==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-07 3BDF . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.C.GRIGG,M.E.MURPHY . 866 7 4 2 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 576 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 49 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 3 3 6 2 0 2 1 5 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 6 0 4 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 . 8 5 3 1 2 2 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 . 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 A T 0 0 159 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.4 -15.7 -23.4 8.8 2 2 A P + 0 0 67 0, 0.0 351,-0.2 0, 0.0 350,-0.1 -0.609 360.0 152.0 -66.3 92.5 -14.5 -20.1 10.5 3 3 A E + 0 0 152 -2,-1.2 350,-0.1 349,-0.4 349,-0.1 0.733 26.2 84.5-123.0 -29.4 -11.4 -21.7 11.9 4 4 A M S S- 0 0 29 348,-0.3 2,-0.2 1,-0.1 32,-0.1 -0.676 88.7-106.8 -70.2 135.7 -8.1 -19.8 12.6 5 5 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.430 27.7-158.6 -81.0 142.1 -8.9 -18.5 16.1 6 6 A V - 0 0 24 -2,-0.2 2,-0.7 72,-0.1 72,-0.2 -0.815 42.8 -98.5 -95.7 149.0 -9.7 -14.9 17.1 7 7 A L - 0 0 24 70,-2.6 3,-0.2 -2,-0.3 69,-0.0 -0.610 42.5-171.8 -69.2 113.0 -9.1 -14.1 20.8 8 8 A E + 0 0 164 -2,-0.7 -1,-0.2 1,-0.2 2,-0.2 0.789 66.2 6.4 -80.6 -31.9 -12.7 -14.5 22.2 9 9 A N + 0 0 91 15,-0.1 -1,-0.2 1,-0.1 64,-0.0 -0.567 52.7 155.8-161.1 93.5 -12.3 -13.2 25.7 10 10 A R + 0 0 12 -3,-0.2 2,-0.1 -2,-0.2 62,-0.1 -0.110 41.3 126.3-107.8 34.2 -9.2 -11.6 27.3 11 11 A A S S- 0 0 21 1,-0.1 59,-0.2 60,-0.1 60,-0.1 -0.419 82.8 -74.1 -68.4 161.2 -11.0 -9.8 29.9 12 12 A A - 0 0 21 57,-3.0 12,-0.2 1,-0.1 10,-0.2 -0.424 48.3-140.9 -53.7 136.7 -9.9 -10.3 33.5 13 13 A Q - 0 0 82 10,-2.4 9,-0.2 7,-0.3 -1,-0.1 0.681 65.1 -11.6 -89.2 -11.7 -11.3 -13.7 34.2 14 14 A G S S- 0 0 47 7,-2.6 2,-0.7 9,-0.2 7,-0.1 -0.449 107.0 -17.6-150.9-144.9 -12.5 -13.2 37.8 15 15 A D > - 0 0 97 1,-0.1 3,-2.3 -2,-0.1 6,-0.3 -0.750 52.8-148.2 -82.1 112.1 -12.5 -11.0 40.9 16 16 A I T 3 S+ 0 0 32 -2,-0.7 532,-0.5 1,-0.3 6,-0.2 0.652 94.4 59.0 -62.5 -14.7 -9.5 -8.6 40.4 17 17 A T T 3 S+ 0 0 25 4,-0.1 541,-0.4 530,-0.1 -1,-0.3 0.570 96.9 76.4 -87.3 -7.3 -8.9 -8.4 44.1 18 18 A A S X S- 0 0 34 -3,-2.3 3,-2.3 1,-0.1 4,-0.4 -0.667 99.6 -81.5-104.5 155.4 -8.4 -12.2 44.4 19 19 A P T 3 S+ 0 0 70 0, 0.0 528,-0.2 0, 0.0 -4,-0.1 -0.270 117.5 2.4 -53.8 131.1 -5.4 -14.3 43.5 20 20 A G T > S+ 0 0 15 526,-2.1 3,-1.3 -4,-0.1 -7,-0.3 0.338 98.2 116.6 74.4 -8.2 -5.6 -15.1 39.8 21 21 A G T < S+ 0 0 6 -3,-2.3 -7,-2.6 -6,-0.3 -5,-0.2 0.692 73.0 50.0 -67.5 -22.1 -8.7 -12.9 39.3 22 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.3 524,-0.3 838,-0.2 0.422 80.8 126.3 -98.2 0.5 -7.1 -10.4 37.0 23 23 A R < - 0 0 67 -3,-1.3 -10,-2.4 523,-0.2 -9,-0.2 -0.310 43.0-165.8 -52.7 137.1 -5.6 -13.0 34.6 24 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 833,-0.1 -1,-0.1 0.552 71.1 70.6 -97.4 -14.9 -6.6 -12.5 31.0 25 25 A L - 0 0 7 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.795 55.7-168.2-100.5 148.9 -5.4 -16.0 30.1 26 26 A T S S- 0 0 110 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.474 71.4 -26.2-107.4 -4.4 -7.1 -19.3 31.0 27 27 A G S S- 0 0 31 824,-0.0 -1,-0.3 0, 0.0 837,-0.0 -0.977 94.5 -29.3 175.1-176.1 -4.3 -21.6 29.9 28 28 A D - 0 0 64 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.269 39.3-160.3 -63.6 143.1 -1.3 -22.1 27.7 29 29 A Q > + 0 0 23 819,-0.2 4,-2.5 1,-0.1 5,-0.2 0.338 63.9 99.3-106.8 3.6 -1.3 -20.3 24.3 30 30 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 87.4 44.0 -61.0 -46.0 1.3 -22.3 22.4 31 31 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.3 51.8 -65.0 -43.5 -1.2 -24.5 20.5 32 32 A A H 4 S+ 0 0 32 -4,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.906 112.3 45.3 -58.4 -44.1 -3.5 -21.5 19.8 33 33 A L H >< S+ 0 0 5 -4,-2.5 3,-1.1 2,-0.2 4,-0.5 0.907 109.4 54.3 -71.4 -39.6 -0.6 -19.5 18.3 34 34 A R H >< S+ 0 0 113 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.906 109.6 49.6 -55.8 -38.9 0.7 -22.5 16.3 35 35 A D T 3< S+ 0 0 106 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.566 103.1 62.7 -77.3 -9.1 -2.8 -22.7 14.8 36 36 A S T < S+ 0 0 5 -3,-1.1 2,-0.6 -4,-0.4 374,-0.3 0.575 86.0 93.0 -87.8 -8.3 -2.7 -18.9 14.1 37 37 A L < + 0 0 23 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.0 -0.783 41.1 143.8-103.7 116.8 0.2 -19.2 11.6 38 38 A S - 0 0 29 -2,-0.6 374,-3.0 372,-0.4 375,-0.3 -0.978 31.4-166.8-144.8 141.7 -0.2 -19.7 7.9 39 39 A D + 0 0 87 -2,-0.3 3,-0.1 372,-0.2 423,-0.0 0.067 50.7 127.4-109.7 23.6 1.8 -18.4 4.9 40 40 A K S S- 0 0 84 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.279 75.6 -75.1 -65.1 161.2 -0.9 -19.4 2.4 41 41 A P - 0 0 99 0, 0.0 2,-0.6 0, 0.0 392,-0.2 -0.255 39.1-125.9 -58.6 145.9 -1.9 -16.5 0.1 42 42 A A - 0 0 5 390,-2.5 315,-0.2 1,-0.2 3,-0.1 -0.874 18.9-169.6 -84.0 122.2 -4.1 -13.7 1.4 43 43 A K S S+ 0 0 72 313,-2.5 274,-0.4 -2,-0.6 2,-0.3 0.884 75.8 16.5 -70.6 -41.6 -7.1 -13.4 -0.9 44 44 A N E -a 357 0A 3 312,-1.6 314,-2.5 272,-0.2 2,-0.4 -0.918 64.8-156.5-132.3 154.8 -8.1 -10.1 0.8 45 45 A I E -ab 358 318A 0 272,-2.0 274,-2.5 -2,-0.3 2,-0.5 -0.999 3.2-170.8-131.1 134.6 -6.5 -7.6 3.2 46 46 A I E -ab 359 319A 0 312,-2.5 314,-2.5 -2,-0.4 2,-0.6 -0.984 8.8-170.0-122.0 114.7 -8.3 -5.2 5.5 47 47 A L E -ab 360 320A 0 272,-2.6 274,-2.8 -2,-0.5 2,-0.5 -0.941 2.7-166.0-106.8 120.7 -6.0 -2.6 7.1 48 48 A