==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-OCT-05 2C44 . COMPND 2 MOLECULE: TRYPTOPHANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.-Y.KU,P.YIP,P.L.HOWELL . 1867 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1363 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 4 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 . 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 . 122 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 232 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 631 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.5 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 8 0 4 0 4 4 4 8 0 8 12 1 3 0 0 0 8 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 12 4 8 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 . 16 0 6 2 12 0 2 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 . 8 0 6 0 0 4 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 5 A K 0 0 130 0, 0.0 2,-0.6 0, 0.0 335,-0.1 0.000 360.0 360.0 360.0 139.3 252.1 67.0 -54.6 2 6 A H - 0 0 12 333,-0.1 331,-0.1 334,-0.1 327,-0.1 -0.765 360.0-126.3 -84.0 118.7 254.3 69.6 -52.9 3 7 A L - 0 0 72 -2,-0.6 2,-0.2 326,-0.2 1359,-0.1 -0.322 24.6-103.6 -68.8 153.7 252.5 73.0 -53.4 4 8 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 325,-0.0 -0.546 48.8 -90.3 -76.6 143.2 254.5 75.9 -55.0 5 9 A E - 0 0 1 -2,-0.2 2,-0.8 1,-0.2 1355,-0.1 -0.295 25.7-145.0 -56.2 124.0 255.6 78.5 -52.5 6 10 A P S S+ 0 0 20 0, 0.0 945,-2.3 0, 0.0 2,-0.3 -0.132 80.9 52.7 -82.9 41.6 252.9 81.2 -52.1 7 11 A F E S-A 950 0A 4 -2,-0.8 2,-0.4 943,-0.3 -2,-0.1 -0.984 80.6-114.5-165.4 163.8 255.9 83.6 -51.7 8 12 A R E -A 949 0A 12 941,-2.6 941,-2.4 -2,-0.3 2,-0.4 -0.877 35.0-114.6-108.3 140.7 259.1 84.9 -53.1 9 13 A I E +A 948 0A 2 1349,-2.2 939,-0.2 -2,-0.4 3,-0.1 -0.608 38.3 170.4 -74.7 128.2 262.5 84.3 -51.3 10 14 A R E + 0 0 17 937,-2.9 981,-2.0 -2,-0.4 2,-0.4 0.743 60.8 24.1-109.9 -35.9 263.9 87.7 -50.3 11 15 A V E -Ab 947 991A 5 936,-1.6 935,-3.0 979,-0.2 936,-1.7 -0.999 65.3-169.4-137.2 136.0 266.9 87.0 -48.0 12 16 A I E -Ab 945 992A 5 979,-2.5 981,-1.4 -2,-0.4 933,-0.2 -0.903 15.6-147.6-126.9 154.9 269.1 83.9 -47.8 13 17 A E E -A 944 0A 2 931,-2.7 931,-2.9 -2,-0.3 979,-0.1 -0.966 26.8-129.1-121.2 112.4 271.7 82.5 -45.4 14 18 A P E -A 943 0A 72 0, 0.0 2,-0.3 0, 0.0 929,-0.3 -0.253 24.7-163.1 -60.2 145.8 274.5 80.5 -47.1 15 19 A V - 0 0 25 927,-1.9 2,-0.1 29,-0.0 28,-0.1 -0.938 7.0-133.3-130.4 156.3 275.3 77.0 -45.6 16 20 A K - 0 0 128 -2,-0.3 2,-0.3 26,-0.3 927,-0.0 -0.428 8.6-133.5-104.3 176.4 278.2 74.7 -46.0 17 21 A R - 0 0 125 -2,-0.1 2,-0.3 26,-0.0 25,-0.1 -0.779 15.7-160.3-122.6 168.3 278.8 71.0 -46.6 18 22 A T - 0 0 37 -2,-0.3 2,-0.2 367,-0.1 23,-0.0 -0.895 20.8-103.3-142.4 172.7 281.1 68.4 -44.9 19 23 A T > - 0 0 87 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.656 28.2-117.8 -99.3 157.2 282.6 65.0 -45.6 20 24 A R H > S+ 0 0 114 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 116.4 54.6 -56.4 -45.8 281.5 61.7 -44.2 21 25 A A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 108.3 49.6 -55.3 -44.8 284.8 61.2 -42.5 22 26 A Y H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 110.8 48.1 -62.9 -45.5 284.3 64.6 -40.8 23 27 A R H X S+ 0 0 22 -4,-2.3 4,-3.6 1,-0.2 5,-0.3 0.930 107.0 56.2 -61.9 -45.5 280.8 63.8 -39.6 24 28 A E H X S+ 0 0 59 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.899 112.4 42.7 -53.6 -42.1 281.9 60.4 -38.2 25 29 A E H X S+ 0 0 65 -4,-1.7 4,-2.3 -5,-0.2 3,-0.5 0.954 116.2 49.2 -68.4 -48.0 284.5 62.2 -36.1 26 30 A A H X S+ 0 0 14 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.878 105.5 55.2 -58.7 -45.3 282.1 65.0 -35.1 27 31 A I H <>S+ 0 0 1 -4,-3.6 5,-2.3 1,-0.2 6,-0.4 0.816 111.4 45.1 -62.7 -30.0 279.2 62.8 -34.1 28 32 A I H ><5S+ 0 0 116 -4,-1.0 3,-2.7 -3,-0.5 -1,-0.2 0.920 108.8 54.5 -79.4 -42.5 281.4 60.9 -31.6 29 33 A K H 3<5S+ 0 0 187 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.838 105.3 57.2 -57.9 -28.4 282.9 64.1 -30.2 30 34 A S T ><5S- 0 0 6 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.3 0.300 119.2-113.1 -85.8 11.3 279.3 65.2 -29.6 31 35 A G T < 5 - 0 0 9 -3,-2.7 433,-3.4 1,-0.2 -3,-0.2 0.855 65.9 -65.2 61.9 34.5 278.8 62.1 -27.5 32 36 A M T 3 S+ 0 0 2 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.768 89.8 72.4 -47.0 -32.7 273.1 65.8 -32.3 35 39 A F G 3 S+ 0 0 15 1,-0.3 504,-0.1 424,-0.2 425,-0.1 0.775 96.7 51.7 -56.4 -25.5 272.1 68.6 -29.8 36 40 A L G < S+ 0 0 36 -3,-3.1 -1,-0.3 -6,-0.3 2,-0.1 0.404 87.0 107.3 -94.4 3.3 275.8 69.0 -29.2 37 41 A L S < S- 0 0 4 -3,-2.3 2,-0.2 -4,-0.2 5,-0.1 -0.477 76.3-107.3 -79.6 151.2 276.8 69.3 -32.9 38 42 A D > - 0 0 53 -2,-0.1 3,-1.7 1,-0.1 501,-0.2 -0.548 21.0-125.2 -78.5 144.7 277.9 72.7 -34.2 39 43 A S G > S+ 0 0 7 500,-2.5 3,-2.1 1,-0.3 501,-0.2 0.910 110.3 56.9 -53.4 -47.0 275.4 74.5 -36.5 40 44 A E G 3 S+ 0 0 88 499,-0.5 -1,-0.3 1,-0.3 -24,-0.1 0.592 98.1 62.1 -64.6 -9.7 278.1 74.9 -39.2 41 45 A D G < S+ 0 0 23 -3,-1.7 2,-0.5 -23,-0.0 -1,-0.3 0.276 93.1 81.6 -97.2 11.2 278.5 71.1 -39.2 42 46 A V < - 0 0 10 -3,-2.1 -26,-0.3 1,-0.2 3,-0.2 -0.971 52.2-175.2-121.7 128.2 274.9 70.7 -40.3 43 47 A F S S+ 0 0 10 343,-2.0 2,-0.6 -2,-0.5 344,-0.2 0.939 87.4 19.7 -81.5 -56.1 273.7 71.0 -43.9 44 48 A I E S-d 387 0B 0 342,-1.2 344,-2.1 341,-0.1 2,-1.1 -0.943 78.6-155.8-120.0 107.1 270.0 70.6 -43.2 45 49 A D E +d 388 0B 9 -2,-0.6 3,-0.4 -3,-0.2 344,-0.1 -0.702 27.2 159.8 -90.1 96.4 269.1 71.3 -39.6 46 50 A L + 0 0 0 342,-1.8 371,-1.5 -2,-1.1 344,-0.4 0.080 36.8 118.5-100.4 