==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-11 3TG0 . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.BOBYR,J.K.LASSILA,H.I.WIERSMA-KOCH,T.D.FENN,J.J.LEE,I.NIKO . 1763 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1170 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 188 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 97 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.4 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 3 4 17 4 0 4 5 7 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 0 4 12 0 10 2 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 . 21 9 8 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 9 A N 0 0 159 0, 0.0 64,-0.0 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 123.7 -0.8 11.8 62.5 2 10 A R + 0 0 42 15,-0.1 2,-0.1 2,-0.0 15,-0.1 -0.014 360.0 127.0-126.0 28.0 0.6 9.3 65.1 3 11 A A S S- 0 0 32 1,-0.1 59,-0.2 13,-0.1 60,-0.1 -0.479 75.1 -79.4 -74.0 156.2 1.5 11.7 67.9 4 12 A A - 0 0 23 57,-3.1 12,-0.2 -2,-0.1 10,-0.2 -0.289 42.1-121.6 -52.4 140.4 0.2 11.1 71.4 5 13 A Q - 0 0 120 10,-1.8 9,-0.2 7,-0.3 8,-0.1 0.838 63.6 -72.8 -58.6 -41.2 -3.4 12.2 71.8 6 14 A G S S+ 0 0 46 7,-2.7 2,-1.0 4,-0.1 -2,-0.1 -0.460 104.0 35.9-174.8-110.9 -2.9 14.6 74.6 7 15 A D > - 0 0 92 1,-0.2 3,-2.1 -2,-0.1 6,-0.3 -0.665 56.4-161.6 -81.3 102.5 -2.1 14.4 78.3 8 16 A I T 3 S+ 0 0 30 -2,-1.0 539,-0.5 1,-0.3 6,-0.2 0.610 87.4 61.4 -64.5 -13.5 0.3 11.4 78.6 9 17 A T T 3 S+ 0 0 25 4,-0.1 548,-0.3 537,-0.1 -1,-0.3 0.570 96.7 74.0 -82.2 -14.4 -0.4 11.2 82.4 10 18 A A S X S- 0 0 33 -3,-2.1 3,-2.2 1,-0.1 4,-0.3 -0.670 100.6 -80.0-101.3 156.0 -4.2 10.5 81.8 11 19 A P T 3 S+ 0 0 69 0, 0.0 535,-0.2 0, 0.0 -4,-0.1 -0.285 116.7 2.5 -55.2 130.1 -6.0 7.4 80.5 12 20 A G T > S+ 0 0 3 533,-2.3 3,-1.2 -4,-0.1 -7,-0.3 0.313 96.5 117.7 76.6 -3.9 -5.7 7.2 76.7 13 21 A G T < S+ 0 0 1 -3,-2.2 -7,-2.7 -6,-0.3 -5,-0.2 0.644 73.7 49.2 -73.6 -16.7 -3.6 10.4 76.5 14 22 A A T 3 S+ 0 0 2 -4,-0.3 -1,-0.3 531,-0.3 856,-0.2 0.404 81.9 125.4 -98.8 0.5 -0.5 8.6 75.1 15 23 A R < - 0 0 55 -3,-1.2 -10,-1.8 530,-0.2 -9,-0.1 -0.331 42.4-167.5 -58.1 137.9 -2.5 6.8 72.3 16 24 A R + 0 0 5 -12,-0.2 2,-0.4 851,-0.1 -1,-0.1 0.575 67.9 77.5 -97.1 -16.5 -1.2 7.4 68.8 17 25 A L - 0 0 9 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.834 53.4-170.7-100.6 136.3 -4.4 5.9 67.1 18 26 A T S S- 0 0 137 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.614 70.5 -26.0 -97.8 -16.7 -7.7 7.8 66.8 19 27 A G S S- 0 0 33 842,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.964 94.5 -32.3-171.9-169.2 -9.7 4.8 65.6 20 28 A D - 0 0 77 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.355 41.6-159.7 -65.1 138.6 -9.8 1.5 63.8 21 29 A Q > + 0 0 33 837,-0.1 4,-2.4 1,-0.1 5,-0.2 0.435 64.1 96.8 -99.6 -1.6 -7.2 1.2 61.1 22 30 A T H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.931 87.5 42.8 -60.9 -49.1 -8.6 -1.7 59.0 23 31 A A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 115.0 49.5 -63.3 -43.4 -10.4 0.4 56.3 24 32 A A H > S+ 