L E -ab 361 321A 0 312,-3.2 314,-2.4 -2,-0.6 2,-0.5 -0.948 2.0-167.2-111.6 128.1 -7.6 -0.6 9.9 49 49 A I E -ab 362 322A 0 272,-2.9 274,-2.6 -2,-0.5 2,-0.7 -0.945 8.7-160.4-116.7 122.1 -5.8 2.6 11.1 50 50 A G E > -ab 363 323A 4 312,-2.7 3,-2.1 -2,-0.5 314,-0.5 -0.916 29.4-123.2 -99.2 116.9 -6.7 4.4 14.3 51 51 A D T 3 S- 0 0 23 272,-2.3 316,-0.1 -2,-0.7 3,-0.1 -0.404 92.7 -4.9 -56.3 125.4 -5.4 8.0 14.1 52 52 A G T 3 S+ 0 0 1 313,-0.4 2,-2.1 -2,-0.2 315,-2.0 0.524 91.8 149.0 71.4 7.1 -3.1 8.6 17.0 53 53 A M < + 0 0 6 -3,-2.1 -1,-0.2 313,-0.2 -3,-0.2 -0.412 13.3 149.9 -87.3 70.2 -3.9 5.2 18.5 54 54 A G > - 0 0 1 -2,-2.1 4,-2.3 311,-0.1 3,-0.2 -0.221 66.7 -81.3 -81.6-177.9 -0.8 4.1 20.3 55 55 A D H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 784,-0.6 0.843 129.3 54.9 -57.5 -35.8 -0.7 1.9 23.4 56 56 A S H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.922 109.0 47.1 -64.7 -42.7 -1.6 4.7 25.7 57 57 A E H > S+ 0 0 12 -3,-0.2 4,-2.1 -5,-0.2 -2,-0.2 0.880 111.7 50.7 -66.4 -39.8 -4.7 5.6 23.7 58 58 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.931 112.9 46.7 -61.3 -46.0 -5.8 2.0 23.6 59 59 A T H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.920 112.0 49.4 -65.5 -41.8 -5.3 1.6 27.3 60 60 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.915 113.7 46.0 -64.2 -42.9 -7.2 4.9 28.2 61 61 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.885 113.2 48.8 -67.2 -41.6 -10.1 4.0 26.0 62 62 A R H X>S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-1.4 0.964 111.9 50.2 -61.8 -49.4 -10.3 0.4 27.4 63 63 A N H X5S+ 0 0 5 -4,-3.1 4,-0.7 3,-0.2 325,-0.5 0.928 118.3 38.4 -52.5 -49.1 -10.1 1.8 30.9 64 64 A Y H <5S+ 0 0 22 -4,-2.5 324,-1.9 323,-0.2 -2,-0.2 0.949 127.7 28.9 -68.5 -53.3 -12.9 4.3 30.2 65 65 A A H <5S+ 0 0 19 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.775 138.2 17.9 -86.1 -28.2 -15.3 2.3 28.0 66 66 A E H <5S- 0 0 67 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.512 106.4-108.9-120.6 -11.3 -14.6 -1.3 29.2 67 67 A G ><< - 0 0 1 -5,-1.4 3,-2.4 -4,-0.7 -3,-0.1 0.044 42.4 -74.9 86.2 155.6 -12.9 -0.9 32.6 68 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.861 137.1 41.7 -54.0 -41.1 -9.3 -1.7 33.4 69 69 A G T 3 S+ 0 0 17 -6,-0.1 -57,-3.0 -3,-0.1 -1,-0.3 0.222 98.1 108.3 -91.3 11.8 -9.9 -5.4 33.2 70 70 A G < - 0 0 10 -3,-2.4 2,-0.3 -59,-0.2 -3,-0.1 -0.011 59.3-133.1 -80.6-168.8 -12.2 -5.2 30.2 71 71 A F - 0 0 15 -5,-0.1 2,-0.8 -9,-0.1 -60,-0.1 -0.978 8.9-133.3-154.6 124.3 -11.6 -6.3 26.6 72 72 A F > - 0 0 1 -2,-0.3 4,-1.6 1,-0.1 5,-0.3 -0.773 19.2-151.2 -82.1 114.1 -12.0 -4.7 23.2 73 73 A K T 4 S+ 0 0 143 -2,-0.8 -1,-0.1 3,-0.2 -66,-0.0 0.683 92.8 26.6 -62.9 -18.3 -13.7 -7.5 21.2 74 