==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-09 3KFW . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR U.A.RAMAGOPAL,R.TORO,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEAR . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 71.8 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 . 25 10.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 2 1 0 0 0 2 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 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 . 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X S 0 0 92 0, 0.0 2,-0.9 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 113.8 -25.9 -28.8 -0.3 2 4 X L + 0 0 81 4,-0.1 2,-0.3 5,-0.0 183,-0.0 -0.450 360.0 142.1 -99.9 57.3 -28.2 -31.8 -0.4 3 5 X T > - 0 0 77 -2,-0.9 4,-2.3 1,-0.1 5,-0.2 -0.759 64.6-106.7-106.6 151.2 -29.4 -30.9 -4.0 4 6 X A H > S+ 0 0 26 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.811 115.2 45.3 -43.3 -53.4 -30.2 -33.4 -6.7 5 7 X R H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.958 114.1 46.3 -58.3 -55.4 -27.2 -32.6 -8.9 6 8 X S H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.816 112.1 52.4 -66.9 -27.3 -24.5 -32.6 -6.1 7 9 X V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.862 107.3 49.8 -76.7 -31.4 -25.9 -35.8 -4.6 8 10 X V H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.881 109.0 56.1 -68.9 -32.5 -25.8 -37.7 -7.9 9 11 X L H X S+ 0 0 42 -4,-2.5 4,-0.9 -5,-0.2 3,-0.3 0.967 110.4 42.7 -55.1 -53.3 -22.2 -36.4 -8.1 10 12 X S H >< S+ 0 0 21 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.881 111.9 53.9 -61.4 -38.1 -21.4 -38.0 -4.7 11 13 X V H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.4 45.0 -68.4 -29.4 -23.2 -41.2 -5.5 12 14 X L H >X S+ 0 0 3 -4,-1.9 3,-3.2 -3,-0.3 4,-0.5 0.549 79.0 138.1 -90.2 -6.9 -21.1 -41.5 -8.7 13 15 X L T << S- 0 0 20 -4,-0.9 -3,-0.1 -3,-0.6 -4,-0.0 -0.139 83.8 -2.2 -42.2 115.9 -17.8 -40.7 -7.1 14 16 X G T 34 S+ 0 0 71 1,-0.0 -1,-0.3 4,-0.0 4,-0.1 0.475 101.4 112.2 77.6 4.9 -15.2 -43.1 -8.5 15 17 X A T X4 + 0 0 15 -3,-3.2 3,-1.8 2,-0.1 -2,-0.1 0.973 46.8 137.5 -67.7 -53.0 -17.8 -45.0 -10.7 16 18 X H T 3< + 0 0 47 -4,-0.5 3,-0.1 1,-0.3 44,-0.0 0.029 63.9 24.9 -40.8 129.6 -16.3 -43.8 -14.0 17 19 X P T 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.970 110.0 83.2 -89.1 -0.6 -16.0 -45.6 -16.5 18 20 X A S < S- 0 0 49 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.257 76.6-130.0 -61.0 157.8 -18.7 -47.9 -15.2 19 21 X W - 0 0 71 41,-0.1 2,-0.4 -3,-0.1 41,-0.2 -0.836 10.4-147.3-115.3 150.6 -22.4 -46.8 -16.0 20 22 X A B -A 59 0A 1 39,-3.2 39,-2.0 -2,-0.3 2,-0.1 -0.987 14.9-133.5-124.4 122.6 -25.2 -46.5 -13.6 21 23 X T >> - 0 0 48 -2,-0.4 4,-2.4 37,-0.2 3,-0.6 -0.410 24.3-113.6 -72.0 148.6 -28.8 -47.2 -14.6 22 24 X A H 3> S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.907 119.4 56.1 -36.5 -55.3 -31.7 -44.9 -13.7 23 25 X S H 3> S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 107.7 