0 0 49 -4,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.870 110.4 50.8 -66.3 -37.0 -7.5 2.9 55.9 25 33 A L H >< S+ 0 0 13 -4,-2.4 3,-0.6 2,-0.2 4,-0.5 0.914 107.4 53.3 -67.1 -40.9 -5.0 -0.0 55.5 26 34 A R H >< S+ 0 0 91 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.922 108.5 50.5 -55.3 -43.2 -7.2 -1.6 52.8 27 35 A D H 3< S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.710 103.4 60.8 -66.8 -22.3 -7.1 1.8 51.1 28 36 A S T << S+ 0 0 37 -4,-0.8 2,-0.7 -3,-0.6 387,-0.3 0.553 86.9 92.5 -79.5 -8.6 -3.3 1.8 51.4 29 37 A L < + 0 0 12 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.0 -0.810 46.5 156.4 -99.8 111.9 -3.0 -1.4 49.3 30 38 A S - 0 0 36 -2,-0.7 387,-2.5 385,-0.4 389,-0.3 -0.999 27.6-173.0-132.2 134.9 -2.5 -1.1 45.5 31 39 A D + 0 0 90 -2,-0.4 3,-0.1 385,-0.2 -1,-0.1 0.189 52.1 120.1-105.5 12.4 -1.0 -3.6 43.1 32 40 A K S S- 0 0 88 1,-0.1 -2,-0.1 0, 0.0 385,-0.1 -0.298 76.8 -81.5 -66.6 161.4 -1.1 -1.1 40.2 33 41 A P - 0 0 98 0, 0.0 2,-0.6 0, 0.0 405,-0.2 -0.287 35.7-123.8 -65.9 150.1 2.3 -0.3 38.7 34 42 A A - 0 0 6 403,-2.5 320,-0.2 1,-0.2 3,-0.1 -0.862 17.5-169.8 -85.1 126.5 4.8 2.2 40.2 35 43 A K S S+ 0 0 74 318,-2.5 274,-0.5 -2,-0.6 2,-0.3 0.878 76.4 18.1 -72.4 -44.5 5.8 4.9 37.7 36 44 A N E -a 354 0A 4 317,-1.5 319,-2.3 272,-0.2 2,-0.4 -0.918 64.5-154.9-127.6 154.2 8.5 6.2 40.0 37 45 A I E -ab 355 310A 0 272,-2.0 274,-2.2 -2,-0.3 2,-0.5 -0.999 4.0-171.6-126.9 132.4 10.5 4.9 43.1 38 46 A I E -ab 356 311A 0 317,-2.5 319,-2.3 -2,-0.4 2,-0.6 -0.978 9.5-169.7-118.3 113.8 12.1 7.0 45.7 39 47 A L E -ab 357 312A 0 272,-2.7 274,-2.7 -2,-0.5 2,-0.5 -0.924 2.7-165.8-103.9 115.7 14.3 4.9 48.1 40 48 A L E -ab 358 313A 0 317,-3.1 319,-2.1 -2,-0.6 2,-0.5 -0.937 3.7-167.3-107.0 124.8 15.5 6.8 51.2 41 49 A I E -ab 359 314A 0 272,-2.5 274,-2.7 -2,-0.5 2,-0.7 -0.944 13.7-162.3-113.9 121.2 18.3 5.2 53.3 42 50 A G E > - b 0 315A 0 317,-2.7 3,-2.1 -2,-0.5 319,-0.5 -0.924 30.6-131.3 -93.1 108.4 19.4 6.3 56.8 43 51 A D T 3 S- 0 0 1 272,-2.0 276,-0.9 -2,-0.7 277,-0.1 -0.500 89.0 -1.1 -66.1 124.2 22.8 4.7 57.0 44 52 A G T 3 S+ 0 0 0 -2,-0.2 2,-1.9 318,-0.2 -1,-0.3 0.560 90.9 147.5 73.6 11.5 22.9 2.9 60.4 45 53 A M < + 0 0 4 -3,-2.1 -1,-0.2 314,-0.1 -3,-0.1 -0.468 18.2 163.5 -87.7 71.3 19.4 4.1 61.2 46 54 A G > - 0 0 2 -2,-1.9 4,-2.3 363,-0.1 5,-0.2 -0.172 58.8 -87.9 -70.2 176.5 18.1 1.1 63.3 47 55 A D H > S+ 0 0 9 361,-0.2 4,-2.5 1,-0.2 802,-0.5 0.874 129.7 56.4 -55.8 -37.1 15.0 1.3 65.5 48 56 A S H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 107.5 47.7 -60.4 -46.9 17.2 2.6 68.4 49 57 A E H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 112.1 49.5 -61.3 -43.2 18.5 5.5 66.2 50 58 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.943 113.5 46.4 -61.4 -48.0 14.9 6.4 65.1 51 59 A T H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.902 111.2 50.3 -62.9 -45.8 13.6 6.4 68.7 52 60 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.917 113.3 46.3 -59.3 -46.4 16.5 8.4 70.2 53 61 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.5 