21.9 265.9 69.5 -38.7 47 51 A L S S- 0 0 1 342,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.881 87.6 -27.6 -54.4 -42.4 266.6 69.7 -34.9 48 52 A T - 0 0 17 -3,-0.4 -1,-0.2 369,-0.2 489,-0.1 -0.978 40.6-131.9-170.2 160.4 263.5 71.8 -34.4 49 53 A D S > S+ 0 0 1 -2,-0.3 2,-0.9 -3,-0.1 3,-0.5 0.368 71.1 118.9 -99.5 2.7 261.1 74.3 -35.9 50 54 A S T 3 S- 0 0 7 1,-0.2 216,-0.2 2,-0.1 215,-0.1 -0.603 95.8 -24.6 -79.0 104.9 261.4 76.5 -32.8 51 55 A G T 3 S+ 0 0 4 214,-3.2 -1,-0.2 -2,-0.9 215,-0.1 0.620 116.4 97.8 71.5 15.9 262.8 79.9 -33.7 52 56 A T < + 0 0 9 -3,-0.5 -2,-0.1 213,-0.3 483,-0.1 0.458 58.7 94.1-112.4 -4.9 264.6 78.6 -36.8 53 57 A G S S- 0 0 13 -4,-0.5 368,-0.2 212,-0.3 2,-0.1 -0.156 77.4 -90.5 -83.4-179.3 262.1 79.5 -39.5 54 58 A A - 0 0 1 366,-2.8 2,-0.3 216,-0.1 893,-0.2 -0.345 32.7-140.9 -85.2 168.0 261.9 82.4 -41.9 55 59 A V E -c 947 0A 16 891,-1.7 893,-2.9 -2,-0.1 2,-0.2 -0.788 17.6-111.6-123.4 168.4 260.0 85.7 -41.3 56 60 A T E > -c 948 0A 4 -2,-0.3 4,-2.4 891,-0.2 5,-0.2 -0.554 31.0-107.0 -97.4 166.1 258.0 87.9 -43.6 57 61 A Q H > S+ 0 0 15 891,-1.2 4,-3.1 1,-0.2 5,-0.2 0.933 121.1 55.0 -56.5 -45.9 258.9 91.4 -44.8 58 62 A S H > S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 109.3 48.1 -55.0 -39.3 256.2 92.8 -42.5 59 63 A M H > S+ 0 0 0 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.926 112.2 46.5 -69.0 -45.4 257.7 91.0 -39.6 60 64 A Q H < S+ 0 0 27 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.892 113.8 51.0 -63.9 -37.1 261.2 92.2 -40.3 61 65 A A H >< S+ 0 0 0 -4,-3.1 3,-1.6 -5,-0.2 4,-0.3 0.908 106.3 53.7 -65.1 -42.8 259.8 95.7 -40.8 62 66 A A H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.868 98.3 64.4 -59.5 -38.4 258.0 95.6 -37.5 63 67 A M T 3< S+ 0 0 29 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.718 96.3 61.1 -58.7 -19.8 261.3 94.7 -35.8 64 68 A M T < S+ 0 0 18 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.559 101.3 49.7 -86.4 -9.8 262.5 98.1 -36.9 65 69 A R S < S+ 0 0 61 -3,-1.9 -1,-0.2 -4,-0.3 2,-0.2 -0.222 74.1 144.7-126.0 48.4 260.0 100.2 -35.0 66 70 A G - 0 0 2 -3,-0.5 2,-0.8 1395,-0.1 243,-0.2 -0.559 47.6-132.8 -89.3 150.3 260.0 99.0 -31.4 67 71 A D - 0 0 1 241,-0.2 8,-0.3 -2,-0.2 9,-0.2 -0.887 16.9-164.5 -99.9 104.2 259.5 101.1 -28.3 68 72 A E + 0 0 27 -2,-0.8 -1,-0.1 451,-0.1 452,-0.1 0.195 35.1 145.4 -77.1 17.6 262.3 99.9 -26.0 69 73 A A - 0 0 4 1,-0.1 4,-0.3 3,-0.1 3,-0.1 -0.214 52.5-136.7 -56.0 146.2 260.7 101.5 -23.0 70 74 A Y S S+ 0 0 16 1,-0.2 2,-0.4 445,-0.1 232,-0.3 0.802 87.9 27.1 -75.2 -29.2 261.3 99.5 -19.8 71 75 A S S S+ 0 0 0 1,-0.1 -1,-0.2 230,-0.1 432,-0.1 -0.997 125.1 4.2-137.7 140.9 257.6 100.0 -18.7 72 76 A G S S- 0 0 4 -2,-0.4 434,-2.5 433,-0.2 435,-0.5 0.779 75.2-174.8 61.2 31.2 254.4 100.6 -20.6 73 77 A S >> - 0 0 0 -4,-0.3 4,-1.4 229,-0.2 3,-0.6 -0.271 30.9-135.3 -58.2 139.0 255.9 100.2 -24.0 74 78 A R H 3> S+ 0 0 61 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.764 108.5 63.2 -67.4 -22.4 253.5 101.0 -26.9 75 79 A S H 3> S+ 0 0 0 -8,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.853 98.7 54.6 -68.4 -33.2 255.0 97.8 -28.5 76 80 A Y H <> S+ 0 0 17 -3,-0.6 4,-3.0 1,-0.2 -2,-0.2 0.938 107.9 48.3 -63.3 -47.7 253.6 95.9 -25.5 77 81 A Y H X S+ 0 0 99 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.831 107.1 56.7 -62.8 -32.3 250.1 97.3 -26.2 78 82 A A H X S+ 0 0 30 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.946 110.6 43.7 -63.5 -46.2 250.5 96.4 -29.9 79 83 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.941 112.5 52.7 -63.4 -47.3 251.1 92.8 -28.9 80 84 A A H X S+ 0 0 20 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.886 107.5 52.1 -56.1 -41.9 248.3 92.9 -26.4 81 85 A E H X S+ 0 0 59 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.917 108.0 51.1 -63.0 -42.3 245.9 94.2 -29.1 82 86 A S H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.914 111.0 48.9 -60.3 -43.0 246.8 91.3 -31.4 83 87 A V H X>S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 5,-1.1 0.916 111.4 49.7 -63.7 -42.6 246.2 88.8 -28.6 84 88 A K H X5S+ 0 0 44 -4,-2.5 4,-0.5 4,-0.2 -2,-0.2 0.920 115.9 41.3 -63.8 -43.6 242.8 90.4 -27.9 85 89 A N H <5S+ 0 0 54 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.803 123.2 37.7 -76.3 -28.5 241.7 90.4 -31.5 86 90 A I H <5S+ 0 0 7 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.934 135.4 15.5 -87.1 -52.0 243.0 86.9 -32.4 87 91 A F H <5S- 0 0 4 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.633 93.2-126.3 -97.7 -16.9 242.3 84.9 -29.2 88 92 A G << + 0 0 30 -5,-1.1 2,-0.4 -4,-0.5 -4,-0.2 0.713 58.8 146.6 77.8 19.6 239.9 87.2 -27.5 89 93 A Y - 0 0 1 -6,-1.0 -1,-0.3 1,-0.1 190,-0.2 -0.780 37.5-160.6 -95.0 132.5 242.0 87.3 -24.3 90 94 A Q S S+ 0 0 68 189,-1.9 2,-0.5 -2,-0.4 189,-0.2 0.663 70.6 62.1 -86.1 -19.4 242.1 90.5 -22.3 91 95 A Y E -E 278 0C 43 187,-2.2 187,-1.7 -8,-0.1 2,-0.4 -0.941 62.0-178.1-117.3 125.9 245.2 90.0 -20.2 92 96 A T E +E 277 0C 3 -2,-0.5 185,-0.2 185,-0.2 -12,-0.1 -0.963 13.9 176.6-127.5 137.2 248.7 89.6 -21.8 93 97 A I E -E 276 0C 0 183,-1.5 183,-2.0 -2,-0.4 2,-0.2 -0.966 23.3-143.6-134.3 114.1 252.2 89.1 -20.4 94 98 A P E -E 275 0C 0 0, 0.0 2,-0.3 0, 0.0 181,-0.2 -0.500 18.3-174.8 -77.8 150.2 255.0 88.7 -22.8 95 99 A T E -E 274 0C 0 179,-1.8 179,-1.9 -2,-0.2 210,-0.2 -0.941 38.7-113.3-136.9 158.0 257.8 86.2 -22.0 96 100 A H S S- 0 0 0 208,-0.7 177,-1.4 -2,-0.3 2,-0.3 0.865 89.3 -34.6 -64.6 -30.1 261.0 85.6 -23.9 97 101 A Q S >> S- 0 0 2 175,-0.2 4,-1.2 1,-0.1 3,-1.1 -0.964 78.7 -59.2-169.8-174.1 259.7 