47.5 -49.5 -44.8 -33.0 -47.7 -11.5 24 26 X E H <> S+ 0 0 38 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.918 112.9 47.2 -69.9 -43.6 -29.7 -47.9 -9.6 25 27 X L H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 107.8 56.9 -63.5 -39.7 -29.5 -44.2 -9.1 26 28 X I H X S+ 0 0 34 -4,-3.3 4,-0.5 -5,-0.3 -2,-0.2 0.940 111.8 44.3 -55.1 -43.7 -33.2 -44.2 -7.9 27 29 X Q H >< S+ 0 0 104 -4,-1.9 3,-0.7 -5,-0.2 4,-0.4 0.916 117.6 41.1 -67.7 -44.7 -32.1 -46.7 -5.3 28 30 X L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.698 113.7 54.9 -77.0 -18.7 -28.9 -45.0 -4.1 29 31 X T H 3<>S+ 0 0 3 -4,-2.0 5,-0.9 -5,-0.2 3,-0.3 0.546 92.4 71.7 -92.7 -8.0 -30.5 -41.5 -4.2 30 32 X A T X<5S+ 0 0 50 -3,-0.7 3,-0.7 -4,-0.5 -1,-0.2 0.715 82.0 63.8 -89.6 -29.2 -33.5 -42.3 -1.9 31 33 X D T 3 5S+ 0 0 96 -4,-0.4 -1,-0.2 1,-0.3 149,-0.1 0.640 105.0 54.1 -67.3 -13.5 -31.9 -42.5 1.5 32 34 X F T 3 5S- 0 0 17 -3,-0.3 -1,-0.3 148,-0.1 -2,-0.2 0.513 128.6-109.6 -96.1 -14.3 -31.2 -38.9 0.7 33 35 X G T < 5S+ 0 0 60 -3,-0.7 2,-0.4 1,-0.1 -3,-0.2 0.774 73.7 125.2 101.2 34.9 -34.9 -38.5 0.1 34 36 X I < - 0 0 39 -5,-0.9 -1,-0.1 -8,-0.2 -5,-0.1 -0.818 38.2-160.9-131.7 98.5 -35.6 -38.0 -3.6 35 37 X K > - 0 0 75 -2,-0.4 4,-1.1 -5,-0.1 3,-0.4 -0.063 50.0 -74.0 -58.9 169.0 -38.0 -40.4 -5.4 36 38 X E H >> S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.807 119.1 70.4 -31.2 -66.1 -38.0 -40.7 -9.2 37 39 X T H 3> S+ 0 0 82 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.738 104.2 33.0 -21.9 -80.4 -39.6 -37.3 -9.9 38 40 X T H 3> S+ 0 0 49 -3,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.820 121.9 52.3 -58.6 -32.8 -36.8 -34.7 -9.0 39 41 X L H S+ 0 0 6 -4,-3.2 5,-3.3 1,-0.2 6,-0.5 0.908 109.9 49.8 -67.1 -47.0 -27.4 -32.6 -16.2 47 49 X V H ><5S+ 0 0 32 -4,-2.4 3,-0.5 4,-0.2 -1,-0.2 0.791 112.6 49.7 -52.3 -39.4 -27.0 -34.6 -19.5 48 50 X G H 3<5S+ 0 0 70 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.819 110.4 48.9 -73.0 -32.1 -28.3 -31.5 -21.3 49 51 X A T 3<5S- 0 0 54 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.347 121.0-105.5 -90.7 3.3 -26.0 -29.1 -19.5 50 52 X G T < 5S+ 0 0 18 -3,-0.5 14,-0.2 2,-0.3 15,-0.2 0.657 90.9 111.2 83.8 20.1 -22.9 -31.3 -20.3 51 53 X D S -B 58 0A 44 3,-2.3 3,-1.4 -2,-0.3 -2,-0.0 -0.880 59.1 -80.2-146.5-178.8 -26.2 -44.5 -23.0 56 58 X A T 3 S+ 0 0 109 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.812 130.8 54.9 -54.4 -30.7 -28.2 -47.6 -23.2 57 59 X D T 3 S- 0 0 110 1,-0.2 2,-0.5 -36,-0.1 -1,-0.2 0.562 117.2-116.0 -86.7 -5.8 -26.4 -48.8 -20.1 58 60 X G E < - B 0 55A 8 -3,-1.4 -3,-2.3 -37,-0.1 2,-0.3 -0.941 53.0 -15.6 127.3-114.4 -27.4 -45.6 -18.2 59 61 X Y E +AB 20 54A 29 -39,-2.0 -39,-3.2 -2,-0.5 2,-0.3 -0.956 44.0 158.8-138.6 144.1 -25.3 -42.7 -16.8 60 62 X R E - B 0 53A 65 -7,-1.4 -7,-2.2 -2,-0.3 -41,-0.1 -0.939 49.6 -72.4-153.9 162.5 -21.7 -41.9 -15.9 61 63 X L E - B 0 52A 9 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.262 47.9-108.3 -60.1 145.2 -19.8 -38.6 -15.5 62 64 X S > - 0 0 14 -11,-2.4 4,-2.8 1,-0.1 3,-0.4 -0.371 27.5-115.4 -58.0 147.8 -18.9 -36.3 -18.4 63 65 X D H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.867 118.0 49.0 -57.8 -37.8 -15.2 -36.1 -19.4 64 66 X R H > S+ 0 0 150 -14,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.761 112.2 47.1 -75.9 -25.6 -15.1 -32.4 -18.3 65 67 X L H > S+ 0 0 4 -3,-0.4 4,-2.3 -15,-0.2 -2,-0.2 0.864 112.2 52.4 -74.1 -36.1 -16.8 -33.1 -15.0 66 68 X L H X S+ 0 0 52 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.895 109.7 46.0 -62.9 -48.0 -14.3 -36.0 -14.5 67 69 X A H X S+ 0 0 43 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.776 112.9 52.4 -64.1 -32.5 -11.3 -33.7 -15.2 68 70 X R H X S+ 0 0 112 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.869 110.0 47.5 -66.4 -41.4 -12.9 -31.2 -12.8 69 71 X Q H X S+ 0 0 40 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.900 111.7 52.6 -65.7 -40.6 -13.2 -33.9 -10.1 70 72 X R H X S+ 0 0 188 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.804 107.5 49.3 -66.2 -34.9 -9.6 -34.9 -10.8 71 73 X R H < S+ 0 0 166 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.830 105.2 58.6 -78.7 -33.2 -8.2 -31.4 -10.4 72 74 X Q H >X S+ 0 0 57 -4,-1.6 4,-1.2 1,-0.2 3,-0.7 0.893 107.7 47.7 -53.1 -45.1 -10.1 -31.1 -7.1 73 75 X D H 3X S+ 0 0 71 -4,-1.4 4,-1.5 1,-0.3 -2,-0.2 0.817 108.8 50.3 -76.1 -32.8 -8.2 -34.2 -5.7 74 76 X E H 3< S+ 0 0 82 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.409 111.3 53.6 -78.9 1.6 -4.7 -33.0 -6.8 75 77 X A H <4 S+ 0 0 18 -3,-0.7 -2,-0.2 -4,-0.1 -1,-0.2 0.684 111.0 43.4 -98.2 -30.8 -5.7 -29.7 -5.0 76 78 X X H < S+ 0 0 3 -4,-1.2 -2,-0.2 1,-0.3 -3,-0.2 0.675 132.9 23.7 -85.1 -27.3 -6.6 -31.7 -1.8 77 79 X R S < S+ 0 0 129 -4,-1.5 2,-0.6 -5,-0.1 -1,-0.3 -0.616 82.6 173.8-135.0 77.4 -3.4 -33.7 -2.1 78 80 X P - 0 0 16 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.784 49.9 -92.5 -89.4 120.2 -1.1 -31.6 -4.3 79 81 X R - 0 0 102 -2,-0.6 50,-0.4 -5,-0.1 2,-0.3 0.032 49.9-163.7 -35.6 121.6 2.3 -33.2 -4.5 80 82 X T - 0 0 54 48,-0.1 2,-0.4 -3,-0.0 48,-0.2 -0.776 5.0-144.1-100.9 156.9 4.3 -31.7 -1.7 81 83 X R - 0 0 110 46,-0.8 47,-0.0 -2,-0.3 0, 0.0 -0.971 32.3 -91.0-120.5 141.8 8.2 -31.9 -1.4 82 84 X A - 0 0 90 -2,-0.4 2,-0.3 1,-0.1 -1,-0.0 -0.224 57.9-119.6 -42.7 133.4 10.4 -32.3 1.7 83 85 X W - 0 0 22 1,-0.1 -1,-0.1 2,-0.1 120,-0.1 -0.650 31.7-175.6-103.6 144.8 11.1 -28.7 2.7 84 86 X H - 0 0 148 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.135 60.7 -87.4-125.7 20.1 14.4 -26.8 3.1 85 87 X G S S+ 0 0 14 1,-0.3 62,-0.5 61,-0.0 2,-0.3 0.388 82.5 129.8 101.2 -1.0 13.4 -23.4 4.5 86 88 X N - 0 0 42 60,-0.1 40,-2.4 58,-0.0 2,-0.4 -0.642 39.0-156.2 -94.4 146.2 12.6 -21.4 1.3 87 89 X W E -CD 125 145B 0 58,-2.7 58,-2.2 38,-0.3 2,-0.4 -0.929 16.6-128.6-118.2 139.6 9.6 -19.4 0.5 88 90 X H E -CD 124 144B 24 36,-2.8 36,-1.7 -2,-0.4 2,-0.4 -0.728 31.6-163.3 -75.9 137.8 8.0 -18.4 -2.8 89 91 X X E -CD 