0.895 113.5 48.5 -65.9 -40.0 16.1 11.1 67.5 54 62 A R H X>S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-1.4 0.957 110.9 50.7 -62.9 -48.9 12.3 11.2 68.0 55 63 A N H <5S+ 0 0 6 -4,-2.9 330,-0.5 3,-0.2 331,-0.4 0.915 118.2 38.9 -55.7 -45.4 12.7 11.4 71.8 56 64 A Y H <5S+ 0 0 22 -4,-2.2 329,-1.9 -5,-0.2 -2,-0.2 0.949 128.4 27.3 -69.8 -53.0 15.2 14.3 71.5 57 65 A A H <5S+ 0 0 24 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.781 137.8 20.1 -87.6 -33.4 13.7 16.4 68.6 58 66 A E T <5S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.5 5,-0.1 0.524 107.1-110.6-112.3 -13.2 10.0 15.6 68.8 59 67 A G > < - 0 0 1 -5,-1.4 3,-2.0 -4,-0.4 -3,-0.2 0.052 40.2 -76.0 87.4 156.3 9.5 14.3 72.4 60 68 A A T 3 S+ 0 0 0 -5,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.876 136.7 40.8 -54.8 -42.1 8.7 10.7 73.3 61 69 A G T 3 S+ 0 0 15 -6,-0.1 -57,-3.1 -3,-0.1 -1,-0.3 0.255 99.4 105.5 -91.9 11.3 5.0 11.1 72.3 62 70 A G < - 0 0 11 -3,-2.0 2,-0.3 -59,-0.2 -3,-0.1 -0.056 60.6-133.8 -78.1-171.5 6.0 13.1 69.1 63 71 A F - 0 0 24 -5,-0.1 2,-0.7 -9,-0.1 -60,-0.1 -0.979 11.2-129.6-152.3 126.0 5.9 12.0 65.5 64 72 A F > - 0 0 1 -2,-0.3 4,-1.3 1,-0.2 5,-0.3 -0.718 21.0-150.2 -76.6 114.6 8.4 12.4 62.6 65 73 A K T 4 S+ 0 0 113 -2,-0.7 -1,-0.2 3,-0.1 274,-0.0 0.666 92.9 27.8 -65.3 -16.3 6.1 13.8 59.8 66 74 A G T >4 S+ 0 0 0 2,-0.0 3,-1.7 3,-0.0 4,-0.3 0.758 126.7 37.1 -98.9 -72.7 8.3 12.0 57.2 67 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.826 124.3 39.7 -53.1 -44.4 9.9 8.9 58.8 68 76 A D G 3< S+ 0 0 5 -4,-1.3 797,-0.4 1,-0.2 -1,-0.3 0.460 100.8 76.5 -86.1 -2.0 6.9 7.9 61.0 69 77 A A G < + 0 0 26 -3,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.435 61.9 104.4 -96.3 -2.1 4.3 8.7 58.3 70 78 A L < - 0 0 1 -3,-0.5 344,-0.2 -4,-0.3 795,-0.1 -0.732 59.8-153.3 -81.8 125.8 4.7 5.7 56.0 71 79 A P S S+ 0 0 32 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.699 70.3 68.0 -77.9 -25.8 1.7 3.3 56.7 72 80 A L E +C 413 0A 4 341,-1.9 341,-2.4 791,-0.1 2,-0.3 -0.896 66.7 174.4-108.1 120.3 3.0 -0.1 55.7 73 81 A T E +CD 412 514A 0 -2,-0.6 350,-0.8 441,-0.5 441,-0.5 -0.924 12.0 146.9-132.2 148.5 5.8 -1.5 58.0 74 82 A G E -Ce 411 423A 0 337,-2.5 337,-1.9 -2,-0.3 2,-0.4 -0.813 39.7-101.4-154.7-166.3 7.9 -4.6 58.6 75 83 A Q E -Ce 410 424A 1 348,-1.8 350,-1.8 335,-0.2 2,-0.3 -0.996 32.6-164.7-129.9 133.3 11.3 -5.8 59.7 76 84 A Y E -Ce 409 425A 0 333,-2.3 333,-1.6 -2,-0.4 2,-0.3 -0.880 15.1-127.6-125.4 158.4 14.1 -7.0 57.4 77 85 A T E - e 0 426A 5 348,-1.7 350,-2.7 -2,-0.3 351,-0.2 -0.799 17.4-179.3-104.2 142.8 17.4 -8.9 57.7 78 86 A H + 0 0 3 -2,-0.3 14,-0.1 328,-0.3 22,-0.1 0.116 22.4 150.5-133.4 19.0 20.7 -7.6 56.4 79 87 A Y - 0 0 9 327,-0.1 11,-0.2 422,-0.1 2,-0.1 -0.225 31.1-149.0 -53.6 145.6 23.3 -10.3 57.1 80 88 A A E -T 89 0B 2 9,-2.3 9,-2.4 26,-0.1 2,-0.3 -0.179 16.3-106.5 -99.7-169.2 26.3 -10.6 54.7 81 89 A L E -Tu 88 108B 1 26,-2.1 28,-0.6 7,-0.3 2,-0.5 -0.948 19.9-113.9-121.4 150.2 28.3 -13.6 53.7 82 90 A N > - 0 0 65 5,-2.9 4,-2.4 -2,-0.3 5,-0.1 -0.718 28.5-139.9 -73.6 126.4 31.8 -14.9 54.4 83 91 A K T 4 S+ 0 0 83 -2,-0.5 -1,-0.1 1,-0.2 25,-0.0 0.896 95.8 40.5 -57.9 -44.1 33.7 -14.8 51.1 84 92 A K T 4 S+ 0 0 204 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.920 127.7 27.1 -72.9 -46.9 35.5 -18.1 51.5 85 93 A T T 4 S- 0 0 87 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.693 88.0-136.2 -92.0 -24.9 32.8 -20.3 53.1 86 94 A G < + 0 0 8 -4,-2.4 -3,-0.1 1,-0.3 3,-0.1 0.467 61.7 131.2 75.0 2.3 29.6 -18.7 51.7 87 95 A K - 0 0 86 1,-0.1 -5,-2.9 -5,-0.1 -1,-0.3 -0.399 68.6 -76.7 -79.0 162.9 28.1 -19.0 55.2 88 96 A P E -T 81 0B 8 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.268 30.4-154.5 -60.3 145.7 26.3 -16.0 56.8 89 97 A D E -T 80 0B 36 -9,-2.4 -9,-2.3 -3,-0.1 742,-0.1 -0.994 15.5-150.0-115.8 110.3 28.4 -13.1 58.4 90 98 A Y S S+ 0 0 7 -2,-0.5 2,-0.5 740,-0.4 -12,-0.2 0.648 79.0 52.8 -69.7 -16.0 25.9 -11.8 61.0 91 99 A V S S- 0 0 10 719,-0.1 -1,-0.2 -12,-0.1 315,-0.1 -0.918 75.5-162.0-125.4 105.3 27.1 -8.1 60.9 92 100 A T - 0 0 3 -2,-0.5 2,-0.2 313,-0.2 312,-0.1 -0.352 10.3-135.4 -76.1 160.0 27.3 -6.5 57.5 93 101 A D > - 0 0 22 -2,-0.1 4,-1.4 311,-0.0 5,-0.2 -0.459 38.2 -95.4 -96.4-178.9 29.2 -3.3 56.4 94 102 A S H > S+ 0 0 3 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.778 119.4 56.1 -69.7 -27.6 27.6 -0.6 54.2 95 103 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 18,-0.3 0.941 108.3 44.0 -73.7 -47.1 29.0 -2.1 50.9 96 104 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 11,-0.2 0.885 116.2 48.4 -66.2 -38.8 27.6 -5.6 51.2 97 105 A S H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 5,-0.2 0.942 111.1 47.8 -69.0 -46.1 24.2 -4.3 52.3 98 106 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.895 110.6 54.2 -62.8 -37.2 23.9 -1.7 49.5 99 107 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 12,-0.3 6,-0.5 0.927 105.1 55.8 -60.2 -39.7 24.9 -4.4 47.0 100 108 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 331,-0.3 0.920 112.8 37.2 -63.4 -49.4 22.1 -6.7 48.3 101 109 A W H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 119.7 48.9 -75.9 -22.0 19.2 -4.2 47.7 102 110 A S H < S+ 0 0 0 -4,-1.7 22,-1.8 -5,-0.2 -2,-0.2 0.708 129.3 17.0 -90.6 -17.3 20.6 -2.8 44.5 103 111 A T H < S- 0 0 7 -4,-1.9 -3,-0.2 20,-0.2 -2,-0.2 0.565 92.9-121.7-124.8 -20.3 21.3 -6.2 42.8 104 112 A G S < S+ 0 0 1 -4,-1.9 349,-2.4 -5,-0.5 2,-0.4 0.548 77.5 104.8 84.0 7.1 19.4 -8.9 44.7 105 113 A V - 0 0 1 -6,-0.5 -1,-0.2 347,-0.2 -2,-0.2 -0.984 67.3-127.4-124.2 134.7 22.4 -11.0 45.6 106 114 A K + 0 0 3 343,-0.5 10,-0.4 -2,-0.4 2,-0.2 -0.369 36.2 172.6 -64.4 153.0 24.1 -11.3 49.0 107 115 A T - 0 0 1 -11,-0.2 -26,-2.1 8,-0.2 2,-0.2 -0.823 31.3 -74.3-151.0-172.8 27.9 -10.7 49.1 108 116 A Y B > -u 81 0B 18 -2,-0.2 3,-2.2 -28,-0.2 -26,-0.1 -0.582 59.7 -81.2 -92.0 153.8 30.9 -10.3 51.4 109 117 A N T 3 S+ 0 0 58 -28,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.319 116.6 20.1 -58.1 130.2 31.8 -7.2 53.5 110 118 A G T 3 S+ 0 0 11 1,-0.3 48,-1.5 47,-0.1 -1,-0.2 0.171 91.4 127.7 94.6 -11.8 33.5 -4.5 51.4 111 119 A A < - 0 0 0 -3,-2.2 2,-0.5 46,-0.2 -1,-0.3 -0.539 41.9-159.4 -76.1 141.3 32.2 -5.7 48.0 112 120 A L B S-V 155 0C 0 43,-2.2 43,-1.9 -2,-0.2 -16,-0.1 -0.965 70.6 -21.6-121.9 114.8 30.4 -3.3 45.7 113 121 A G S S+ 0 0 0 -2,-0.5 8,-1.8 -18,-0.3 2,-0.3 0.679 113.4 96.2 69.6 18.3 28.2 -4.7 42.9 114 122 A V B -W 120 0D 1 6,-0.2 6,-0.2 41,-0.2 -1,-0.2 -0.949 65.0-130.4-137.2 153.8 29.9 -8.1 42.8 115 123 A D > - 0 0 8 4,-1.7 3,-2.0 -2,-0.3 -8,-0.2 -0.168 47.2 -79.8 -91.2-174.3 29.0 -11.5 44.5 116 124 A I T 3 S+ 0 0 17 -10,-0.4 -9,-0.1 334,-0.3 -30,-0.0 0.694 133.7 53.5 -67.7 -16.9 31.3 -13.9 46.5 117 125 A H T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -10,-0.0 0.223 119.4-113.2 -91.8 8.6 32.8 -15.2 43.1 118 126 A E < + 0 0 95 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.659 66.1 151.4 62.8 22.0 33.6 -11.5 42.2 119 127 A K - 0 0 128 1,-0.1 -4,-1.7 0, 0.0 -1,-0.2 -0.666 47.2-119.1 -79.5 134.5 31.0 -11.7 39.3 120 128 A D B -W 114 0D 52 -2,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.496 26.5-165.6 -70.1 138.4 29.3 -8.3 38.4 121 129 A H - 0 0 17 -8,-1.8 -17,-0.1 -2,-0.2 -16,-0.1 -0.993 27.6-108.1-122.6 135.8 25.5 -8.1 38.8 122 130 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 -9,-0.0 -0.318 34.9-131.0 -61.1 144.7 23.5 -5.3 37.2 123 131 A T > - 0 0 0 28,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.522 19.8-110.5 -95.4 162.8 22.1 -2.7 39.6 124 132 A I H > S+ 0 0 0 -22,-1.8 4,-2.1 1,-0.2 5,-0.1 0.829 120.6 51.6 -58.1 -35.4 18.6 -1.3 39.9 125 133 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 109.9 47.7 -68.4 -44.4 19.9 2.0 38.6 126 134 A E H > S+ 0 0 57 25,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.900 114.0 48.5 -62.7 -39.6 21.6 0.5 35.6 127 135 A M H X S+ 0 0 39 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.894 109.6 51.5 -67.1 -42.5 18.4 -1.5 34.9 128 136 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.2 3,-0.4 0.950 111.6 47.0 -59.8 -48.5 16.2 1.6 35.2 129 137 A K H ><5S+ 0 0 62 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.917 108.6 55.2 -59.8 -42.6 18.4 3.5 32.7 130 138 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.5 52.3 -62.0 -29.3 18.4 0.5 30.3 131 139 A A T 3<5S- 0 0 41 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.338 126.0-100.7 -87.9 4.1 14.6 0.6 30.3 132 140 A G T < 5S+ 0 0 42 -3,-1.9 175,-0.3 1,-0.3 -3,-0.2 0.608 76.9 136.0 87.2 15.2 14.5 4.3 29.4 133 141 A L < - 0 0 13 -5,-2.4 -1,-0.3 -6,-0.2 176,-0.2 -0.587 58.1-108.8 -88.7 156.0 13.8 5.7 32.9 134 142 A A E -f 309 0A 5 174,-2.6 176,-2.3 168,-0.2 2,-0.4 -0.543 36.3-148.9 -77.7 155.1 15.5 8.7 34.5 135 143 A T E -f 310 0A 0 174,-0.2 59,-2.0 -2,-0.2 58,-0.7 -0.984 15.2-174.9-137.0 135.9 17.9 8.0 37.3 136 144 A G E -fg 311 194A 0 174,-2.3 176,-2.0 -2,-0.4 2,-0.4 -0.981 8.6-174.3-132.0 147.3 19.1 9.8 40.4 137 145 A N E +fg 312 195A 0 57,-2.3 59,-2.2 -2,-0.3 2,-0.4 -0.947 16.9 172.1-142.5 103.4 21.8 9.2 43.1 138 146 A V E +fg 313 196A 0 174,-2.6 