82.1 -24.8 98 102 A G H >> S+ 0 0 12 175,-0.3 4,-1.9 -2,-0.3 3,-1.5 0.916 123.7 43.9 -45.2 -67.0 257.8 79.0 -23.9 99 103 A R H 3> S+ 0 0 18 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.642 105.6 68.2 -60.4 -11.9 259.5 77.8 -20.8 100 104 A G H <4 S+ 0 0 0 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.882 105.4 38.9 -73.6 -38.1 259.5 81.4 -19.6 101 105 A A H XX S+ 0 0 0 -3,-1.5 4,-2.4 -4,-1.2 3,-1.2 0.853 113.3 56.3 -78.0 -37.0 255.7 81.3 -19.3 102 106 A E H 3X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.3 -2,-0.2 0.927 100.5 56.8 -61.4 -46.4 255.7 77.8 -17.9 103 107 A Q H 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.554 114.7 42.8 -64.2 -4.8 258.0 78.7 -15.0 104 108 A I H <> S+ 0 0 0 -3,-1.2 4,-1.9 3,-0.1 -2,-0.2 0.835 114.8 39.3-105.2 -58.7 255.5 81.3 -14.1 105 109 A Y H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.868 109.8 60.3 -65.1 -35.9 252.0 79.9 -14.3 106 110 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 5,-0.2 0.954 109.7 40.1 -57.6 -53.6 252.8 76.5 -12.9 107 111 A P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.943 118.4 50.0 -60.8 -43.9 254.0 77.8 -9.5 108 112 A V H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.929 111.9 45.4 -60.1 -49.1 251.2 80.3 -9.5 109 113 A L H X S+ 0 0 2 -4,-3.5 4,-2.0 2,-0.2 5,-0.2 0.881 111.8 52.7 -65.3 -37.8 248.4 77.9 -10.3 110 114 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.964 109.7 47.0 -62.4 -51.5 249.7 75.3 -7.8 111 115 A K H X S+ 0 0 42 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.887 109.1 59.4 -56.7 -37.5 249.8 77.8 -4.9 112 116 A K H X S+ 0 0 52 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.953 107.5 40.5 -57.1 -57.5 246.3 78.9 -6.0 113 117 A R H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 6,-1.7 0.782 114.1 56.9 -65.5 -24.3 244.5 75.5 -5.6 114 118 A E H X S+ 0 0 83 -4,-1.7 4,-0.9 4,-0.3 -2,-0.2 0.956 113.0 38.1 -70.0 -48.6 246.6 75.0 -2.4 115 119 A Q H < S+ 0 0 89 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.797 127.8 36.0 -72.2 -27.4 245.3 78.2 -0.8 116 120 A E H < S+ 0 0 105 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.887 132.8 15.5 -94.6 -44.7 241.7 77.8 -2.2 117 121 A K H < S- 0 0 57 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.295 101.8-106.5-116.3 10.0 240.9 74.1 -2.2 118 122 A G < - 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0 0 13 -19,-0.1 2,-0.9 -255,-0.1 -255,-0.0 -0.953 56.7-136.2-166.6 145.4 275.4 137.8 -52.7 1816 416 D E + 0 0 13 -2,-0.3 -51,-1.4 -19,-0.2 -52,-1.2 -0.834 40.8 175.0-106.2 93.9 278.5 135.8 -51.6 1817 417 D L E -GH17631796b 1 -21,-1.2 -21,-3.5 -2,-0.9 2,-0.6 -0.796 29.7-149.0-107.3 143.4 277.1 133.4 -49.0 1818 418 D L E -GH17621795b 0 -56,-3.0 -56,-2.9 -2,-0.3 2,-0.7 -0.948 24.9-145.3-106.2 