123 143B 32 54,-2.4 54,-2.4 -2,-0.4 2,-0.6 -0.978 14.4-171.8-132.5 125.8 7.4 -14.7 -2.8 90 92 X L E -CD 122 142B 2 32,-2.8 32,-2.5 -2,-0.4 2,-0.5 -0.959 4.3-169.6-120.8 118.0 5.2 -12.7 -5.0 91 93 X I E -CD 121 141B 43 50,-2.2 50,-2.7 -2,-0.6 2,-0.4 -0.911 21.9-133.1-102.3 120.1 5.4 -8.9 -4.9 92 94 X V E + D 0 140B 41 28,-2.5 48,-0.2 -2,-0.5 3,-0.1 -0.646 28.7 173.0 -80.8 127.2 2.6 -7.1 -6.8 93 95 X T + 0 0 97 46,-1.0 2,-0.4 -2,-0.4 47,-0.2 0.297 61.3 54.6-115.7 5.8 4.2 -4.3 -8.9 94 96 X S S S- 0 0 57 45,-0.7 2,-0.6 0, 0.0 -1,-0.1 -0.999 72.6-133.7-142.1 137.1 1.1 -3.3 -10.8 95 97 X I - 0 0 152 -2,-0.4 7,-0.1 -3,-0.1 -2,-0.0 -0.850 36.9-116.9 -86.7 121.9 -2.3 -2.3 -9.8 96 98 X G - 0 0 13 -2,-0.6 6,-0.1 1,-0.1 -1,-0.0 -0.285 21.8-120.3 -55.4 139.2 -4.9 -4.2 -11.9 97 99 X T S S+ 0 0 131 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 0.662 83.6 16.8 -59.9 -27.8 -7.0 -1.9 -14.2 98 100 X D S > S- 0 0 80 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.929 80.0 -97.9-146.2 171.3 -10.5 -2.8 -12.7 99 101 X A H > S+ 0 0 62 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.878 119.2 51.2 -58.1 -43.1 -12.4 -4.3 -9.8 100 102 X R H > S+ 0 0 210 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 113.5 49.0 -60.6 -46.1 -12.9 -7.8 -11.4 101 103 X T H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.887 112.2 44.3 -55.9 -51.9 -9.1 -7.8 -12.1 102 104 X R H X S+ 0 0 124 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.953 116.2 49.5 -65.5 -39.7 -8.0 -6.8 -8.5 103 105 X A H X S+ 0 0 54 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.857 108.4 52.6 -63.0 -35.6 -10.6 -9.3 -7.1 104 106 X A H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.889 104.5 56.5 -71.9 -35.2 -9.3 -12.1 -9.5 105 107 X L H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.951 109.8 44.5 -57.6 -46.7 -5.8 -11.5 -8.3 106 108 X R H X S+ 0 0 112 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.974 114.4 49.7 -61.2 -52.6 -6.9 -12.1 -4.6 107 109 X T H X S+ 0 0 96 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.829 111.8 49.8 -52.4 -34.7 -8.9 -15.1 -5.7 108 110 X C H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.908 109.5 48.7 -73.4 -45.5 -5.8 -16.3 -7.6 109 111 X X H <>S+ 0 0 3 -4,-2.8 5,-2.4 2,-0.2 -2,-0.2 0.938 113.4 49.0 -57.0 -43.1 -3.4 -15.9 -4.6 110 112 X H H ><5S+ 0 0 104 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.928 108.6 52.9 -62.9 -45.3 -5.9 -17.8 -2.3 111 113 X H H 3<5S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 110.4 46.1 -58.7 -38.3 -6.3 -20.6 -4.9 112 114 X K T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.267 119.3-115.4 -89.1 7.0 -2.5 -21.2 -5.1 113 115 X R T < 5 + 0 0 22 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.847 60.2 152.6 63.6 43.5 -2.5 -21.0 -1.2 114 116 X F < - 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0 0 29 -3,-1.6 3,-0.1 -4,-0.7 -3,-0.0 -0.353 46.1-164.8 -67.7 147.9 -23.8 -36.9 12.2 178 180 X T + 0 0 128 