==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 24-OCT-03 1R8I . COMPND 2 MOLECULE: TRAC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.-J.YEO,Q.YUAN,M.R.BECK,C.BARON,G.WAKSMAN . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 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 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 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 32 A T 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.8 33.3 43.6 38.2 2 33 A E + 0 0 66 3,-0.1 4,-0.2 2,-0.0 5,-0.0 0.076 360.0 96.7-148.2 20.9 31.1 45.5 35.7 3 34 A L S > S+ 0 0 91 2,-0.2 4,-0.7 1,-0.1 3,-0.2 0.921 104.1 22.0 -78.5 -49.4 32.0 43.9 32.4 4 35 A I T 4 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.595 115.8 71.2 -90.5 -15.9 29.1 41.5 32.4 5 36 A K T > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.631 95.8 53.7 -74.3 -13.6 27.3 43.8 34.8 6 37 A Q H > S+ 0 0 34 -3,-0.2 4,-2.8 -4,-0.2 5,-0.2 0.896 99.0 57.8 -84.8 -47.1 26.9 46.2 31.9 7 38 A G H X S+ 0 0 45 -4,-0.7 4,-1.5 1,-0.2 -2,-0.2 0.675 106.7 57.8 -55.8 -13.8 25.3 43.6 29.6 8 39 A E H > S+ 0 0 116 -4,-0.4 4,-2.6 2,-0.2 3,-0.4 0.971 106.5 39.9 -77.9 -69.0 22.8 43.5 32.5 9 40 A Q H X S+ 0 0 90 -4,-1.4 4,-1.2 1,-0.3 -2,-0.2 0.803 115.6 58.7 -50.3 -30.4 21.7 47.2 32.6 10 41 A L H >X S+ 0 0 5 -4,-2.8 4,-1.8 2,-0.2 3,-0.6 0.962 106.6 42.5 -66.9 -52.3 21.8 46.9 28.8 11 42 A E H 3X S+ 0 0 85 -4,-1.5 4,-1.7 -3,-0.4 5,-0.2 0.900 107.5 62.3 -60.9 -39.3 19.2 44.1 28.6 12 43 A Q H 3X S+ 0 0 101 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.875 104.7 50.3 -51.4 -37.9 17.2 45.9 31.3 13 44 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 3,-1.0 0.992 111.2 41.7 -59.0 -67.9 11.7 49.4 25.4 18 49 A E H 3< S+ 0 0 106 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 117.1 52.3 -50.9 -28.9 9.4 46.5 24.5 19 50 A Q H 3X S+ 0 0 133 -4,-2.8 4,-1.2 2,-0.2 3,-0.3 0.845 110.7 45.3 -76.1 -37.4 7.5 47.4 27.7 20 51 A L H S+ 0 0 67 -5,-0.4 4,-1.7 -3,-0.3 -2,-0.2 0.923 103.5 43.7 -85.4 -49.5 3.4 48.5 25.2 23 54 A Q H >X S+ 0 0 66 -4,-1.2 4,-2.9 1,-0.2 3,-0.6 0.968 112.7 56.0 -58.4 -50.0 1.8 51.3 27.2 24 55 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.3 5,-0.3 0.891 103.2 54.1 -47.0 -45.8 2.0 53.5 24.1 25 56 A E H 3X S+ 0 0 78 -4,-0.9 4,-2.3 -5,-0.3 -1,-0.3 0.909 112.6 44.4 -56.8 -42.5 -0.1 50.8 22.3 26 57 A T H X S+ 0 0 61 -4,-3.7 4,-1.6 1,-0.2 3,-0.6 0.941 110.7 51.7 -49.3 -55.1 -7.5 54.2 24.5 31 62 A Y H 3X S+ 0 0 3 -4,-3.7 4,-2.5 -5,-0.3 5,-0.2 0.928 107.9 52.6 -47.7 -51.3 -7.1 57.8 23.2 32 63 A E H 3X S+ 0 0 21 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.3 0.859 101.1 63.5 -53.1 -37.6 -8.8 56.6 20.0 33 64 A S H X< S+ 0 0 68 -4,-2.0 3,-1.3 -3,-0.6 -1,-0.2 0.974 109.4 37.6 -49.1 -61.8 -11.6 55.3 22.1 34 65 A M H >X S+ 0 0 3 -4,-1.6 3,-2.7 1,-0.3 4,-0.8 0.910 108.3 60.2 -59.1 -49.2 -12.4 58.7 23.4 35 66 A A H 3< S+ 