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.6 3,-0.1 4,-0.4 0.780 126.5 37.9-101.4 -71.1 -12.1 -6.1 18.1 75 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.839 123.7 40.0 -54.3 -40.5 -8.9 -4.2 18.9 76 76 A D G 3< S+ 0 0 0 -4,-1.6 779,-0.5 1,-0.2 -1,-0.3 0.480 101.5 76.6 -90.4 1.1 -7.7 -6.6 21.7 77 77 A A G < + 0 0 1 -3,-1.6 -70,-2.6 -5,-0.3 -1,-0.2 0.529 61.0 106.6 -94.9 -5.9 -8.7 -9.7 19.8 78 78 A L < - 0 0 0 -3,-0.5 777,-0.2 -4,-0.4 331,-0.2 -0.564 58.7-151.6 -79.6 129.6 -6.0 -10.1 17.2 79 79 A P S S+ 0 0 3 0, 0.0 2,-0.5 0, 0.0 330,-0.1 0.686 74.0 62.6 -79.0 -20.2 -3.7 -12.9 18.2 80 80 A L E +C 408 0A 2 328,-1.7 328,-2.6 773,-0.1 2,-0.3 -0.945 66.4 171.3-114.7 122.6 -0.4 -11.8 16.7 81 81 A T E +CD 407 515A 0 434,-0.5 337,-0.7 -2,-0.5 434,-0.5 -0.974 9.1 149.0-135.0 148.2 1.1 -8.5 17.9 82 82 A G E -Ce 406 418A 0 324,-2.8 324,-2.0 -2,-0.3 2,-0.4 -0.771 38.5-102.7-153.1-166.9 4.3 -6.5 17.7 83 83 A Q E -Ce 405 419A 0 335,-2.1 337,-1.8 322,-0.2 2,-0.3 -0.999 29.5-161.7-130.0 137.1 5.6 -2.9 17.7 84 84 A Y E -Ce 404 420A 0 320,-2.6 320,-1.9 -2,-0.4 2,-0.4 -0.870 14.5-127.7-124.6 154.4 6.7 -0.8 14.7 85 85 A T E - e 0 421A 5 335,-1.8 337,-2.9 -2,-0.3 338,-0.3 -0.773 18.2-178.2 -98.9 141.6 8.8 2.3 14.2 86 86 A H + 0 0 2 -2,-0.4 14,-0.2 315,-0.3 22,-0.1 0.120 21.6 150.3-131.0 23.9 7.4 5.3 12.2 87 87 A Y - 0 0 9 314,-0.1 11,-0.2 415,-0.1 2,-0.1 -0.213 30.9-148.8 -55.3 146.5 10.2 7.9 12.0 88 88 A A E -T 97 0B 2 9,-2.2 9,-2.6 26,-0.1 2,-0.4 -0.221 17.0-103.7 -98.1-166.0 10.2 10.2 9.0 89 89 A L E -Tu 96 116B 1 26,-2.4 28,-0.5 7,-0.3 2,-0.4 -0.942 21.1-115.0-122.4 148.7 13.1 11.8 7.2 90 90 A N > - 0 0 45 5,-3.3 4,-2.3 -2,-0.4 5,-0.1 -0.678 29.5-139.7 -72.9 129.5 14.5 15.3 7.1 91 91 A K T 4 S+ 0 0 85 -2,-0.4 -1,-0.1 1,-0.2 25,-0.1 0.899 95.4 40.1 -62.5 -40.7 13.9 16.4 3.5 92 92 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.893 128.3 26.7 -77.5 -42.0 17.2 18.2 3.1 93 93 A T T 4 S- 0 0 81 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.693 88.4-134.9 -96.7 -21.9 19.6 15.9 4.9 94 94 A G < + 0 0 11 -4,-2.3 -3,-0.1 1,-0.3 3,-0.1 0.494 60.9 133.9 74.0 2.5 17.9 12.5 4.6 95 95 A K - 0 0 89 1,-0.1 -5,-3.3 -6,-0.1 -1,-0.3 -0.457 67.6 -78.9 -76.8 158.1 18.5 11.8 8.3 96 96 A P E -T 89 0B 9 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.229 31.0-154.1 -57.0 140.0 15.8 10.5 10.5 97 97 A D E -T 88 0B 35 -9,-2.6 -9,-2.2 -3,-0.1 730,-0.1 -0.995 13.8-150.8-108.6 113.3 13.2 12.9 11.8 98 98 A Y S S+ 0 0 7 -2,-0.5 2,-0.5 728,-0.4 -12,-0.2 0.610 79.0 56.2 -68.8 -15.2 12.1 11.1 15.0 99 99 A V S S- 0 0 18 707,-0.1 -1,-0.2 -12,-0.1 302,-0.1 -0.910 73.7-165.8-125.6 104.0 8.5 12.5 15.0 100 100 A T - 0 0 6 -2,-0.5 2,-0.2 300,-0.2 -13,-0.1 -0.315 12.6-134.7 -78.2 