==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALKALINE PHOSPHATASE 06-SEP-95 2ANH . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.MURPHY,T.T.TIBBITTS,E.R.KANTROWITZ . 892 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 51 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 4 2 2 7 3 0 2 0 6 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 0 3 3 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 6 4 0 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 2 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 4 A M 0 0 62 0, 0.0 2,-0.2 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 114.1 67.4 47.0 10.5 2 5 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 352,-0.0 -0.527 360.0-144.5 -81.6 143.4 63.8 46.8 12.0 3 6 A V - 0 0 37 -2,-0.2 2,-1.3 72,-0.1 72,-0.2 -0.768 42.8 -93.0 -99.2 152.4 62.9 46.4 15.7 4 7 A L - 0 0 15 70,-2.8 3,-0.2 -2,-0.3 69,-0.0 -0.580 42.8-170.1 -70.1 96.6 59.9 44.3 16.4 5 8 A E + 0 0 140 -2,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.828 68.2 3.8 -57.4 -38.5 57.2 47.1 16.4 6 9 A N + 0 0 73 -3,-0.1 -1,-0.2 15,-0.1 64,-0.0 -0.795 51.6 157.0-160.7 117.5 54.5 44.8 17.8 7 10 A R + 0 0 7 -2,-0.3 2,-0.2 -3,-0.2 15,-0.1 -0.203 39.6 125.5-128.2 37.8 54.3 41.3 19.0 8 11 A A S S- 0 0 20 1,-0.2 59,-0.2 13,-0.1 60,-0.1 -0.572 81.9 -72.2 -88.5 158.1 51.2 41.3 21.3 9 12 A A - 0 0 21 57,-3.0 12,-0.2 -2,-0.2 10,-0.2 -0.313 48.3-139.2 -47.2 129.4 48.3 38.9 20.6 10 13 A Q - 0 0 91 10,-3.0 9,-0.2 7,-0.3 -1,-0.2 0.765 65.5 -23.3 -71.7 -24.5 46.8 40.3 17.5 11 14 A G S S- 0 0 44 7,-2.9 2,-0.9 9,-0.3 7,-0.1 -0.416 108.2 -1.8-150.0-137.2 43.2 39.8 18.5 12 15 A D > - 0 0 97 1,-0.2 3,-1.9 4,-0.1 6,-0.4 -0.663 52.0-155.4 -74.5 110.5 40.7 37.9 20.6 13 16 A I T 3 S+ 0 0 30 -2,-0.9 545,-0.6 1,-0.3 6,-0.3 0.707 94.0 56.2 -62.0 -17.9 42.8 35.4 22.4 14 17 A T T 3 S+ 0 0 20 4,-0.1 554,-0.3 543,-0.1 -1,-0.3 0.604 100.1 76.3 -87.0 -14.5 39.7 33.2 22.8 15 18 A A S X S- 0 0 32 -3,-1.9 3,-2.3 1,-0.1 4,-0.4 -0.669 99.3 -83.4 -96.6 156.2 39.3 33.1 19.0 16 19 A P T 3 S+ 0 0 61 0, 0.0 541,-0.2 0, 0.0 -4,-0.1 -0.292 116.4 3.2 -60.0 127.7 41.2 31.2 16.3 17 20 A G T > S+ 0 0 15 539,-1.9 3,-1.0 -4,-0.1 -7,-0.3 0.350 100.7 113.2 77.5 -3.0 44.4 33.1 15.4 18 21 A G T < S+ 0 0 7 -3,-2.3 -7,-2.9 -6,-0.4 -5,-0.3 0.684 73.7 49.4 -73.5 -22.8 43.6 35.7 18.0 19 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 537,-0.3 862,-0.2 0.282 83.7 123.3 -94.4 1.0 46.5 34.9 20.3 20 23 A R < - 0 0 69 -3,-1.0 -10,-3.0 860,-0.1 -9,-0.3 -0.412 43.7-168.2 -62.1 146.9 49.0 35.0 17.3 21 24 A R + 0 0 2 -12,-0.2 2,-0.3 857,-0.2 -1,-0.1 0.518 68.6 70.5-107.9 -21.8 51.8 37.5 17.8 22 25 A L - 0 0 7 -15,-0.1 -12,-0.1 1,-0.1 3,-0.1 -0.711 54.9-170.2 -96.5 153.0 53.0 37.2 14.2 23 26 A T S S- 0 0 106 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.295 70.3 -16.1-121.0 -0.5 51.1 38.7 11.2 24 27 A G S S- 0 0 36 848,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.941 96.8 -36.3-175.2-163.0 53.1 37.1 8.4 25 28 A D - 0 0 65 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.625 38.9-158.3 -83.2 136.3 56.4 35.5 7.5 26 29 A Q > + 0 0 26 -2,-0.3 4,-2.4 843,-0.2 5,-0.2 0.499 66.2 96.5 -93.2 -4.1 59.5 36.7 9.3 27 30 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 86.1 45.2 -52.2 -53.6 62.2 35.6 6.9 28 31 A A H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 113.3 50.0 -58.6 -44.8 62.5 38.8 5.1 29 32 A A H 4 S+ 0 0 36 -4,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.851 111.4 49.0 -63.5 -37.2 62.6 40.9 8.3 30 33 A L H >X S+ 0 0 8 -4,-2.4 3,-2.4 2,-0.2 4,-0.7 0.949 107.3 55.1 -68.2 -44.6 65.3 38.6 9.8 31 34 A R H >< S+ 0 0 102 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.934 107.6 50.8 -54.5 -40.3 67.3 38.9 6.6 32 35 A D T 3< S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.577 103.1 61.1 -74.4 -6.1 67.2 42.7 7.1 33 36 A S T <4 S+ 0 0 4 -3,-2.4 2,-0.5 -4,-0.2 387,-0.3 0.535 85.2 93.4 -94.8 -6.8 68.3 42.3 10.7 34 37 A L << + 0 0 12 -3,-1.4 2,-0.3 -4,-0.7 -4,-0.0 -0.780 44.4 149.3 -94.1 121.7 71.7 40.7 9.8 35 38 A S - 0 0 22 -2,-0.5 387,-3.0 385,-0.4 388,-0.3 -0.921 31.4-170.4-154.6 126.9 74.8 42.9 9.4 36 39 A D + 0 0 85 -2,-0.3 3,-0.1 385,-0.2 -1,-0.1 0.309 51.4 125.4 -96.2 7.4 78.5 42.3 9.9 37 40 A K S S- 0 0 58 1,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.191 75.1 -86.4 -59.2 158.8 79.3 45.9 9.5 38 41 A P - 0 0 99 0, 0.0 2,-0.5 0, 0.0 405,-0.2 -0.409 37.5-125.9 -71.7 147.9 81.3 47.3 12.4 39 42 A A - 0 0 5 403,-2.7 320,-0.2 1,-0.2 3,-0.1 -0.830 14.6-164.8 -93.9 127.6 79.4 48.7 15.4 40 43 A K S S+ 0 0 62 318,-1.9 274,-0.5 -2,-0.5 2,-0.3 0.887 75.9 18.5 -77.5 -38.9 80.3 52.2 16.3 41 44 A N E -a 359 0A 3 317,-2.1 319,-1.9 272,-0.2 2,-0.4 -0.842 64.1-154.9-129.4 164.2 78.6 52.0 19.7 42 45 A I E -ab 360 315A 0 272,-1.5 274,-2.5 -2,-0.3 2,-0.6 -0.980 3.1-169.5-144.2 125.7 77.4 49.3 22.1 43 46 A I E -ab 361 316A 0 317,-2.7 319,-2.3 -2,-0.4 2,-0.6 -0.973 9.3-167.6-115.6 111.4 74.7 49.5 24.7 44 47 A L E -ab 362 317A 0 272,-2.8 274,-2.9 -2,-0.6 2,-0.6 -0.915 2.0-165.6-100.9 118.8 