0 0 20 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.629 109.4 49.6 -57.6 -9.1 -11.8 60.6 20.1 36 67 A K T << S+ 0 0 117 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.139 119.3 31.3-114.4 15.5 -14.6 58.3 18.8 37 68 A T T <4 S+ 0 0 73 -3,-2.7 -2,-0.2 -5,-0.0 -3,-0.1 0.230 79.6 117.8-156.5 17.3 -17.2 58.8 21.6 38 69 A T < - 0 0 17 -4,-0.8 -3,-0.1 1,-0.1 -2,-0.1 0.936 37.6-173.6 -57.7 -61.9 -16.8 62.4 22.8 39 70 A N > + 0 0 67 1,-0.1 3,-4.0 141,-0.0 -1,-0.1 0.082 50.0 121.9 81.2 -24.3 -20.1 64.1 22.0 40 71 A L G > + 0 0 5 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.665 57.0 74.6 -44.7 -18.1 -18.3 67.2 23.3 41 72 A G G 3 S+ 0 0 62 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.621 92.0 56.7 -71.7 -9.3 -19.0 68.7 19.8 42 73 A D G < S+ 0 0 112 -3,-4.0 -1,-0.3 1,-0.2 -2,-0.2 -0.109 101.7 54.8-110.7 33.2 -22.6 69.0 21.1 43 74 A L S < S+ 0 0 17 -3,-1.2 -1,-0.2 58,-0.0 -2,-0.1 0.120 81.0 82.6-149.4 20.2 -21.8 71.2 24.1 44 75 A L S S+ 0 0 92 -3,-0.3 2,-0.2 4,-0.0 -2,-0.1 0.228 74.8 96.2-112.2 11.8 -19.8 74.1 22.7 45 76 A G S >> S- 0 0 36 1,-0.1 4,-1.1 0, 0.0 3,-1.0 -0.458 86.2-110.3 -98.0 171.0 -22.9 76.1 21.7 46 77 A T T 34 S+ 0 0 136 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.733 111.5 68.0 -70.9 -22.6 -24.9 78.8 23.4 47 78 A S T 34 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 3,-0.0 0.578 106.7 37.9 -74.2 -10.7 -27.8 76.4 24.0 48 79 A T T <4 S+ 0 0 19 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.713 78.8 107.5-110.8 -29.1 -25.9 74.4 26.5 49 80 A N S < S+ 0 0 126 -4,-1.1 -2,-0.1 2,-0.1 -3,-0.1 0.656 92.7 26.1 -18.7 -49.8 -23.8 77.0 28.4 50 81 A T S S+ 0 0 114 -4,-0.3 3,-0.1 1,-0.1 -3,-0.0 0.429 87.5 83.3 -91.0-126.9 -26.0 76.5 31.5 51 82 A L + 0 0 50 1,-0.2 2,-0.7 132,-0.0 -1,-0.1 0.767 66.0 157.3 25.5 47.3 -27.9 73.3 32.2 52 83 A A - 0 0 43 1,-0.1 -1,-0.2 -3,-0.1 127,-0.1 -0.871 20.9-177.4-106.5 107.2 -24.6 72.1 33.7 53 84 A N - 0 0 45 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.446 26.4-105.4 -72.8-142.2 -24.8 69.3 36.3 54 85 A N + 0 0 95 1,-0.1 -1,-0.1 43,-0.0 3,-0.1 -0.992 53.6 132.6-159.2 149.1 -21.7 68.0 38.1 55 86 A L + 0 0 57 -2,-0.3 2,-3.6 2,-0.1 120,-0.1 0.289 40.9 116.3-168.3 -12.6 -19.2 65.1 38.3 56 87 A P - 0 0 7 0, 0.0 4,-0.2 0, 0.0 116,-0.0 -0.325 58.6-171.9 -70.8 69.6 -15.7 66.6 38.4 57 88 A D > - 0 0 85 -2,-3.6 3,-1.3 2,-0.1 -2,-0.1 0.335 40.2 -64.3 -51.8-176.4 -15.3 65.1 41.9 58 89 A N T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.781 117.9 81.1 -40.7 -44.3 -12.6 65.6 44.5 59 90 A W T > + 0 0 35 1,-0.2 3,-3.6 2,-0.1 2,-2.4 0.407 53.2 125.4 -51.1 4.4 -9.9 63.9 42.3 60 91 A K T < + 0 0 52 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.143 52.5 81.9 -57.6 26.0 -9.7 67.3 40.6 61 92 A E T >> + 0 0 144 -2,-2.4 4,-2.2 2,-0.2 3,-1.3 0.494 69.9 80.4-100.7 -17.7 -6.0 67.1 41.4 62 93 A V H <> S+ 0 0 32 -3,-3.6 4,-2.7 