158.7 6.4 11.9 11.8 101 101 A D > - 0 0 28 -2,-0.1 4,-1.8 1,-0.0 5,-0.2 -0.552 37.2 -96.4 -97.9-179.3 3.2 13.4 10.7 102 102 A S H > S+ 0 0 11 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.850 120.4 55.4 -67.1 -33.5 0.3 11.4 9.3 103 103 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 18,-0.3 0.935 108.7 44.2 -69.0 -44.9 1.2 12.0 5.7 104 104 A A H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 116.3 48.2 -67.0 -36.9 4.8 10.7 6.0 105 105 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.2 0.895 111.3 48.7 -70.7 -40.0 3.6 7.7 8.0 106 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.913 110.0 53.7 -64.7 -38.6 0.8 6.8 5.6 107 107 A T H X>S+ 0 0 0 -4,-2.3 4,-2.4 12,-0.3 6,-0.6 0.917 105.0 56.4 -60.0 -38.7 3.3 7.1 2.7 108 108 A A H X5S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 318,-0.3 0.926 114.0 35.1 -61.8 -48.8 5.5 4.6 4.4 109 109 A W H <5S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 120.5 49.0 -79.0 -21.3 3.0 1.8 4.7 110 110 A S H <5S+ 0 0 0 -4,-2.1 22,-1.9 -5,-0.2 -2,-0.2 0.794 131.0 15.1 -87.6 -26.1 1.3 2.6 1.4 111 111 A T H <5S- 0 0 6 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.557 92.3-123.5-121.4 -14.4 4.5 2.8 -0.7 112 112 A G S < -u 89 0B 20 -2,-0.2 3,-2.2 -28,-0.2 -26,-0.1 -0.531 60.5 -81.6 -88.2 156.6 9.5 13.9 4.8 117 117 A N T 3 S+ 0 0 55 -28,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.335 117.4 21.4 -58.5 130.7 6.7 15.2 7.0 118 118 A G T 3 S+ 0 0 10 1,-0.3 48,-1.8 47,-0.1 -1,-0.3 0.186 91.8 128.5 97.0 -14.4 3.7 16.4 4.9 119 119 A A < - 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0 0 0 -4,-2.1 2,-0.6 -5,-0.1 -1,-0.1 -0.976 47.7-162.5-136.8 141.0 -2.5 10.8 -4.5 162 162 A H + 0 0 6 -2,-0.4 2,-0.3 27,-0.1 -41,-0.2 -0.948 35.3 145.6-121.3 102.4 1.1 11.7 -5.0 163 163 A V B -V 120 0C 0 -43,-2.0 -43,-2.4 -2,-0.6 -41,-0.2 -0.978 54.8-125.1-140.8 154.1 1.7 15.4 -4.0 164 164 A T S S+ 0 0 27 -2,-0.3 2,-0.3 -45,-0.2 -43,-0.1 0.618 97.9 31.4 -79.2 -12.8 4.5 17.3 -2.4 165 165 A S > - 0 0 28 -45,-0.1 3,-1.8 -46,-0.1 -46,-0.2 -0.977 68.8-138.2-144.7 134.9 2.3 18.6 0.4 166 166 A R T 3 S+ 0 0 64 -48,-1.8 -47,-0.1 -2,-0.3 -48,-0.1 0.621 99.2 74.6 -62.0 -13.4 -0.7 17.1 2.2 167 167 A K T 3 + 0 0 132 1,-0.2 2,-2.4 -49,-0.2 3,-0.3 0.616 67.0 98.8 -74.6 -8.6 -2.4 20.6 2.1 168 168 A a < + 0 0 0 -3,-1.8 23,-2.7 1,-0.2 24,-0.3 -0.308 40.8 146.3 -82.6 61.8 -3.0 20.2 -1.7 169 169 A Y + 0 0 48 -2,-2.4 23,-2.0 21,-0.2 -1,-0.2 0.888 64.5 0.6 -66.9 -46.4 -6.7 19.1 -1.3 170 170 A G S > S- 0 0 0 -3,-0.3 4,-2.2 21,-0.2 5,-0.2 -0.728 91.7 -74.9-135.3-178.9 -8.1 20.7 -4.5 171 171 A P H > S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.883 123.6 51.8 -49.0 -46.1 -7.1 22.8 -7.5 172 172 A S