117.1 278.7 130.5 -47.1 1819 419 D R E -GH17611794b 29 -25,-3.3 -25,-1.6 -2,-0.6 2,-1.4 -0.762 14.9-165.5 -95.3 114.5 276.0 127.9 -46.4 1820 420 D L E -G 1760 0b 0 -60,-3.2 -60,-1.6 -2,-0.7 2,-0.3 -0.685 23.3-161.7 -92.5 78.9 276.2 126.0 -43.2 1821 421 D T E -G 1759 0b 0 -371,-1.5 -369,-0.2 -2,-1.4 -62,-0.2 -0.487 4.4-148.5 -68.7 126.6 273.7 123.3 -44.3 1822 422 D I - 0 0 0 -64,-2.5 -369,-0.1 -2,-0.3 -372,-0.1 -0.838 8.7-138.1-102.9 108.2 272.2 121.4 -41.4 1823 423 D P >> - 0 0 2 0, 0.0 3,-1.1 0, 0.0 4,-0.6 -0.325 40.0 -92.5 -60.0 144.4 271.3 117.7 -42.1 1824 424 D R T 34 S- 0 0 5 -371,-0.4 -366,-2.8 1,-0.3 -66,-0.0 -0.382 95.7 -14.4 -66.7 130.8 267.9 116.9 -40.5 1825 425 D A T 34 S+ 0 0 1 -368,-0.2 -1,-0.3 -2,-0.2 -366,-0.1 0.834 107.3 108.3 46.7 44.0 268.0 115.4 -37.0 1826 426 D T T <4 + 0 0 1 -3,-1.1 -1350,-2.2 1,-0.2 2,-0.3 0.771 68.6 39.1-113.1 -42.8 271.7 114.6 -37.3 1827 427 D Y S < S- 0 0 3 -4,-0.6 -1,-0.2 -1352,-0.2 2,-0.1 -0.739 70.3-134.1-113.0 161.3 273.5 117.1 -35.0 1828 428 D T > - 0 0 0 -2,-0.3 4,-1.9 -1356,-0.1 3,-0.3 -0.412 34.4 -94.4-105.6-179.8 272.7 118.5 -31.6 1829 429 D Q H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.828 123.9 60.6 -62.8 -32.2 272.7 121.9 -29.9 1830 430 D T H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 103.7 49.3 -63.6 -38.2 276.2 121.1 -28.7 1831 431 D H H > S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.915 108.1 53.8 -66.3 -42.3 277.4 120.8 -32.3 1832 432 D M H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.941 110.1 47.3 -55.8 -47.8 275.7 124.2 -33.0 1833 433 D D H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.866 109.8 54.1 -61.0 -37.5 277.7 125.7 -30.2 1834 434 D F H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.916 109.0 48.2 -62.6 -44.1 280.8 124.0 -31.5 1835 435 D I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.928 111.8 49.1 -62.7 -46.0 280.2 125.6 -34.9 1836 436 D I H X S+ 0 0 11 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.911 109.9 51.6 -60.4 -42.9 279.6 129.0 -33.3 1837 437 D E H >X S+ 0 0 89 -4,-2.5 4,-0.9 1,-0.2 3,-0.8 0.896 107.1 54.1 -61.2 -40.5 282.8 128.7 -31.3 1838 438 D A H >X S+ 0 0 5 -4,-2.1 4,-1.8 1,-0.3 3,-0.9 0.919 103.1 56.3 -60.5 -44.5 284.7 127.8 -34.5 1839 439 D F H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 -1,-0.3 0.721 92.9 69.4 -63.6 -19.9 283.5 131.0 -36.2 1840 440 D K H < S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 4,-0.3 0.927 111.2 46.0 -56.5 -45.7 287.4 132.4 -38.3 1843 443 D K H >< S+ 0 0 87 -4,-2.7 3,-2.1 1,-0.3 4,-0.4 0.944 105.7 59.2 -62.0 -48.9 286.2 136.0 -37.7 1844 444 D E H 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.610 115.2 37.8 -57.2 -11.2 289.4 136.8 -35.7 1845 445 D N T X< S+ 0 0 52 -3,-1.1 3,-1.7 -4,-0.6 