176,-2.2 -2,-0.4 2,-0.3 -0.966 4.2 155.0-123.3 134.4 21.8 11.6 46.1 139 147 A S E -f 314 0A 0 57,-2.4 59,-0.2 -2,-0.4 176,-0.2 -0.993 45.5-137.9-153.3 151.9 23.9 11.4 49.3 140 148 A T E S+ 0 0 6 174,-1.5 116,-2.7 -2,-0.3 2,-0.1 0.492 88.1 82.3 -83.7 -4.4 25.3 13.6 52.1 141 149 A A E S- 0 0 0 114,-0.2 57,-2.4 173,-0.2 -2,-0.2 -0.465 104.3 -76.3 -85.6 167.6 28.5 11.4 51.9 142 150 A E E > - g 0 198A 40 55,-0.2 3,-2.0 -2,-0.1 57,-0.3 -0.402 49.6-121.5 -52.3 135.9 31.4 11.6 49.5 143 151 A L T 3 S+ 0 0 0 55,-1.9 -1,-0.1 1,-0.3 56,-0.1 0.687 110.4 62.5 -69.1 -13.9 29.9 10.1 46.3 144 152 A Q T 3 S+ 0 0 1 4,-0.1 -1,-0.3 5,-0.1 39,-0.1 0.567 81.2 112.2 -80.4 -14.4 32.7 7.3 46.3 145 153 A D S <> S- 0 0 6 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.195 85.4-100.1 -61.2 162.0 31.3 6.0 49.7 146 154 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.806 111.9 55.7 -58.8 -44.1 29.7 2.6 49.7 147 155 A T H 4 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.954 118.9 28.8 -64.1 -53.0 26.0 3.5 49.7 148 156 A P H >4 S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.862 118.2 60.0 -70.0 -33.1 25.9 5.7 46.5 149 157 A A H >X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-1.6 0.822 90.8 68.0 -65.5 -34.1 28.8 3.8 44.9 150 158 A A T 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -3,-0.1 0.781 95.8 56.9 -57.3 -27.6 27.0 0.5 45.0 151 159 A L T <4 S+ 0 0 0 -3,-1.1 -25,-0.4 -4,-0.4 -1,-0.3 0.705 123.0 20.4 -73.3 -22.6 24.5 1.8 42.3 152 160 A V T <4 S+ 0 0 4 -3,-1.6 2,-0.3 -4,-0.4 38,-0.2 0.400 111.9 64.6-132.9 -1.7 27.2 2.6 39.8 153 161 A A < - 0 0 0 -4,-1.8 2,-0.5 2,-0.1 -1,-0.1 -0.981 48.6-160.7-136.5 144.4 30.4 0.7 40.5 154 162 A H + 0 0 12 -2,-0.3 2,-0.3 27,-0.1 -41,-0.2 -0.952 36.5 144.1-124.2 100.6 31.5 -3.0 40.5 155 163 A V B -V 112 0C 0 -43,-1.9 -43,-2.2 -2,-0.5 -41,-0.2 -0.980 54.7-128.2-141.0 154.7 34.7 -3.4 42.5 156 164 A T S S+ 0 0 33 -2,-0.3 2,-0.3 1,-0.2 -43,-0.1 0.658 97.5 32.8 -82.0 -14.7 36.2 -6.0 44.8 157 165 A S > - 0 0 29 -46,-0.1 3,-1.6 -45,-0.1 -1,-0.2 -0.982 68.3-140.3-142.4 135.0 36.9 -3.5 47.6 158 166 A R T 3 S+ 0 0 60 -48,-1.5 -47,-0.1 -2,-0.3 -48,-0.1 0.579 96.3 76.6 -63.6 -14.1 35.0 -0.3 48.7 159 167 A K T 3 + 0 0 131 1,-0.2 2,-2.2 -49,-0.1 3,-0.3 0.591 64.8 100.5 -73.0 -7.6 38.4 1.4 49.3 160 168 A a < + 0 0 0 -3,-1.6 23,-2.9 1,-0.2 24,-0.3 -0.281 38.9 147.3 -81.1 58.1 38.9 1.9 45.5 161 169 A Y - 0 0 52 -2,-2.2 23,-2.0 21,-0.2 -1,-0.2 0.897 66.4 -7.6 -62.3 -48.9 37.9 5.6 45.4 162 170 A G S > S- 0 0 0 -3,-0.3 4,-2.3 21,-0.2 5,-0.2 -0.728 91.6 -69.9-138.2-175.4 40.2 6.7 42.6 163 171 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.872 123.4 52.0 -50.7 -46.8 43.1 5.5 40.4 164 172 A S H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.943 114.0 40.3 -60.2 -54.3 45.7 5.5 43.2 165 173 A A H > S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.872 114.0 55.1 -65.1 -33.6 43.7 3.4 45.7 166 174 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 8,-0.3 0.924 104.5 52.3 -67.9 -44.1 42.5 1.0 42.9 167 