H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.894 113.8 40.5 -63.9 -46.0 -6.8 26.1 -5.6 173 173 A A H > S+ 0 0 21 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.856 115.3 53.5 -71.7 -31.6 -4.5 24.8 -2.8 174 174 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 8,-0.3 0.940 106.3 50.3 -70.6 -47.2 -2.5 22.7 -5.3 175 175 A S H < S+ 0 0 25 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.844 120.4 38.7 -60.1 -33.4 -1.8 25.6 -7.7 176 176 A E H < S+ 0 0 134 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.941 131.5 20.5 -77.1 -53.8 -0.6 27.6 -4.6 177 177 A K H < S+ 0 0 91 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.634 133.9 30.7 -99.7 -21.4 1.3 25.1 -2.5 178 178 A a >X + 0 0 0 -4,-2.3 3,-2.0 -5,-0.4 4,-1.0 -0.490 67.1 163.9-132.2 59.0 2.2 22.2 -4.9 179 179 A P G >4 S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 8,-0.3 0.869 73.9 57.4 -56.6 -37.4 2.6 24.1 -8.2 180 180 A G G 34 S+ 0 0 59 1,-0.2 8,-0.1 -3,-0.1 -5,-0.1 0.767 110.0 45.8 -60.4 -25.4 4.5 21.2 -9.8 181 181 A N G <4 S+ 0 0 19 -3,-2.0 8,-2.7 -7,-0.3 -1,-0.2 0.587 85.0 115.3 -90.2 -15.7 1.5 18.9 -9.1 182 182 A A X<> - 0 0 0 -4,-1.0 5,-2.6 -3,-0.9 3,-1.2 -0.328 68.5-132.4 -63.4 136.7 -1.2 21.4 -10.3 183 183 A L G > 5S+ 0 0 56 1,-0.3 3,-1.5 3,-0.2 -1,-0.1 0.906 106.2 48.1 -57.4 -42.4 -3.0 20.1 -13.4 184 184 A E G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.615 109.0 55.5 -77.6 -9.1 -2.8 23.4 -15.3 185 185 A K G < 5S- 0 0 119 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.2 0.172 129.3 -91.6-104.2 13.0 1.0 23.5 -14.5 186 186 A G T < 5S+ 0 0 74 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.420 87.1 118.7 97.0 3.9 1.6 20.1 -16.0 187 187 A G S - 0 0 0 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.148 64.8 -95.9 -67.3 170.2 -4.8 17.9 -6.7 191 191 A I H > S+ 0 0 0 -23,-2.7 4,-2.5 1,-0.2 -21,-0.2 0.918 127.2 48.3 -52.1 -48.8 -5.4 15.2 -4.1 192 192 A T H > S+ 0 0 0 -23,-2.0 4,-2.1 -24,-0.3 -1,-0.2 0.892 111.4 49.1 -64.7 -39.0 -9.1 15.1 -5.1 193 193 A E H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 112.4 47.5 -65.6 -41.7 -8.4 15.0 -8.8 194 194 A Q H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.897 108.3 56.2 -67.9 -37.0 -5.9 12.1 -8.3 195 195 A L H X S+ 0 0 2 -4,-2.5 4,-1.6 -5,-0.2 5,-0.4 0.929 107.8 48.7 -55.2 -46.2 -8.5 10.3 -6.1 196 196 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 112.6 48.0 -65.1 -37.0 -11.0 10.5 -9.1 197 197 A N H < S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 104.8 58.8 -66.1 -40.5 -8.3 9.1 -11.5 198 198 A A H < S- 0 0 19 -4,-2.7 -1,-0.2 -38,-0.2 -2,-0.2 0.838 86.9-164.8 -63.3 -34.9 -7.4 6.3 -9.1 199 199 A R < - 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