.6 102 104 A P E -d 81 0A 78 0, 0.0 -20,-0.2 0, 0.0 4,-0.1 -0.378 40.0 -79.4 -79.6 160.6 9.8 -8.0 32.0 103 105 A K S S+ 0 0 49 -22,-1.2 2,-0.1 1,-0.1 3,-0.0 -0.886 118.0 27.1-105.1 139.8 8.9 -6.3 35.3 104 106 A P S S- 0 0 128 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.817 99.1-160.8 -73.1 163.8 10.5 -4.1 36.3 105 107 A F - 0 0 34 -2,-0.1 2,-1.1 -4,-0.1 -2,-0.1 -0.682 31.5 -95.6-119.7 151.6 11.7 -2.9 32.9 106 108 A E >> - 0 0 144 -2,-0.2 3,-3.4 1,-0.2 4,-1.2 -0.565 40.8-142.0 -64.5 99.1 14.4 -0.9 31.2 107 109 A E H 3> S+ 0 0 113 -2,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.653 98.8 58.6 -42.9 -23.6 12.3 2.4 31.0 108 110 A Q H 3> S+ 0 0 102 2,-0.2 4,-2.6 3,-0.2 -1,-0.3 0.787 103.4 50.0 -76.5 -31.3 13.9 3.0 27.6 109 111 A A H <> S+ 0 0 22 -3,-3.4 4,-3.5 2,-0.2 -2,-0.2 0.851 109.6 50.2 -77.9 -37.8 12.7 -0.3 26.1 110 112 A L H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.992 114.3 45.9 -55.8 -60.4 9.1 0.3 27.3 111 113 A L H X S+ 0 0 29 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.879 113.0 50.1 -46.3 -49.3 9.5 3.7 25.6 112 114 A D H X S+ 0 0 83 -4,-2.6 4,-2.2 1,-0.2 3,-0.4 0.974 114.2 45.6 -50.6 -60.7 11.0 2.0 22.5 113 115 A A H X S+ 0 0 0 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.851 108.2 53.7 -52.2 -47.9 8.1 -0.5 22.4 114 116 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.874 111.3 47.5 -65.9 -33.2 5.2 2.0 22.9 115 117 A E H X S+ 0 0 109 -4,-1.6 4,-3.3 -3,-0.4 5,-0.3 0.985 110.0 50.2 -65.0 -58.7 6.5 4.1 19.9 116 118 A Q H X S+ 0 0 114 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.771 113.8 49.3 -48.0 -30.1 6.9 1.1 17.6 117 119 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.3 0.897 110.7 47.1 -79.2 -43.5 3.4 0.2 18.7 118 120 A L H X S+ 0 0 17 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.940 110.1 53.6 -63.9 -45.8 2.0 3.7 18.0 119 121 A Q H X S+ 0 0 104 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.924 112.3 44.7 -52.5 -50.0 3.7 3.8 14.6 120 122 A L H X S+ 0 0 53 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.804 110.7 53.2 -66.8 -33.6 2.1 0.5 13.6 121 123 A N H X S+ 0 0 12 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.920 109.6 48.3 -69.8 -42.0 -1.3 1.5 14.9 122 124 A A H X S+ 0 0 21 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.761 114.2 47.8 -65.8 -28.6 -1.3 4.7 12.9 123 125 A E H X S+ 0 0 86 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.920 112.5 45.6 -77.0 -48.4 -0.2 2.7 9.8 124 126 A R H < S+ 0 0 110 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.784 116.0 51.7 -63.4 -26.6 -2.8 -0.1 10.2 125 127 A R H >X S+ 0 0 58 -4,-1.7 4,-1.4 -5,-0.2 3,-1.1 0.890 108.2 46.5 -75.2 -48.5 -5.3 2.8 10.8 126 128 A Q H >X S+ 0 0 126 -4,-1.9 4,-2.5 1,-0.3 3,-0.6 0.949 107.1 60.0 -57.1 -48.0 -4.4 4.9 7.6 127 129 A A H 3< S+ 0 0 44 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.092 110.2 42.6 -72.5 24.8 -4.6 1.8 5.5 128 130 A R H <4 S+ 0 0 124 -3,-1.1 4,-0.5 -2,-0.5 -1,-0.2 0.456 114.2 45.2-138.0 -30.5 -8.2 1.3 6.5 129 131 A E H > S+ 0 0 94 -4,-0.5 3,-1.8 2,-0.2 4,-1.1 0.931 108.7 44.1 -75.1 -49.6 -12.6 2.7 3.0 133 135 A Q H 3X S+ 0 0 115 -4,-1.2 4,-2.2 1,-0.3 -2,-0.2 0.770 106.5 62.5 -68.6 -25.4 -13.0 6.1 1.3 134 136 A L H 3< S+ 0 0 17 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.372 110.2 