1,-0.3 106,-0.2 0.897 86.8 57.9 -53.1 -39.1 -5.9 65.0 38.2 63 94 A Y H 3> S+ 0 0 3 -4,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.787 104.4 51.1 -62.4 -28.8 -5.9 68.4 36.5 64 95 A S H <> S+ 0 0 39 -3,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.952 110.9 45.4 -74.5 -49.6 -2.7 69.2 38.4 65 96 A D H X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.943 112.3 53.6 -56.3 -50.0 -0.8 66.1 37.5 66 97 A A H < S+ 0 0 1 -4,-2.7 12,-0.3 98,-0.3 11,-0.3 0.892 114.6 38.9 -52.7 -47.1 -1.9 66.5 33.9 67 98 A M H < S+ 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.676 112.3 59.7 -80.6 -15.8 -0.7 70.0 33.6 68 99 A N H < S+ 0 0 107 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.929 72.0 120.4 -75.1 -47.5 2.4 69.2 35.6 69 100 A S < - 0 0 28 -4,-2.5 9,-0.1 1,-0.2 89,-0.0 0.219 57.9-148.8 -20.8 117.7 3.7 66.5 33.2 70 101 A S S S+ 0 0 118 87,-0.0 2,-0.2 8,-0.0 -1,-0.2 0.830 78.3 7.2 -65.4 -32.5 7.2 67.7 32.1 71 102 A S - 0 0 48 86,-0.3 2,-0.3 87,-0.0 7,-0.1 -0.805 61.6-179.9-139.3 179.6 6.5 66.0 28.8 72 103 A S - 0 0 29 -2,-0.2 87,-0.2 89,-0.1 4,-0.2 -0.947 31.2-125.3-170.6 172.8 3.9 64.1 26.7 73 104 A V S S+ 0 0 25 85,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.853 97.8 43.2 -97.2 -52.2 3.5 62.5 23.3 74 105 A T S S- 0 0 2 1,-0.2 3,-0.2 84,-0.2 -1,-0.1 -0.646 125.5 -53.8 -89.7 154.0 0.6 64.3 22.0 75 106 A P S S- 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.087 73.0 -99.1 -31.6 119.1 0.5 68.1 22.5 76 107 A S >> - 0 0 32 1,-0.2 3,-1.3 -4,-0.2 4,-0.6 -0.152 15.5-141.4 -48.8 127.0 1.0 68.8 26.2 77 108 A V H >> S+ 0 0 7 1,-0.3 4,-1.6 -11,-0.3 3,-0.9 0.800 100.1 76.4 -58.2 -25.5 -2.2 69.6 28.0 78 109 A N H 34 S+ 0 0 85 -12,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.872 99.1 36.6 -51.5 -46.0 0.1 72.1 29.7 79 110 A S H <4 S+ 0 0 72 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.464 105.0 71.3 -90.1 -3.6 0.0 74.4 26.8 80 111 A M H << S+ 0 0 8 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.879 97.5 54.8 -78.9 -37.1 -3.6 73.8 26.0 81 112 A M S < S- 0 0 12 -4,-1.6 3,-0.1 -3,-0.1 19,-0.0 -0.341 84.1-123.6 -90.3 172.9 -4.8 75.7 29.1 82 113 A G S S- 0 0 59 1,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.533 87.6 -7.3 -93.5 -7.7 -4.0 79.3 30.2 83 114 A Q - 0 0 44 1,-0.1 4,-0.4 -5,-0.1 -1,-0.3 -0.833 56.0-125.6 177.3 146.5 -2.5 78.3 33.6 84 115 A F S > S+ 0 0 46 -2,-0.2 4,-0.5 1,-0.2 -17,-0.1 0.731 116.0 31.3 -72.9 -26.1 -2.1 75.4 36.0 85 116 A N H > S+ 0 0 60 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.409 89.9 98.1-110.4 -3.4 -3.8 77.1 38.9 86 117 A A H 4>S+ 0 0 36 1,-0.2 5,-1.3 2,-0.2 -2,-0.1 0.807 104.1 24.6 -53.6 -28.7 -6.2 79.2 36.8 87 118 A E H 45S+ 0 0 2 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.823 114.3 61.7-101.7 -49.6 -8.6 76.4 37.6 88 119 A V H <5S+ 0 0 80 -4,-0.5 -2,-0.2 2,-0.1 -3,-0.1 0.723 119.7 35.4 -51.3 -19.2 -7.3 