175 A S H < S+ 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.877 119.0 37.8 -57.9 -36.7 46.0 0.2 41.7 168 176 A E H < S+ 0 0 138 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 130.9 23.5 -80.0 -45.9 47.0 -0.7 45.2 169 177 A K H < S+ 0 0 90 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.666 131.6 29.9-103.6 -22.5 43.8 -2.4 46.6 170 178 A a >X + 0 0 1 -4,-2.3 3,-2.1 -5,-0.4 4,-1.0 -0.498 63.0 165.4-134.5 63.6 41.8 -3.7 43.5 171 179 A P G >4 S+ 0 0 61 0, 0.0 3,-0.7 0, 0.0 8,-0.2 0.849 76.4 58.5 -55.8 -34.5 44.5 -4.5 40.9 172 180 A G G 34 S+ 0 0 64 1,-0.2 8,-0.1 -3,-0.1 9,-0.1 0.735 109.7 43.8 -62.6 -25.2 42.0 -6.5 38.8 173 181 A N G <4 S+ 0 0 24 -3,-2.1 8,-2.5 -7,-0.3 -1,-0.2 0.557 85.0 119.2 -93.9 -15.6 39.8 -3.4 38.5 174 182 A A X<> - 0 0 1 -4,-1.0 5,-2.1 -3,-0.7 3,-1.8 -0.323 65.2-135.1 -59.9 133.0 42.6 -0.9 37.8 175 183 A L G > 5S+ 0 0 51 1,-0.3 3,-1.6 3,-0.2 -1,-0.1 0.883 104.4 54.8 -55.7 -40.6 42.1 0.8 34.4 176 184 A E G 3 5S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.601 106.5 53.3 -72.7 -9.4 45.8 0.4 33.5 177 185 A K G < 5S- 0 0 111 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.247 128.0 -93.4-105.6 8.3 45.5 -3.4 34.1 178 186 A G T < 5S+ 0 0 72 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.508 84.7 128.4 93.0 6.9 42.5 -3.9 31.8 179 187 A G S - 0 0 0 -2,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.125 65.1 -96.1 -66.4 167.7 38.0 3.0 40.1 183 191 A I H > S+ 0 0 0 -23,-2.9 4,-2.5 1,-0.2 5,-0.2 0.929 126.5 48.6 -52.3 -47.2 34.7 3.9 41.8 184 192 A T H > S+ 0 0 0 -23,-2.0 4,-2.0 -24,-0.3 -1,-0.2 0.917 111.5 49.1 -66.1 -40.7 34.9 7.5 40.5 185 193 A E H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.9 47.5 -62.7 -41.5 35.7 6.3 36.9 186 194 A Q H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.899 108.0 55.7 -68.9 -37.4 32.8 3.8 36.9 187 195 A L H X S+ 0 0 5 -4,-2.5 4,-1.5 -5,-0.2 5,-0.4 0.920 107.0 50.5 -58.6 -42.6 30.4 6.5 38.3 188 196 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.0 47.1 -66.2 -37.2 31.4 8.7 35.3 189 197 A N H < S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 104.3 60.8 -66.7 -37.7 30.6 5.8 32.9 190 198 A A H < S- 0 0 19 -4,-2.5 -2,-0.2 -38,-0.2 -1,-0.2 0.848 86.1-165.3 -64.0 -34.9 27.3 5.0 34.6 191 199 A R < - 0 0 48 -4,-1.5 -3,-0.1 -5,-0.2 -56,-0.1 0.904 3.7-168.0 53.8 54.0 26.1 8.5 33.7 192 200 A A - 0 0 2 -5,-0.4 3,-0.2 1,-0.1 -56,-0.1 -0.365 30.1-120.0 -56.8 152.3 23.0 8.8 35.9 193 201 A D S S+ 0 0 10 -58,-0.7 54,-2.9 1,-0.2 2,-0.4 0.889 98.9 24.5 -63.2 -38.8 20.9 11.8 35.0 194 202 A V E +gh 136 247A 0 -59,-2.0 -57,-2.3 52,-0.2 2,-0.4 -0.983 63.4 168.6-134.8 120.7 21.3 13.4 38.4 195 203 A T E +gh 137 248A 3 52,-2.0 54,-2.7 -2,-0.4 2,-0.4 -0.990 12.0 172.5-132.3 120.7 24.2 12.7 40.9 196 204 A L E +gh 138 249A 0 -59,-2.2 -57,-2.4 -2,-0.4 2,-0.3 -0.992 25.6 76.3-136.0 127.4 24.5 15.0 44.0 197 205 A G E - h 0 250A 0 52,-2.0 54,-2.8 -2,-0.4 55,-0.3 -0.960 68.5 -56.7 173.7-155.7 26.7 14.8 47.1 198 206 A G E S+g 142 0A 0 -57,-2.4 -55,-1.9 -2,-0.3 