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.612 58.0 15.1-115.9 -26.0 -26.7 -39.2 12.4 179 181 X D S > S- 0 0 87 1,-0.1 4,-2.7 -147,-0.0 5,-0.2 -0.900 83.6 -91.9-144.8 175.7 -27.6 -40.3 8.8 180 182 X X H > S+ 0 0 56 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.908 124.7 54.5 -58.9 -46.2 -26.1 -40.4 5.3 181 183 X P H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.906 111.4 45.7 -53.7 -45.5 -27.7 -37.0 4.5 182 184 X G H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 113.8 48.0 -58.8 -48.1 -26.0 -35.5 7.7 183 185 X R H X S+ 0 0 76 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.898 109.6 55.0 -59.4 -41.0 -22.6 -37.1 6.8 184 186 X F H X S+ 0 0 8 -4,-3.2 4,-2.3 -5,-0.2 5,-0.2 0.970 107.9 47.0 -58.5 -54.1 -23.0 -35.8 3.3 185 187 X V H X S+ 0 0 64 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.889 113.0 49.9 -57.8 -41.4 -23.4 -32.2 4.4 186 188 X V H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.921 108.6 52.3 -64.2 -43.1 -20.5 -32.5 6.8 187 189 X A H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.917 106.9 51.7 -56.0 -49.0 -18.2 -33.9 4.0 188 190 X A H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.874 109.8 51.7 -56.7 -35.5 -19.0 -31.0 1.7 189 191 X A H X S+ 0 0 20 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.914 109.8 49.1 -64.6 -38.7 -18.1 -28.7 4.6 190 192 X X H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.833 108.4 51.7 -70.6 -37.0 -14.8 -30.5 5.0 191 193 X V H X S+ 0 0 20 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.930 110.9 48.9 -63.3 -46.8 -14.0 -30.4 1.3 192 194 X R H < S+ 0 0 144 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.838 112.2 50.1 -62.1 -32.5 -14.6 -26.6 1.5 193 195 X H H >< S+ 0 0 29 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.921 108.2 49.9 -73.2 -43.4 -12.4 -26.4 4.5 194 196 X L H >< S+ 0 0 0 -4,-2.7 3,-3.0 1,-0.2 -2,-0.2 0.844 97.1 70.8 -60.4 -31.3 -9.5 -28.3 2.9 195 197 X L T 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.768 102.7 44.7 -56.2 -29.6 -9.6 -26.1 -0.2 196 198 X T T < S+ 0 0 81 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.262 83.0 134.3 -95.8 4.4 -8.2 -23.4 2.1 197 199 X D < - 0 0 3 -3,-3.0 -3,-0.1 1,-0.2 -4,-0.0 -0.359 54.3-143.7 -59.4 127.3 -5.6 -25.6 3.6 198 200 X P - 0 0 3 0, 0.0 -1,-0.2 0, 0.0 -83,-0.1 0.610 24.6-140.5 -74.0 -5.0 -2.3 -23.8 3.7 199 201 X X - 0 0 12 1,-0.2 -72,-0.1 -5,-0.1 -2,-0.0 0.900 29.3-169.9 58.2 48.9 -0.6 -27.1 3.0 200 202 X L - 0 0 11 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.417 22.8-106.8 -77.9 147.3 2.3 -26.4 5.3 201 203 X P >> - 0 0 6 0, 0.0 3,-2.8 0, 0.0 4,-0.8 -0.448 39.1 -97.7 -69.5 148.5 5.4 -28.6 5.4 202 204 X A G >4 S+ 0 0 73 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.735 118.7 58.0 -19.1 -62.2 5.9 -30.9 8.4 203 205 X E G 34 S+ 0 0 114 1,-0.3 -1,-0.3 -120,-0.1 -52,-0.1 0.606 110.8 42.3 -58.5 -18.6 8.3 -28.6 10.4 204 206 X L G <4 S+ 0 0 13 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.566 