75.0 40.9 89 120 A D T <5S- 0 0 64 -4,-1.9 -3,-0.1 3,-0.0 -2,-0.0 0.366 130.8 -0.7-102.4-127.1 -8.0 78.5 42.0 90 121 A D T 5S+ 0 0 86 -5,-0.1 -3,-0.2 2,-0.1 -4,-0.1 0.795 100.4 99.6 -32.0 -59.2 -10.9 80.9 41.0 91 122 A M < - 0 0 65 -5,-1.3 5,-0.1 -6,-0.2 3,-0.1 -0.065 68.1-144.2 -40.1 121.7 -12.5 78.4 38.5 92 123 A T >> - 0 0 95 1,-0.1 3,-2.2 3,-0.0 4,-1.2 -0.696 31.4 -88.2 -92.0 142.5 -15.5 76.8 40.3 93 124 A P T 34 S+ 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.167 119.7 20.0 -49.0 146.7 -16.3 73.1 39.5 94 125 A S T 3> S+ 0 0 25 1,-0.1 4,-1.1 -3,-0.1 5,-0.1 -0.042 122.1 65.0 80.3 -32.8 -18.6 72.9 36.5 95 126 A E T <4 S+ 0 0 34 -3,-2.2 4,-0.3 -2,-0.2 -1,-0.1 0.602 105.4 42.4 -90.5 -15.6 -17.4 76.4 35.7 96 127 A A T X S+ 0 0 2 -4,-1.2 4,-4.5 2,-0.2 5,-0.3 0.771 107.4 61.5 -94.5 -37.3 -13.9 74.9 35.2 97 128 A I H > S+ 0 0 4 -5,-0.3 4,-3.1 1,-0.3 5,-0.2 0.945 106.5 44.6 -52.7 -53.9 -15.3 71.9 33.3 98 129 A A H X S+ 0 0 58 -4,-1.1 4,-2.6 2,-0.2 -1,-0.3 0.894 116.2 49.9 -59.5 -36.7 -16.8 74.1 30.6 99 130 A Y H > S+ 0 0 47 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.990 112.5 43.8 -63.4 -60.1 -13.4 76.0 30.7 100 131 A M H X S+ 0 0 2 -4,-4.5 4,-2.1 1,-0.2 -2,-0.2 0.836 116.4 49.5 -54.3 -35.9 -11.3 72.8 30.4 101 132 A N H X S+ 0 0 5 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.912 106.1 54.1 -72.0 -42.8 -13.7 71.5 27.7 102 133 A K H X S+ 0 0 108 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.936 113.7 43.7 -56.7 -46.9 -13.6 74.7 25.6 103 134 A K H X S+ 0 0 41 -4,-2.1 4,-1.5 2,-0.2 6,-0.3 0.948 110.5 51.6 -64.8 -53.3 -9.8 74.6 25.5 104 135 A L H ><>S+ 0 0 3 -4,-2.1 5,-2.2 1,-0.2 3,-0.6 0.945 116.0 44.8 -49.7 -47.0 -9.4 70.9 24.8 105 136 A A H ><5S+ 0 0 32 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.911 112.0 48.6 -66.2 -44.3 -11.8 71.4 21.9 106 137 A E H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.606 112.0 53.1 -73.6 -7.4 -10.3 74.6 20.5 107 138 A K T <<5S- 0 0 111 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 -0.046 112.9-112.4-116.3 30.8 -6.9 73.0 20.6 108 139 A G T X 5 + 0 0 39 -3,-1.2 3,-3.3 1,-0.1 -3,-0.2 0.622 63.0 149.9 51.2 18.8 -7.6 69.8 18.7 109 140 A A T 3 - 0 0 77 -3,-3.3 4,-1.1 1,-0.2 5,-0.1 -0.819 46.0-174.0 -89.8 103.0 -8.2 65.5 16.4 112 143 A R H > S+ 0 0 87 -2,-1.1 4,-4.0 2,-0.2 5,-0.3 0.839 75.2 62.7 -69.9 -32.2 -7.2 61.9 16.1 113 144 A V H > S+ 0 0 87 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.989 111.2 39.5 -54.6 -58.7 -5.3 62.2 12.8 114 145 A M H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.745 115.7 53.8 -60.7 -23.7 -2.8 64.5 14.5 115 146 A A H X S+ 0 0 4 -4,-1.1 4,-3.2 2,-0.2 -1,-0.2 0.959 109.0 47.7 -72.7 -51.0 -3.0 62.4 17.6 116 147 A E H X S+ 0 0 56 -4,-4.0 4,-4.0 2,-0.2 5,-0.3 0.893 107.2 57.6 -54.5 -44.5 -2.1 59.2 15.6 117 148 A K H X S+ 0 0 142 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.976 111.5 