57,-0.2 -0.160 70.9 97.1 -94.1-163.4 30.2 15.3 48.5 199 207 A G + 0 0 1 55,-1.6 4,-0.5 53,-0.4 3,-0.4 0.796 27.6 146.8 90.0 33.1 33.6 13.8 47.4 200 208 A A > + 0 0 20 52,-2.4 3,-1.0 54,-0.2 4,-0.4 0.792 61.7 78.2 -63.1 -30.1 35.2 16.5 45.2 201 209 A K G > S+ 0 0 142 52,-2.4 3,-1.9 1,-0.3 4,-0.2 0.909 89.4 50.0 -49.2 -51.4 38.7 15.4 46.6 202 210 A T G > S+ 0 0 12 -3,-0.4 3,-1.8 51,-0.3 15,-0.3 0.773 95.6 72.8 -65.6 -22.9 39.0 12.2 44.4 203 211 A F G < S+ 0 0 0 -3,-1.0 15,-2.0 -4,-0.5 14,-0.7 0.670 84.4 69.1 -68.7 -11.1 38.2 14.2 41.2 204 212 A A G < S+ 0 0 75 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.624 80.4 98.8 -76.6 -14.5 41.6 15.8 41.4 205 213 A E S < S- 0 0 56 -3,-1.8 12,-2.0 -4,-0.2 2,-0.4 -0.363 72.4-127.4 -70.8 155.5 43.3 12.5 40.6 206 214 A T B -X 216 0E 73 10,-0.3 10,-0.2 11,-0.1 7,-0.1 -0.836 21.3-109.2-107.0 142.7 44.4 11.8 37.0 207 215 A A B -y 213 0F 5 8,-1.9 7,-2.5 5,-0.5 8,-0.1 -0.396 15.6-152.6 -69.5 147.2 43.5 8.8 34.9 208 216 A T S S+ 0 0 51 5,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.402 73.1 2.3-100.2 -3.4 46.3 6.2 34.1 209 217 A A S S+ 0 0 21 -32,-0.0 3,-0.3 3,-0.0 -33,-0.1 -0.915 91.4 55.9-165.1 179.6 44.9 4.8 30.8 210 218 A G S > S- 0 0 52 -2,-0.3 3,-1.8 1,-0.2 -34,-0.0 -0.029 99.3 -40.0 77.8-175.1 42.1 5.3 28.4 211 219 A E T 3 S+ 0 0 154 1,-0.3 -1,-0.2 0, 0.0 -4,-0.0 0.779 138.2 43.1 -57.3 -33.4 40.7 8.3 26.4 212 220 A W T > S+ 0 0 52 -3,-0.3 3,-2.1 3,-0.1 -5,-0.5 0.055 78.6 152.3-107.9 25.5 41.2 10.7 29.3 213 221 A Q B < S+y 207 0F 119 -3,-1.8 -5,-0.2 1,-0.3 3,-0.1 -0.285 70.9 17.2 -52.8 135.2 44.7 9.5 30.4 214 222 A G T 3 S+ 0 0 54 -7,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.296 103.2 106.3 80.9 -10.0 46.6 12.4 32.1 215 223 A K S < S- 0 0 104 -3,-2.1 -8,-1.9 1,-0.1 -1,-0.3 -0.743 77.5-107.9 -94.3 149.7 43.5 14.5 32.6 216 224 A T B > -X 206 0E 31 -2,-0.3 4,-2.3 -10,-0.2 -10,-0.3 -0.298 29.5-113.3 -65.6 161.0 41.9 14.9 36.1 217 225 A L H > S+ 0 0 0 -12,-2.0 4,-2.4 -14,-0.7 -13,-0.2 0.843 120.6 55.7 -68.7 -28.1 38.6 13.1 36.7 218 226 A R H > S+ 0 0 105 -15,-2.0 4,-2.3 -13,-0.2 -1,-0.2 0.948 107.9 47.8 -63.5 -48.2 37.0 16.6 36.9 219 227 A E H > S+ 0 0 102 -16,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.894 110.5 53.1 -58.9 -39.9 38.4 17.5 33.5 220 228 A Q H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.945 107.3 50.6 -59.6 -49.7 37.1 14.1 32.2 221 229 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.2 0.934 111.7 48.1 -53.3 -46.8 33.6 14.9 33.5 222 230 A Q H ><5S+ 0 0 125 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.930 110.9 50.4 -59.2 -45.9 33.7 18.3 31.7 223 231 A A H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.6 56.2 -65.2 -27.4 34.9 16.7 28.5 224 232 A R T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.341 123.3-100.1 -91.3 7.4 32.1 14.1 28.6 225 233 A G T < 5 + 0 0 33 -3,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.585 66.7 154.2 91.9 10.9 29.3 16.7 28.8 226 234 A Y < - 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