==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 25-FEB-10 2X79 . COMPND 2 MOLECULE: HYDANTOIN TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROBACTERIUM LIQUEFACIENS; . AUTHOR T.SHIMAMURA,S.WEYAND,O.BECKSTEIN,N.G.RUTHERFORD,J.M.HADDEN, . 465 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 72.7 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 . 2 0.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 49.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 3 1 1 1 1 1 2 3 2 1 1 0 0 2 0 0 1 0 1 0 0 0 0 1 1 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 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 6 A I 0 0 219 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.0 54.7 -14.3 5.2 2 7 A E - 0 0 69 95,-0.0 2,-0.4 0, 0.0 399,-0.0 -0.777 360.0-119.5-130.9-178.3 56.9 -15.3 8.1 3 8 A E - 0 0 109 -2,-0.2 2,-0.2 93,-0.0 3,-0.0 -0.995 21.7-126.3-135.1 136.4 57.4 -13.7 11.6 4 9 A A S S+ 0 0 98 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.457 81.2 32.8 -89.5 149.7 60.6 -12.3 13.2 5 10 A R S S- 0 0 233 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.973 79.9-169.2 68.5 78.3 62.2 -13.3 16.5 6 11 A S - 0 0 45 2,-0.0 2,-0.4 -3,-0.0 386,-0.2 -0.795 13.0-150.2-111.6 145.5 61.2 -17.0 16.6 7 12 A L - 0 0 123 -2,-0.3 2,-0.6 384,-0.1 384,-0.1 -0.933 2.9-157.8-126.7 131.6 61.5 -19.4 19.5 8 13 A L - 0 0 54 -2,-0.4 -2,-0.0 382,-0.2 384,-0.0 -0.893 27.9-168.0-117.1 105.3 62.0 -23.2 19.4 9 14 A N > - 0 0 90 -2,-0.6 3,-1.8 4,-0.0 4,-0.4 -0.351 36.2 -90.4-111.5 170.4 60.9 -25.0 22.6 10 15 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.536 110.6 71.7 -51.9 -17.2 60.8 -28.3 24.7 11 16 A S T 3 S+ 0 0 87 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.918 104.9 38.5 -66.6 -42.4 57.6 -29.6 23.0 12 17 A N S < S+ 0 0 21 -3,-1.8 72,-0.6 74,-0.1 -1,-0.2 0.511 91.5 137.9 -81.9 -6.9 59.5 -30.3 19.8 13 18 A A - 0 0 40 -4,-0.4 2,-0.1 -3,-0.1 74,-0.1 0.000 58.8-103.6 -51.8 145.9 62.6 -31.5 21.7 14 19 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 69,-0.2 -0.419 31.9-113.4 -73.6 140.7 64.5 -34.6 20.5 15 20 A T - 0 0 9 67,-1.2 2,-0.1 -2,-0.1 213,-0.1 -0.576 32.1-142.1 -77.6 132.8 64.1 -37.9 22.2 16 21 A R >> - 0 0 64 -2,-0.3 3,-1.3 1,-0.1 4,-1.3 -0.399 24.0-108.8 -91.1 169.5 67.2 -39.2 24.0 17 22 A Y T 34 S+ 0 0 40 444,-1.9 445,-0.1 1,-0.3 214,-0.1 0.711 117.6 62.8 -69.5 -19.1 68.5 -42.7 24.2 18 23 A A T 34 S+ 0 0 70 443,-0.5 -1,-0.3 1,-0.1 444,-0.1 0.086 106.6 43.5 -92.8 23.0 67.6 -42.6 27.9 19 24 A E T <4 S+ 0 0 113 -3,-1.3 -2,-0.2 210,-0.1 -1,-0.1 0.583 76.2 116.0-134.6 -33.6 63.9 -42.2 27.1 20 25 A R < + 0 