40.6 -75.0 1.6 -11.6 4.4 -1.9 135 137 A E H <> S+ 0 0 111 -3,-1.8 4,-0.5 -5,-0.2 -2,-0.2 0.407 107.3 59.8-128.6 -14.3 -14.8 2.2 -1.7 136 138 A Q H X S+ 0 0 124 -4,-1.1 4,-1.3 2,-0.2 3,-0.3 0.894 108.9 47.3 -66.5 -50.0 -17.1 5.0 -0.6 137 139 A L H < S+ 0 0 58 -4,-2.2 3,-0.4 1,-0.2 4,-0.2 0.911 113.0 46.7 -56.7 -47.2 -16.1 6.6 -3.9 138 140 A F H >4 S+ 0 0 53 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.731 104.9 63.2 -69.7 -23.6 -16.7 3.4 -5.9 139 141 A S H 3< S+ 0 0 94 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.873 91.2 65.1 -64.1 -39.1 -20.0 2.9 -4.1 140 142 A S T 3< S+ 0 0 59 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.556 82.0 100.5 -67.3 -8.4 -21.4 6.1 -5.6 141 143 A L < - 0 0 20 -3,-0.8 2,-0.1 -4,-0.2 -3,-0.0 -0.489 68.9-136.9 -73.9 147.1 -21.2 4.6 -9.1 142 144 A T > - 0 0 63 -2,-0.1 4,-1.5 1,-0.0 -1,-0.1 -0.249 28.6-100.4 -87.7-172.6 -24.4 3.2 -10.6 143 145 A G H > S+ 0 0 52 2,-0.2 4,-0.6 1,-0.2 -2,-0.0 0.723 121.8 49.4 -84.3 -25.7 -24.5 -0.1 -12.4 144 146 A R H > S+ 0 0 186 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.830 112.3 49.7 -79.8 -35.3 -24.4 1.3 -15.9 145 147 A E H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.912 105.2 57.5 -64.7 -45.3 -21.5 3.5 -14.9 146 148 A Q H X S+ 0 0 97 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.735 106.2 49.7 -61.6 -26.2 -19.7 0.4 -13.5 147 149 A Q H < S+ 0 0 108 -4,-0.6 -1,-0.3 2,-0.2 4,-0.2 0.811 109.6 51.8 -77.9 -32.0 -19.9 -1.3 -16.9 148 150 A V H X S+ 0 0 0 -4,-1.2 4,-1.0 -3,-0.3 -2,-0.2 0.773 112.1 46.4 -77.4 -24.6 -18.5 1.9 -18.5 149 151 A L H >X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 3,-1.6 0.976 108.7 52.9 -69.8 -66.1 -15.5 1.9 -16.1 150 152 A Q H 3< S+ 0 0 86 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.512 115.2 44.5 -50.3 -5.0 -14.8 -1.8 -16.5 151 153 A L H 34>S+ 0 0 22 -4,-0.2 5,-1.4 -3,-0.1 -1,-0.3 0.689 111.9 49.3-107.7 -29.6 -14.7 -1.2 -20.3 152 154 A T H X<5S+ 0 0 9 -3,-1.6 3,-3.3 -4,-1.0 -2,-0.2 0.957 106.5 52.4 -74.8 -54.9 -12.6 2.0 -20.4 153 155 A I T 3<5S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.586 102.5 65.4 -57.6 -9.9 -9.8 0.9 -18.1 154 156 A R T 3 5S- 0 0 161 -5,-0.4 -1,-0.3 -3,-0.0 -2,-0.2 0.388 123.8-102.7 -93.6 -1.3 -9.6 -2.0 -20.6 155 157 A G T < 5 + 0 0 66 -3,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.328 69.8 143.8 106.3 -4.8 -8.6 0.4 -23.4 156 158 A L < - 0 0 56 -5,-1.4 2,-0.3 1,-0.1 -1,-0.2 -0.158 42.5-126.2 -70.9 161.3 -11.7 0.9 -25.4 157 159 A M > - 0 0 135 1,-0.1 4,-2.2 0, 0.0 5,-0.3 -0.711 31.0 -97.6-107.1 158.2 -12.7 4.1 -27.1 158 160 A N H > S+ 0 0 34 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 0.888 121.3 45.0 -41.3 -60.0 -16.0 6.0 -26.8 159 161 A K H > S+ 0 0 134 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 112.6 49.7 -53.6 -46.9 -17.6 4.6 -30.0 160 162 A Q H 4 S+ 0 0 99 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 108.8 52.4 -65.7 -35.7 -16.5 1.0 -29.4 161 163 A I H >< S+ 0 0 0 -4,-2.2 3,-0.9 -3,-0.4 4,-0.5 0.896 112.8 46.7 -63.4 -44.6 -17.9 1.0 -25.8 162 164 A A H >X S+ 0 0 7 -4,-2.1 3,-4.1 -5,-0.3 2,-3.2 0.999 110.1 49.8 -54.1 -74.7 -21.2 2.3 -27.2 163 165 A G T 3< S+ 0 0 73 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.150 115.3 50.4 -56.1 28.3 -21.2 -0.3 -30.0 164 166 A E T <4 S+ 0 0 124 -2,-3.2 -1,-0.3 -3,-0.9 -2,-0.2 0.349 119.9 29.2-139.9 -14.3 -20.5 -2.7 -27.1 165 167 A L T <4 S- 0 0 51 -3,-4.1 -2,-0.2 -4,-0.5 -3,-0.2 0.355 104.3-119.8-123.6 -4.0 -23.3 -1.6 -24.7 166 168 A G < + 0 0 71 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.984 69.3 127.0 53.0 62.9 -25.8 -0.5 -27.4 167 169 A I - 0 0 63 -5,-0.3 -1,-0.2 -6,-0.0 2,-0.2 -0.891 68.2 -82.2-133.7 169.2 -26.0 3.1 -26.2 168 170 A A >> - 0 0 54 -2,-0.3 4,-1.5 1,-0.1 3,-0.8 -0.511 33.9-128.8 -67.2 138.5 -25.5 6.5 -27.7 169 171 A E H >> S+ 0 0 76 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.953 113.6 57.0 -51.5 -48.6 -21.9 7.6 -27.9 170 172 A V H 3> S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.815 98.8 59.7 -51.5 -32.9 -23.0 10.8 -26.2 171 173 A T H <> S+ 0 0 50 -3,-0.8 4,-3.0 2,-0.2 -1,-0.2 0.951 105.7 49.2 -60.5 -44.2 -24.4 8.6 -23.3 172 174 A V H X S+ 0 0 30 -4,-3.0 4,-2.6 2,-0.2 3,-1.1 0.975 115.9 40.9 -53.7 -58.3 -21.1 8.3 -18.2 176 178 A R H 3X S+ 0 0 48 -4,-3.2 4,-2.2 1,-0.3 5,-0.3 0.967 111.5 56.5 -53.5 -53.1 -17.4 8.7 -18.3 177 179 A H H 3X S+ 0 0 124 -4,-2.6 4,-0.7 -5,-0.4 -1,-0.3 0.755 111.7 45.4 -53.9 -21.4 -17.7 12.4 -17.4 178 180 A N H S+ 0 0 40 -4,-2.2 5,-1.2 1,-0.2 -1,-0.2 0.867 112.6 45.2 -46.1 -42.8 -14.4 10.9 -13.3 181 183 A Q H ><5S+ 0 0 140 -4,-0.7 3,-0.9 -3,-0.3 -1,-0.2 0.916 113.5 46.3 -73.6 -45.6 -16.4 13.2 -11.0 182 184 A K H 3<5S+ 0 0 59 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.975 118.1 44.0 -56.7 -53.3 -17.6 10.6 -8.6 183 185 A L T 3<5S- 0 0 2 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.374 105.3-130.3 -76.3 3.5 -14.1 9.1 -8.3 184 186 A N T < 5 + 0 0 122 -3,-0.9 2,-0.2 -5,-0.3 -3,-0.2 0.651 61.7 134.7 54.6 19.0 -12.4 12.6 -8.1 185 187 A V < - 0 0 9 -5,-1.2 -1,-0.2 -6,-0.2 3,-0.1 -0.593 37.4-174.0 -90.1 158.1 -9.9 11.7 -10.8 186 188 A R + 0 0 227 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.242 66.9 55.2-134.5 9.7 -9.0 14.1 -13.7 187 189 A S S >> S- 0 0 42 1,-0.1 4,-2.0 -7,-0.1 3,-0.6 -0.981 75.1-129.0-149.6 135.0 -6.8 11.9 -15.8 188 190 A L H 3> S+ 0 0 88 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.871 110.5 63.9 -47.1 -39.1 -7.2 8.5 -17.4 189 191 A A H 3> S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.941 105.1 42.8 -49.1 -57.9 -3.9 7.6 -15.7 190 192 A N H X> S+ 0 0 69 -3,-0.6 3,-2.8 1,-0.2 4,-1.6 0.961 107.1 61.2 -53.1 -56.6 -5.4 8.0 -12.3 191 193 A L H 3X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.848 106.4 46.1 -37.7 -51.4 -8.6 6.2 -13.2 192 194 A V H 3< S+ 0 0 45 -4,-2.1 4,-0.3 -3,-0.2 -1,-0.3 0.593 112.6 52.1 -76.3 -12.4 -6.6 3.0 -13.9 193 195 A H H XX S+ 0 0 119 -3,-2.8 4,-4.2 -4,-0.8 3,-0.7 0.940 112.5 41.7 -78.2 -66.5 -4.6 3.5 -10.6 194 196 A L H 3< S+ 0 0 30 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.937 116.9 50.1 -36.9 -62.2 -7.7 3.8 -8.3 195 197 A V T 3< S+ 0 0 31 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.766 115.7 42.7 -55.2 -30.7 -9.4 1.0 -10.2 196 198 A E T <4 S+ 0 0 140 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.902 106.6 57.3 -81.9 -45.2 -6.3 -1.2 -9.9 197 199 A K < 0 0 111 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.151 360.0 360.0 -68.0 25.1 -5.7 -0.2 -6.2 198 200 A Y 0 0 203 -3,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 0.147 360.0 360.0 26.8 360.0 -9.2 -1.7 -6.2