74.6 46.4 27.0 45 48 A L E -ab 363 318A 0 317,-3.5 319,-2.7 -2,-0.6 2,-0.5 -0.934 4.4-168.5-109.0 119.6 71.5 46.2 29.2 46 49 A I E -ab 364 319A 0 272,-2.8 274,-2.7 -2,-0.6 2,-0.7 -0.910 12.7-162.9-111.0 124.4 71.7 43.8 32.1 47 50 A G E > -ab 365 320A 0 317,-2.9 3,-1.9 -2,-0.5 319,-0.6 -0.925 31.1-129.0 -98.4 111.3 68.6 42.7 34.2 48 51 A D T 3 S- 0 0 1 272,-2.0 276,-0.8 -2,-0.7 3,-0.1 -0.530 89.4 -6.0 -68.1 120.4 70.2 41.3 37.3 49 52 A G T 3 S+ 0 0 0 -2,-0.5 2,-2.0 318,-0.2 -1,-0.3 0.544 91.6 148.1 74.8 9.8 68.6 37.9 37.7 50 53 A M < + 0 0 4 -3,-1.9 -1,-0.2 314,-0.1 -3,-0.2 -0.480 19.7 163.8 -79.6 75.0 66.2 38.6 34.9 51 54 A G >> - 0 0 2 -2,-2.0 4,-1.9 -3,-0.1 3,-0.7 -0.339 58.3 -86.5 -83.1 175.7 65.8 35.0 33.6 52 55 A D H 3> S+ 0 0 8 1,-0.3 4,-2.5 2,-0.2 808,-0.6 0.838 129.9 56.0 -51.6 -38.3 63.0 34.0 31.2 53 56 A S H 3> S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.918 107.0 49.3 -61.9 -41.2 60.7 33.3 34.3 54 57 A E H <> S+ 0 0 2 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.874 110.9 49.2 -68.0 -35.8 61.2 36.9 35.5 55 58 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.947 112.3 48.9 -67.6 -44.4 60.4 38.4 32.0 56 59 A T H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 110.6 49.3 -60.2 -46.4 57.2 36.3 31.8 57 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.877 113.1 47.3 -62.8 -38.4 56.0 37.2 35.2 58 61 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 5,-0.4 0.895 113.0 47.7 -69.3 -42.8 56.5 40.9 34.6 59 62 A R H X>S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-1.5 0.952 110.8 51.8 -62.7 -51.3 54.9 40.9 31.2 60 63 A N H X5S+ 0 0 5 -4,-2.6 4,-0.7 3,-0.2 330,-0.5 0.908 117.5 38.4 -49.8 -52.4 51.9 38.9 32.5 61 64 A Y H <5S+ 0 0 24 -4,-2.0 329,-2.1 -5,-0.2 -2,-0.2 0.970 127.6 29.8 -68.6 -55.9 51.3 41.4 35.3 62 65 A A H <5S+ 0 0 24 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.745 138.8 16.8 -78.5 -28.1 52.1 44.7 33.6 63 66 A E H <5S- 0 0 56 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.2 0.510 106.1-111.9-121.8 -15.5 51.1 44.0 30.0 64 67 A G ><< - 0 0 1 -5,-1.5 3,-2.3 -4,-0.7 -3,-0.2 0.090 39.2 -75.0 94.5 156.1 48.9 40.9 30.2 65 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.3 -5,-0.1 0.888 136.1 43.3 -53.6 -41.9 49.7 37.4 29.0 66 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-3.0 -3,-0.1 -1,-0.3 0.342 99.0 108.2 -86.3 5.8 49.1 38.5 25.4 67 70 A G < - 0 0 10 -3,-2.3 2,-0.3 -59,-0.2 -3,-0.1 -0.045 58.7-138.5 -74.8-176.2 51.0 41.7 25.9 68 71 A F - 0 0 1 -5,-0.1 2,-0.6 -9,-0.1 -60,-0.1 -0.997 12.3-130.9-148.7 130.3 54.4 42.8 24.6 69 72 A F > - 0 0 1 -2,-0.3 4,-1.2 1,-0.1 5,-0.4 -0.804 20.2-145.5 -81.3 121.0 57.2 44.8 26.3 70 73 A K T 4 S+ 0 0 92 -2,-0.6 -1,-0.1 3,-0.1 274,-0.0 0.748 93.5 24.6 -60.2 -27.3 58.1 47.6 23.9 71 74 A G T >> S+ 0 0 0 2,-0.1 3,-1.0 3,-0.1 4,-0.5 0.840 124.9 42.0-100.2 -64.5 61.7 47.4 24.8 72 75 A I T 34 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.2 -2,-0.1 0.796 123.0 36.6 -53.7 -42.5 62.5 43.9 26.2 73 76 A D T 3< S+ 0 0 1 -4,-1.2 803,-0.5 1,-0.2 -1,-0.3 0.599 100.1 79.7 -90.2 -9.2 60.6 41.9 23.7 74 77 A A T <4 + 0 0 2 -3,-1.0 -70,-2.8 -5,-0.4 -1,-0.2 0.641 62.6 104.0 -75.2 -17.1 61.3 44.1 20.7 75 78 A L < - 0 0 0 -4,-0.5 801,-0.2 -3,-0.4 344,-0.1 -0.533 59.2-154.2 -69.3 125.2 64.8 42.8 20.0 76 79 A P S S+ 0 0 4 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.773 73.0 66.1 -70.9 -34.8 64.7 40.6 16.9 77 80 A L E +C 418 0A 2 341,-1.8 341,-2.9 797,-0.1 2,-0.3 -0.850 66.5 171.7 -98.8 120.7 67.7 38.3 17.4 78 81 A T E +C 417 0A 0 -2,-0.6 350,-0.7 447,-0.5 447,-0.5 -0.941 6.8 152.2-126.9 154.5 67.3 36.1 20.4 79 82 A G E -Cd 416 428A 0 337,-2.9 337,-1.5 -2,-0.3 2,-0.4 -0.770 37.1-106.7-155.4-165.5 69.3 33.2 21.8 80 83 A Q E -Cd 415 429A 1 348,-2.7 350,-2.0 335,-0.2 2,-0.3 -0.987 29.9-169.2-139.4 129.5 70.1 31.4 25.0 81 84 A Y E -Cd 414 430A 0 333,-2.4 333,-1.7 -2,-0.4 2,-0.3 -0.860 16.0-130.3-121.9 159.2 73.4 31.5 26.9 82 85 A T E - d 0 431A 6 348,-1.8 350,-2.3 -2,-0.3 331,-0.1 -0.766 15.1-175.9-101.2 153.2 75.0 29.6 29.8 83 86 A H + 0 0 3 -2,-0.3 14,-0.2 328,-0.3 22,-0.1 -0.017 20.4 154.0-140.8 30.6 76.7 31.3 32.7 84 87 A Y - 0 0 10 428,-0.1 11,-0.2 12,-0.1 2,-0.1 -0.251 29.3-147.8 -58.8 154.6 78.2 28.6 35.0 85 88 A A E -J 94 0B 2 9,-2.8 9,-1.7 26,-0.1 2,-0.3 -0.189 16.7-104.3-104.9-161.5 81.2 29.7 37.1 86 89 A L E -Jk 93 113B 1 26,-1.8 28,-0.6 7,-0.3 2,-0.5 -0.947 21.2-114.6-131.9 151.0 84.3 27.7 38.3 87 90 A N > - 0 0 59 5,-2.8 4,-2.4 -2,-0.3 5,-0.1 -0.759 25.0-142.0 -80.2 129.5 85.3 26.2 41.6 88 91 A K T 4 S+ 0 0 79 -2,-0.5 -1,-0.2 1,-0.2 25,-0.0 0.932 97.1 40.9 -58.7 -46.6 88.4 28.1 42.7 89 92 A K T 4 S+ 0 0 179 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.931 129.0 24.9 -68.8 -50.4 90.1 25.0 44.1 90 93 A T T 4 S- 0 0 80 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.733 86.3-134.6 -91.5 -26.5 89.2 22.5 41.4 91 94 A G < + 0 0 13 -4,-2.4 -3,-0.1 1,-0.3 3,-0.1 0.544 62.6 133.0 82.1 1.3 88.7 24.5 38.3 92 95 A K - 0 0 83 1,-0.1 -5,-2.8 -5,-0.1 -1,-0.3 -0.439 68.4 -81.5 -80.9 159.4 85.6 22.4 