0 23 -4,-1.3 209,-0.2 209,-0.2 208,-0.1 -0.046 24.9 160.4 -42.0 140.8 63.0 -44.6 24.3 21 26 A S + 0 0 82 207,-2.3 2,-0.7 1,-0.1 208,-0.2 0.252 36.6 102.7-151.8 12.5 60.5 -47.3 25.4 22 27 A V - 0 0 10 206,-2.8 208,-0.4 204,-0.1 206,-0.1 -0.800 45.2-174.0-111.1 91.8 58.8 -48.7 22.2 23 28 A G >> - 0 0 17 -2,-0.7 3,-2.0 206,-0.2 4,-1.7 -0.629 46.0 -97.8 -82.5 145.1 60.2 -52.2 21.2 24 29 A P T 34 S+ 0 0 28 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.541 125.7 53.4 -43.2 -16.6 59.0 -53.6 17.9 25 30 A F T 3> S+ 0 0 172 2,-0.2 4,-0.7 3,-0.1 3,-0.3 0.893 111.3 43.2 -79.9 -47.9 56.4 -55.6 19.8 26 31 A S H <> S+ 0 0 62 -3,-2.0 4,-0.8 1,-0.2 -1,-0.1 0.745 115.3 50.0 -71.2 -24.9 55.0 -52.7 21.6 27 32 A L H < S+ 0 0 2 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.616 105.5 58.0 -81.2 -17.8 55.1 -50.6 18.3 28 33 A A H > S+ 0 0 22 -5,-0.4 4,-0.5 -3,-0.3 -2,-0.2 0.622 102.8 55.0 -82.2 -17.0 53.3 -53.6 16.7 29 34 A A H X S+ 0 0 45 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.799 101.5 55.1 -82.6 -34.8 50.6 -53.0 19.3 30 35 A I H < S+ 0 0 58 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.355 108.9 51.6 -77.9 5.2 50.1 -49.3 18.3 31 36 A W H 4 S+ 0 0 0 -3,-0.2 4,-0.3 219,-0.1 -1,-0.2 0.582 105.7 51.9-114.3 -20.7 49.5 -50.6 14.8 32 37 A F H >< S+ 0 0 66 -4,-0.5 3,-1.7 2,-0.2 4,-0.4 0.949 113.4 43.4 -70.8 -58.1 46.9 -53.1 15.7 33 38 A A T 3< S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.3 -3,-0.1 0.348 114.0 57.7 -70.3 10.9 44.8 -50.5 17.6 34 39 A X T 3 S+ 0 0 33 220,-0.1 -1,-0.3 -5,-0.1 -2,-0.2 0.486 93.2 59.6-119.6 -13.0 45.6 -48.3 14.6 35 40 A A S < S+ 0 0 0 -3,-1.7 2,-0.8 -4,-0.3 -2,-0.2 0.428 93.0 87.0 -86.7 -1.6 44.1 -50.4 11.9 36 41 A I + 0 0 21 -4,-0.4 2,-0.3 4,-0.1 -1,-0.1 -0.745 57.4 110.7-105.3 85.3 40.9 -50.0 13.9 37 42 A Q S >> S- 0 0 69 -2,-0.8 3,-2.6 -3,-0.0 4,-0.6 -0.980 73.9-110.3-155.3 147.4 39.1 -46.8 12.9 38 43 A V H 3> S+ 0 0 20 -2,-0.3 4,-1.5 1,-0.3 5,-0.2 0.614 106.8 78.1 -55.6 -15.6 35.9 -46.0 11.1 39 44 A A H 3> S+ 0 0 11 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.773 99.8 44.9 -62.2 -22.4 37.8 -44.7 8.0 40 45 A I H <> S+ 0 0 12 -3,-2.6 4,-2.1 2,-0.2 5,-0.2 0.840 102.5 59.3 -96.1 -42.8 38.3 -48.3 7.1 41 46 A F H X S+ 0 0 22 -4,-0.6 4,-1.0 1,-0.2 -2,-0.2 0.974 114.3 41.2 -38.5 -61.7 34.9 -49.9 7.7 42 47 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.853 109.5 54.5 -67.6 -44.3 33.5 -47.4 5.1 43 48 A A H X S+ 0 0 5 -4,-1.1 4,-1.1 1,-0.3 -1,-0.2 0.927 113.9 43.6 -55.7 -45.3 36.3 -47.6 2.5 44 49 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.3 0.674 110.6 60.1 -76.2 -17.6 35.9 -51.4 2.4 45 50 A G H >< S+ 0 0 0 -4,-1.0 3,-1.8 -5,-0.2 -2,-0.2 0.992 106.2 40.6 -67.9 -65.8 32.2 -51.0 2.3 46 51 A Q H >< S+ 0 0 31 -4,-2.2 3,-1.6 1,-0.3 4,-0.3 0.703 101.0 73.6 -62.4 -22.6 31.7 -48.9 -0.8 47 52 A X H >X S+ 0 0 0 -4,-1.1 3,-2.4 -5,-0.3 4,-1.8 0.878 77.4 77.8 -53.9 -39.0 34.4 -51.0 -2.6 48 53 A T T << S+ 0 0 17 -3,-1.8 149,-1.9 -4,-0.6 150,-0.7 0.513 80.2 74.0 -55.1 -2.5 31.8 -53.8 -2.8 49 54 A S T <4 S+ 0 0 53 -3,-1.6 -1,-0.3 147,-0.2 150,-0.3 0.906 112.7 18.4 -74.5 -44.2 30.3 -51.7 -5.7 50 55 A S T <4 S+ 0 0 17 -3,-2.4 2,-0.3 -4,-0.3 -2,-0.2 0.674 129.9 32.4-103.9 -20.0 33.1 -52.6 -8.1 51 56 A F S < S- 0 0 20 -4,-1.8 146,-0.8 149,-0.1 147,-0.2 -0.940 79.3-102.3-138.7 157.2 34.7 -55.7 -6.5 52 57 A Q > - 0 0 63 144,-0.4 4,-1.4 -2,-0.3 3,-0.4 -0.314 45.0 -96.9 -77.7 166.8 33.7 -58.8 -4.5 53 58 A V T 4 S+ 0 0 1 139,-0.4 4,-0.3 1,-0.3 141,-0.2 0.549 123.3 49.9 -67.0 -9.7 34.5 -59.1 -0.7 54 59 A W T >> S+ 0 0 101 139,-0.4 4,-1.7 2,-0.2 3,-0.7 0.836 102.9 59.1 -90.2 -41.0 37.7 -61.1 -1.3 55 60 A Q H 3> S+ 0 0 45 -3,-0.4 4,-2.4 1,-0.3 -2,-0.2 0.848 106.7 49.7 -52.4 -37.0 39.1 -58.6 -3.8 56 61 A V H 3X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.748 106.2 54.1 -76.9 -25.4 38.8 -56.0 -1.1 57 62 A I H <> S+ 0 0 33 -3,-0.7 4,-1.4 -4,-0.3 -2,-0.2 0.728 111.7 47.1 -75.9 -21.8 40.6 -58.3 1.3 58 63 A V H X S+ 0 0 75 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.863 114.8 43.9 -82.4 -41.7 43.3 -58.5 -1.4 59 64 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.831 111.3 58.1 -68.2 -34.6 43.4 -54.7 -1.9 60 65 A I H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 3,-0.4 0.991 111.8 36.8 -56.5 -66.6 43.3 -54.3 1.9 61 66 A A H X S+ 0 0 24 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.701 116.4 59.8 -60.3 -18.2 46.5 -56.3 2.6 62 67 A A H X S+ 0 0 24 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.878 104.3 46.4 -77.5 -43.4 47.7 -54.7 -0.6 63 68 A G H >X S+ 0 0 0 -4,-2.8 4,-1.9 -3,-0.4 3,-0.5 1.000 113.9 46.7 -56.6 -68.7 47.4 -51.1 0.6 64 69 A C H 3X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.751 108.8 60.0 -44.5 -31.8 49.0 -51.9 4.0 65 70 A T H >X S+ 0 0 56 -4,-0.8 4,-1.6 -5,-0.3 3,-0.7 0.975 108.8 39.0 -63.9 -55.7 51.7 -53.7 2.0 66 71 A I H X S+ 0 0 13 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.931 106.6 56.0 -61.7 -52.0 60.2 -42.7 6.4 75 80 A Q H 3X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.820 92.2 78.1 -46.7 -36.9 60.4 -44.1 10.0 76 81 A S H 3X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.5 5,-0.3 0.821 88.1 50.8 -49.6 -52.9 64.2 -44.3 9.7 77 82 A A H - 0 0 20 -72,-0.6 