87.2 105.9-109.3 -11.8 5.7 -25.8 10.5 205 207 X L << - 0 0 67 -3,-1.2 2,-0.1 -4,-0.8 -54,-0.0 -0.568 69.1-131.6 -70.9 125.8 2.6 -27.8 11.3 206 208 X P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.459 24.1-115.1 -69.6 151.6 1.4 -27.4 14.9 207 209 X A T 3 S+ 0 0 115 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.642 114.4 57.8 -72.5 -17.4 0.7 -30.8 16.6 208 210 X D T 3 S+ 0 0 99 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.169 75.7 137.5 -91.0 18.7 -3.0 -30.1 17.0 209 211 X W < - 0 0 34 -3,-1.7 3,-0.3 1,-0.1 4,-0.3 -0.496 43.6-157.2 -66.2 120.8 -3.3 -29.5 13.2 210 212 X P > + 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.311 60.9 107.1 -83.9 9.8 -6.6 -31.3 11.9 211 213 X G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.915 82.2 41.0 -54.6 -55.5 -5.5 -31.8 8.2 212 214 X A H > S+ 0 0 77 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.864 115.1 52.4 -62.1 -42.2 -4.9 -35.6 8.3 213 215 X G H > S+ 0 0 33 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.903 110.8 48.5 -57.8 -44.5 -8.0 -36.1 10.4 214 216 X L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.931 111.8 47.8 -69.7 -43.3 -10.1 -34.1 7.9 215 217 X R H X S+ 0 0 36 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.909 111.8 50.5 -57.8 -47.2 -8.7 -36.1 4.9 216 218 X A H X S+ 0 0 52 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.894 111.3 48.5 -57.7 -41.8 -9.3 -39.5 6.6 217 219 X A H X S+ 0 0 15 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.869 113.6 46.6 -70.4 -38.5 -12.9 -38.5 7.4 218 220 X Y H X S+ 0 0 17 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.937 113.4 47.9 -67.4 -45.6 -13.5 -37.4 3.8 219 221 X H H X S+ 0 0 92 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.826 110.1 54.1 -68.5 -27.1 -11.9 -40.5 2.4 220 222 X D H X S+ 0 0 99 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 110.1 46.3 -66.8 -42.3 -14.0 -42.6 4.8 221 223 X F H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.940 111.5 50.7 -65.9 -46.3 -17.1 -41.0 3.5 222 224 X A H X S+ 0 0 21 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.882 111.7 50.2 -55.5 -38.7 -16.0 -41.4 -0.2 223 225 X T H X S+ 0 0 90 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 109.5 48.1 -65.9 -48.6 -15.4 -45.1 0.6 224 226 X A H X S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.862 112.2 52.7 -58.5 -36.8 -18.8 -45.6 2.2 225 227 X X H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.932 111.0 44.1 -62.0 -51.0 -20.3 -43.9 -0.8 226 228 X A H X S+ 0 0 27 -4,-2.3 4,-0.5 1,-0.2 3,-0.2 0.828 110.6 56.0 -66.5 -33.4 -18.5 -46.2 -3.3 227 229 X K H >X S+ 0 0 153 -4,-2.4 4,-2.1 1,-0.2 3,-0.9 0.878 101.6 55.9 -67.6 -38.7 -19.4 -49.3 -1.3 228 230 X R H 3X S+ 0 0 39 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.794 105.2 54.7 -57.6 -32.3 -23.2 -48.5 -1.4 229 231 X R H 3X S+ 0 0 12 -4,-0.9 4,-0.9 -3,-0.2 -1,-0.2 0.596 107.9 46.9 -85.7 -14.2 -23.0 -48.5 -5.2 230 232 X D H