40.7 -51.2 -61.1 0.7 61.1 13.9 118 149 A A H X S+ 0 0 25 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.929 116.7 50.4 -51.6 -51.9 2.3 61.9 17.3 119 150 A Y H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.938 112.1 45.9 -54.7 -51.1 1.6 58.4 18.6 120 151 A N H X S+ 0 0 85 -4,-4.0 4,-2.5 1,-0.2 5,-0.3 0.964 108.5 57.0 -57.7 -51.4 3.0 56.7 15.5 121 152 A N H X S+ 0 0 103 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.879 109.5 44.6 -46.7 -46.5 6.1 58.8 15.6 122 153 A Q H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.889 109.2 56.6 -69.0 -36.4 6.9 57.8 19.2 123 154 A M H X S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.906 110.3 45.4 -62.1 -37.4 6.2 54.1 18.4 124 155 A Q H X S+ 0 0 126 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.918 108.5 55.1 -70.3 -43.7 8.8 54.4 15.6 125 156 A E H X S+ 0 0 69 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.886 110.9 47.8 -56.4 -37.4 11.3 56.1 17.8 126 157 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.958 109.1 50.3 -69.4 -50.2 11.0 53.2 20.3 127 158 A S H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.910 113.2 49.5 -52.3 -43.8 11.3 50.5 17.7 128 159 A D H X S+ 0 0 83 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.950 105.6 53.3 -62.8 -50.7 14.4 52.3 16.5 129 160 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.766 108.7 54.9 -58.9 -19.3 15.9 52.6 20.0 130 161 A Q H X S+ 0 0 38 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.984 106.4 46.4 -73.3 -62.5 15.4 48.9 20.2 131 162 A A H X S+ 0 0 56 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.867 112.2 55.5 -44.7 -40.3 17.4 48.1 17.0 132 163 A L H X S+ 0 0 44 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.978 101.9 54.0 -58.2 -57.4 19.9 50.5 18.5 133 164 A T H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.843 109.2 50.6 -44.2 -43.6 20.2 48.5 21.8 134 165 A E H < S+ 0 0 130 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.998 109.6 48.5 -58.2 -65.5 21.0 45.4 19.7 135 166 A Q H < S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.861 110.1 54.0 -41.2 -49.2 23.6 47.2 17.7 136 167 A I H >< S+ 0 0 5 -4,-2.9 3,-2.8 1,-0.2 2,-2.7 0.968 100.3 57.8 -54.7 -61.0 25.2 48.5 20.9 137 168 A K T 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.3 -4,-0.0 -0.480 105.8 51.9 -72.7 79.6 25.6 45.1 22.6 138 169 A S T 3 S+ 0 0 98 -2,-2.7 -1,-0.3 -3,-0.0 -2,-0.2 0.094 128.5 19.3 169.5 -1.7 27.7 43.8 19.7 139 170 A T S < S- 0 0 111 -3,-2.8 -2,-0.2 2,-0.1 -4,-0.0 -0.183 93.9-162.8-179.1 57.8 30.1 46.8 19.8 140 171 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.109 13.9 172.6 -48.6 168.7 29.5 48.1 23.4 141 172 A D > - 0 0 79 1,-0.1 4,-0.6 2,-0.0 -2,-0.1 -0.925 36.1-131.6-170.7 161.0 30.6 51.5 24.4 142 173 A L H > S+ 0 0 147 -2,-0.3 4,-2.0 2,-0.1 5,-0.1 0.788 107.9 47.1 -94.8 -33.6 30.0 53.6 27.6 143 174 A K H > S+ 0 0 147 