4,-1.7 -2,-0.3 140,-0.1 -0.170 30.2-120.8 -63.8 168.9 58.8 -34.9 15.8 85 90 A F H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.773 121.6 60.1 -75.2 -29.0 57.2 -34.8 12.4 86 91 A T H 4 S+ 0 0 28 1,-0.2 -1,-0.2 2,-0.2 16,-0.1 0.771 110.1 42.7 -63.3 -25.0 57.0 -31.1 13.2 87 92 A V H >4 S+ 0 0 0 2,-0.1 3,-0.9 1,-0.1 -2,-0.2 0.855 113.6 45.3 -91.2 -43.3 60.8 -31.3 13.5 88 93 A A H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.698 94.0 78.9 -77.0 -18.8 61.8 -33.4 10.5 89 94 A A T 3X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.3 -1,-0.2 0.649 80.9 74.2 -60.0 -11.9 59.4 -31.5 8.2 90 95 A R T <4 S+ 0 0 19 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.1 0.357 78.2 75.0 -88.7 5.7 62.2 -28.9 8.1 91 96 A X T <4 S+ 0 0 4 -3,-1.8 -1,-0.1 7,-0.1 -2,-0.1 0.974 107.4 22.4 -82.9 -65.5 64.5 -30.9 5.9 92 97 A P T 4 S+ 0 0 0 0, 0.0 2,-0.2 0, 0.0 314,-0.2 0.879 132.9 43.6 -69.4 -36.4 63.1 -30.6 2.4 93 98 A F S < S- 0 0 4 -4,-0.9 5,-0.3 1,-0.2 309,-0.1 -0.635 101.2 -88.2-103.2 166.5 61.2 -27.4 3.4 94 99 A G - 0 0 0 3,-0.2 4,-0.3 -2,-0.2 303,-0.2 0.105 31.5-109.3 -66.1 179.6 62.5 -24.5 5.4 95 100 A I S S+ 0 0 15 301,-0.6 307,-0.1 2,-0.2 302,-0.1 0.550 126.9 27.4 -88.7 -10.1 62.5 -24.0 9.2 96 101 A R S S+ 0 0 68 305,-1.3 3,-0.2 301,-0.1 306,-0.2 0.430 126.4 49.7-117.3 -14.8 59.9 -21.4 8.7 97 102 A G S > S+ 0 0 1 304,-1.6 3,-0.8 1,-0.2 -3,-0.2 0.236 84.0 85.6-107.7 8.4 58.6 -22.9 5.6 98 103 A S T 3> S+ 0 0 2 -4,-0.3 4,-1.6 -5,-0.3 -1,-0.2 0.512 74.6 79.8 -79.6 -5.3 58.2 -26.4 6.9 99 104 A L H 3> + 0 0 51 -3,-0.2 4,-1.1 1,-0.2 5,-0.3 0.593 69.8 79.9 -80.6 -8.9 54.9 -25.2 8.1 100 105 A I H <> S+ 0 0 70 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.952 109.9 23.1 -65.0 -49.7 53.3 -25.6 4.6 101 106 A P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.902 115.8 65.9 -80.1 -39.8 52.8 -29.4 5.1 102 107 A I H < S+ 0 0 9 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.723 115.0 34.2 -52.9 -19.9 52.8 -29.2 8.9 103 108 A T H >X S+ 0 0 52 -4,-1.1 4,-0.9 2,-0.2 3,-0.8 0.856 113.1 53.9 -98.0 -54.4 49.6 -27.2 8.4 104 109 A L H 3< S+ 0 0 70 -4,-1.9 -2,-0.2 -5,-0.3 4,-0.1 0.773 117.3 45.1 -46.5 -26.5 48.0 -28.9 5.4 105 110 A K T 3X S+ 0 0 37 -4,-2.5 4,-1.0 2,-0.2 3,-0.4 0.651 104.2 57.1 -99.2 -22.2 48.5 -32.0 7.5 106 111 A A T <4 S+ 0 0 10 -3,-0.8 4,-0.3 -5,-0.3 -2,-0.2 0.466 99.9 64.6 -83.8 -0.8 47.2 -30.7 10.8 107 112 A L T X S+ 0 0 84 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.590 95.6 57.3 -92.4 -16.2 44.0 -30.0 8.8 108 113 A L H > S+ 0 0 42 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.943 100.1 54.7 -72.5 -54.6 