4,-0.3 0.306 81.5 112.5-123.0 6.8 291.3 135.9 -38.9 1846 446 D A G X S+ 0 0 13 -3,-2.1 3,-2.4 -4,-0.3 -2,-0.1 0.904 72.2 57.8 -44.4 -58.9 289.0 137.3 -41.6 1847 447 D S G 3 S+ 0 0 80 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.669 106.0 51.7 -50.6 -21.4 291.3 140.1 -42.7 1848 448 D N G < S+ 0 0 119 -3,-1.7 2,-0.4 2,-0.1 -1,-0.3 0.401 78.2 115.4-100.4 2.8 294.0 137.5 -43.6 1849 449 D I < - 0 0 10 -3,-2.4 2,-0.3 -4,-0.3 -68,-0.1 -0.622 58.9-138.3 -79.1 127.4 292.0 135.2 -45.7 1850 450 D K - 0 0 57 -2,-0.4 -79,-0.1 20,-0.2 -2,-0.1 -0.632 14.3-113.7 -89.6 140.4 293.3 135.1 -49.4 1851 451 D G - 0 0 6 -2,-0.3 2,-0.2 -81,-0.1 -75,-0.2 -0.092 32.9-131.1 -62.3 166.6 291.1 135.0 -52.5 1852 452 D L - 0 0 8 -77,-2.4 2,-0.3 18,-0.2 18,-0.2 -0.738 18.7-169.7-119.5 169.4 291.1 131.9 -54.7 1853 453 D T E -J 1869 0d 71 16,-1.2 16,-2.6 -2,-0.2 -78,-0.1 -0.975 31.6 -87.0-157.9 146.6 291.4 131.2 -58.5 1854 454 D F E +J 1868 0d 46 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.087 34.5 164.2 -57.9 149.7 291.0 128.2 -60.8 1855 455 D T E S+ 0 0 86 12,-2.2 2,-0.3 1,-0.3 13,-0.2 0.288 87.4 18.0-134.7 -17.0 293.6 125.6 -61.7 1856 456 D Y E S+J 1867 0d 71 11,-1.5 11,-2.0 -421,-0.1 -1,-0.3 -0.823 70.4 178.9-160.4 116.3 291.0 123.2 -63.1 1857 457 D E - 0 0 58 -2,-0.3 6,-0.1 9,-0.2 5,-0.1 -0.943 19.1-141.5-130.6 115.5 287.5 124.2 -64.1 1858 458 D P - 0 0 8 0, 0.0 4,-0.3 0, 0.0 3,-0.1 -0.223 19.7-126.4 -65.0 159.8 284.8 121.9 -65.6 1859 459 D K S S+ 0 0 114 1,-0.1 2,-0.4 2,-0.1 3,-0.1 0.770 92.7 39.9 -80.1 -25.6 282.6 123.2 -68.4 1860 460 D V S S- 0 0 35 1,-0.2 -1,-0.1 2,-0.1 -629,-0.1 -0.971 128.7 -7.3-127.7 141.3 279.3 122.3 -66.6 1861 461 D L S > S+ 0 0 26 -2,-0.4 3,-1.6 -324,-0.1 4,-0.4 0.861 76.2 178.8 43.1 46.2 278.4 122.6 -62.9 1862 462 D R G >> + 0 0 10 -4,-0.3 4,-1.6 1,-0.3 3,-1.1 0.760 61.2 72.0 -45.6 -43.2 282.0 123.6 -62.2 1863 463 D H G 34 S+ 0 0 11 -64,-0.3 -1,-0.3 1,-0.2 -424,-0.2 0.720 89.0 63.2 -53.5 -25.5 281.7 124.1 -58.4 1864 464 D F G <4 S+ 0 0 14 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 123.3 8.5 -71.1 -36.1 281.4 120.4 -57.7 1865 465 D T T <4 S+ 0 0 5 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.300 93.6 121.5-130.7 11.1 284.8 119.2 -58.9 1866 466 D A < - 0 0 0 -4,-1.6 2,-0.4 -9,-0.1 -9,-0.2 -0.282 47.3-145.5 -72.4 160.8 286.8 122.3 -59.7 1867 467 D K E -J 1856 0d 81 -11,-2.0 -12,-2.2 -431,-0.1 -11,-1.5 -0.983 15.5-171.2-128.5 141.7 290.2 122.9 -58.0 1868 468 D L E -J 1854 0d 5 -433,-3.8 2,-0.3 -2,-0.4 -14,-0.2 -0.816 5.3-154.4-128.7 170.4 291.6 126.3 -57.0 1869 469 D K E J 1853 0d 149 -16,-2.6 -16,-1.2 -2,-0.3 -437,-0.0 -0.829 360.0 360.0-137.7 173.8 294.8 127.8 -55.7 1870 470 D E 0 0 136 -2,-0.3 -18,-0.2 -18,-0.2 -20,-0.2 -0.264 360.0 360.0 64.4 360.0 296.1 130.8 -53.7