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.956 111.9 50.4 -69.2 -52.2 29.0 56.8 25.8 144 175 A S H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 113.0 46.7 -52.8 -45.7 26.6 54.9 23.5 145 176 A I H X S+ 0 0 19 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.916 112.3 49.9 -64.6 -42.9 25.0 53.2 26.5 146 177 A A H X S+ 0 0 49 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.925 113.6 45.4 -60.7 -49.0 24.8 56.5 28.5 147 178 A D H X S+ 0 0 89 -4,-3.0 4,-3.3 1,-0.2 3,-0.5 0.992 112.4 48.9 -59.3 -62.9 23.1 58.3 25.6 148 179 A L H X S+ 0 0 4 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.838 110.4 55.3 -45.3 -36.4 20.7 55.6 24.8 149 180 A Q H X S+ 0 0 75 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.3 0.943 111.6 40.1 -64.6 -49.5 19.9 55.5 28.5 150 181 A A H X S+ 0 0 49 -4,-2.3 4,-1.7 -3,-0.5 -2,-0.2 0.887 114.2 56.4 -64.4 -39.7 19.0 59.2 28.7 151 182 A R H >X S+ 0 0 100 -4,-3.3 4,-1.4 -5,-0.2 3,-0.7 0.964 109.0 45.0 -55.9 -54.9 17.3 58.9 25.4 152 183 A I H 3X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.3 3,-0.3 0.909 108.3 57.9 -56.3 -44.6 15.0 56.1 26.8 153 184 A Q H 3X S+ 0 0 117 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.815 101.5 56.5 -58.1 -31.2 14.4 58.1 29.9 154 185 A T H X S+ 0 0 109 -4,-2.8 3,-1.3 2,-0.2 4,-1.2 0.987 113.4 49.4 -67.6 -57.7 4.0 58.8 31.5 161 192 A G H 3X S+ 0 0 8 -4,-3.7 4,-1.6 1,-0.3 -2,-0.2 0.824 105.8 60.4 -49.2 -33.2 3.1 62.4 31.0 162 193 A E H 3X S+ 0 0 1 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.3 0.911 97.7 58.7 -61.1 -41.9 0.8 61.2 28.2 163 194 A Q H S+ 0 0 1 -4,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.835 102.8 47.5 -99.3 -49.7 -19.3 65.1 29.6 177 208 A D H X S+ 0 0 81 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.860 116.6 50.1 -60.5 -33.1 -21.6 62.1 29.1 178 209 A K H >X S+ 0 0 97 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.996 106.7 49.7 -64.8 -67.4 -23.2 63.4 32.3 179 210 A L H 3< S+ 0 0 23 -4,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.670 110.0 58.8 -46.7 -18.4 -23.6 67.0 31.3 180 211 A L H >X S+ 0 0 32 -4,-1.1 4,-1.4 2,-0.2 3,-1.1 0.939 104.7 42.6 -80.5 -51.7 -25.2 65.5 28.1 181 212 A R H << S+ 0 0 64 -4,-1.7 -2,-0.2 -3,-0.6 3,-0.2 0.899 109.6 62.5 -60.3 -36.9 -28.1 63.6 29.7 182 213 A A T >< S+ 0 0 28 -4,-2.5 3,-0.7 1,-0.3 -1,-0.3 0.760 99.4 53.9 -58.3 -26.8 -28.5 66.7 31.8 183 214 A Q T <4 S+ 0 0 53 -3,-1.1 2,-0.3 -4,-0.4 4,-0.3 0.908 98.6 61.2 -73.0 -42.8 -29.2 68.6 28.6 184 215 A K T 3< S+ 0 0 143 -4,-1.4 2,-1.1 -3,-0.2 -1,-0.2 0.081 76.9 124.0 -72.1 26.1 -31.9 66.1 27.7 185 216 A D S < S+ 0 0 73 -3,-0.7 -1,-0.1 -2,-0.3 -3,-0.1 -0.775 75.2 23.9 -95.5 91.6 -33.6 67.2 31.0 186 217 A R 0 0 109 -2,-1.1 -1,-0.2 0, 0.0 -2,-0.1 -0.374 360.0 360.0 150.4 -50.9 -37.0 68.4 29.8 187 218 A A 0 0 132 -4,-0.3 -2,-0.2 0, 0.0 -3,-0.1 0.955 360.0 360.0 -72.4 360.0 -37.4 66.3 26.6