43.5 -33.7 8.2 109 114 A S H < S+ 0 0 19 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.748 110.0 49.4 -54.1 -24.5 43.5 -34.6 11.9 110 115 A L H >> S+ 0 0 9 -4,-0.3 4,-2.2 2,-0.2 3,-2.2 0.916 108.0 51.9 -77.3 -48.0 40.7 -32.0 12.3 111 116 A F H 3X S+ 0 0 12 -4,-1.4 4,-2.6 1,-0.3 -2,-0.2 0.885 108.5 52.1 -51.9 -41.5 38.7 -33.5 9.4 112 117 A W H 3< S+ 0 0 27 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.424 108.2 53.4 -79.2 2.2 39.0 -36.9 11.1 113 118 A F H <> S+ 0 0 0 -3,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.716 108.9 45.6 -99.0 -35.2 37.7 -35.2 14.2 114 119 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.985 115.8 47.7 -62.4 -57.8 34.6 -33.8 12.5 115 120 A F H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.637 116.7 45.6 -57.6 -15.6 34.1 -37.2 10.8 116 121 A Q H >> S+ 0 0 19 -5,-0.2 3,-1.2 2,-0.2 4,-1.0 0.823 108.0 50.3-101.0 -37.1 34.6 -38.9 14.2 117 122 A T H 3X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.752 100.5 71.9 -66.2 -23.5 32.4 -36.7 16.5 118 123 A W H 3X S+ 0 0 16 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.689 98.7 43.9 -66.2 -23.2 29.8 -37.3 13.8 119 124 A L H <> S+ 0 0 1 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.652 102.6 65.5 -92.0 -24.5 29.5 -41.0 15.0 120 125 A G H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.884 109.1 42.3 -56.6 -38.0 29.5 -39.8 18.6 121 126 A A H X S+ 0 0 0 -4,-1.5 4,-3.9 2,-0.2 5,-0.5 0.981 110.2 51.3 -72.0 -62.5 26.2 -38.2 17.5 122 127 A L H X S+ 0 0 20 -4,-1.6 4,-0.9 1,-0.3 -1,-0.2 0.801 119.5 42.3 -42.8 -30.2 24.9 -41.2 15.4 123 128 A A H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.765 115.7 44.7 -93.3 -31.1 25.7 -43.1 18.6 124 129 A L H < S+ 0 0 24 -4,-1.8 4,-0.3 -3,-0.4 -2,-0.2 0.766 121.0 43.4 -76.8 -26.1 24.4 -40.6 21.2 125 130 A D H X S+ 0 0 10 -4,-3.9 4,-1.2 2,-0.2 -2,-0.2 0.708 109.0 54.0 -94.1 -25.5 21.3 -40.2 19.0 126 131 A E H X S+ 0 0 27 -4,-0.9 4,-1.2 -5,-0.5 -3,-0.2 0.807 109.4 50.3 -76.7 -30.4 20.6 -43.8 18.1 127 132 A I H < S+ 0 0 20 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.680 117.2 40.3 -79.3 -18.8 20.6 -44.6 21.9 128 133 A T H 4 S+ 0 0 26 -4,-0.3 6,-0.7 3,-0.1 4,-0.4 0.559 114.6 49.5-106.2 -14.0 18.2 -41.8 22.6 129 134 A R H X S+ 0 0 106 -4,-1.2 4,-1.3 4,-0.2 -2,-0.2 0.698 109.5 52.5 -93.3 -26.4 15.9 -42.3 19.5 130 135 A L T < S+ 0 0 44 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.014 119.4 39.3 -86.5 25.3 15.7 -46.0 20.3 131 136 A L T 4 S+ 0 0 120 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.370 139.4 8.1-143.9 -16.1 14.7 -44.7 23.8 132 137 A T T 4 S- 0 0 97 -4,-0.4 -3,-0.2 2,-0.2 -2,-0.2 0.226 88.5-125.9-155.2 5.4 12.5 -41.7 23.0 133 138 A G S < S+ 0 0 61 -4,-1.3 2,-0.3 1,-0.2 -4,-0.2 0.477 71.3 125.2 56.7 1.4 12.1 -42.0 19.2 134 139 A F - 0 0 87 -6,-0.7 2,-0.4 2,-0.0 -2,-0.2 -0.718 45.2-158.4 -93.7 145.0 13.3 -38.4 19.0 135 140 A T + 0 0 94 -2,-0.3 2,-0.2 -3,-0.1 -9,-0.1 -0.974 22.1 165.5-133.6 122.7 16.2 -37.6 16.7 136 141 A N > + 0 0 63 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.614 2.2 173.3-136.0 77.1 18.6 -34.6 16.8 137 142 A L H > S+ 0 0 65 1,-0.2 4,-1.7 -2,-0.2 -1,-0.1 0.913 82.0 41.2 -44.1 -59.2 21.7 -35.3 14.7 138 143 A P H > S+ 0 0 79 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.697 107.7 59.0 -74.9 -23.8 23.2 -31.7 15.0 139 144 A L H >> S+ 0 0 72 -3,-0.4 4,-2.7 2,-0.2 3,-0.5 0.945 111.5 43.1 -64.0 -47.7 22.4 -31.2 18.7 140 145 A W H 3X S+ 0 0 34 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.848 106.7 60.5 -65.6 -36.5 24.5 -34.2 19.5 141 146 A I H 3X S+ 0 0 18 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.813 114.3 38.1 -58.6 -28.9 27.2 -33.1 17.0 142 147 A V H << S+ 0 0 88 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.808 111.7 54.4 -94.4 -35.3 27.5 -30.0 19.2 143 148 A I H >X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.2 3,-0.5 0.868 115.7 42.7 -62.5 -35.0 27.1 -31.7 22.6 144 149 A F H 3X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.829 107.8 58.8 -78.6 -36.2 29.9 -34.0 21.7 145 150 A G H 3< S+ 0 0 12 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.336 112.6 43.0 -74.3 7.1 31.9 -31.1 20.2 146 151 A A H <> S+ 0 0 51 -3,-0.5 4,-1.2 2,-0.1 -2,-0.2 0.683 106.4 56.5-113.4 -47.8 31.7 -29.6 23.6 147 152 A I H >X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.2 3,-1.1 0.933 106.0 52.8 -49.2 -55.2 32.4 -32.6 25.9 148 153 A Q H 3X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.3 -1,-0.2 0.927 104.2 55.5 -45.2 -57.1 35.7 -33.2 24.1 149 154 A V H 3> S+ 0 0 15 1,-0.2 4,-0.6 -5,-0.2 -1,-0.3 0.763 110.9 45.5 -53.1 -30.1 36.9 -29.6 24.6 150 155 A V H XX S+ 0 0 90 -4,-1.2 4,-1.4 -3,-1.1 3,-0.8 0.921 111.3 47.8 -82.0 -46.9 36.4 -29.9 28.4 151 156 A T H 3< S+ 0 0 33 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.458 100.3 75.4 -72.9 0.0 38.0 -33.3 29.0 152 157 A T H 3< S+ 0 0 27 -4,-0.8 3,-0.4 -5,-0.3 -1,-0.2 0.888 102.1 33.8 -75.7 -43.7 40.9 -32.0 26.9 153 158 A F H << S+ 0 0 43 -3,-0.8 -2,-0.2 -4,-0.6 2,-0.2 0.854 133.3 28.3 -80.1 -37.5 42.2 -29.7 29.6 154 159 A Y S < S+ 0 0 160 -4,-1.4 2,-0.3 2,-0.0 -1,-0.2 -0.492 77.3 163.4-129.3 63.3 41.4 -32.0 32.6 155 160 A G - 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