37.7 93 96 A P E -J 86 0B 9 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.295 30.4-154.0 -63.9 151.0 82.3 24.2 36.7 94 97 A D E -J 85 0B 38 -9,-1.7 -9,-2.8 -3,-0.1 748,-0.1 -0.946 14.1-151.9-125.1 95.5 80.2 25.6 39.5 95 98 A Y S S+ 0 0 8 -2,-0.5 2,-0.6 746,-0.3 -12,-0.2 0.653 77.4 56.4 -48.1 -28.2 76.7 25.5 38.0 96 99 A V S S- 0 0 11 725,-0.1 2,-0.2 -12,-0.1 315,-0.1 -0.945 75.7-162.2-115.9 118.1 75.2 28.4 39.8 97 100 A T - 0 0 3 -2,-0.6 2,-0.2 313,-0.2 312,-0.1 -0.475 9.7-135.8 -91.7 161.5 77.0 31.7 39.5 98 101 A D > - 0 0 21 -2,-0.2 4,-1.4 1,-0.0 5,-0.2 -0.457 37.9 -94.6-102.7-173.9 76.9 34.8 41.6 99 102 A S H > S+ 0 0 2 -2,-0.2 4,-1.8 2,-0.2 5,-0.2 0.811 120.0 52.3 -72.1 -28.4 76.8 38.3 40.2 100 103 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 18,-0.3 0.972 109.3 44.9 -74.9 -51.9 80.5 38.9 40.4 101 104 A A H > S+ 0 0 4 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.869 116.4 48.1 -61.5 -35.3 81.7 35.8 38.5 102 105 A S H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 5,-0.2 0.924 110.2 48.9 -73.8 -42.9 79.1 36.3 35.8 103 106 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.891 109.7 54.6 -63.5 -36.4 79.8 40.0 35.3 104 107 A T H X>S+ 0 0 0 -4,-2.3 4,-2.7 12,-0.3 6,-0.5 0.922 102.8 58.8 -63.1 -38.0 83.6 39.1 35.0 105 108 A A H X5S+ 0 0 2 -4,-1.5 4,-1.4 1,-0.2 331,-0.3 0.863 112.8 34.6 -60.3 -44.5 82.8 36.6 32.3 106 109 A W H <5S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.787 119.8 51.7 -85.0 -24.8 81.2 39.0 29.9 107 110 A S H <5S+ 0 0 0 -4,-2.0 22,-2.4 -5,-0.2 -2,-0.2 0.786 129.7 14.3 -82.9 -22.9 83.5 41.9 30.9 108 111 A T H <5S- 0 0 7 -4,-2.7 -3,-0.2 20,-0.2 -2,-0.2 0.541 93.7-122.9-124.1 -12.2 86.8 40.0 30.4 109 112 A G S < -k 86 0B 20 -2,-0.3 3,-2.1 6,-0.2 -26,-0.1 -0.546 57.2 -85.5 -91.3 158.7 85.1 31.8 40.8 114 117 A N T 3 S+ 0 0 54 -28,-0.6 -1,-0.1 1,-0.3 3,-0.1 -0.394 116.6 22.6 -62.7 126.7 82.1 33.1 42.7 115 118 A G T 3 S+ 0 0 11 1,-0.4 48,-1.9 -2,-0.1 -1,-0.3 0.150 93.7 124.0 103.4 -17.1 82.9 36.4 44.4 116 119 A A < - 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0 0 0 -4,-2.3 2,-0.4 2,-0.1 30,-0.1 -0.860 47.0-162.1-132.7 158.0 87.9 46.8 39.3 159 162 A H + 0 0 11 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.908 33.3 143.2-138.6 105.0 90.0 43.8 40.0 160 163 A V B -L 117 0C 0 -43,-2.2 -43,-2.4 -2,-0.4 -41,-0.2 -0.971 53.7-126.4-143.2 151.1 89.7 42.3 43.5 161 164 A T S S+ 0 0 32 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.1 0.671 98.2 36.6 -71.9 -21.1 89.7 38.7 44.9 162 165 A S > - 0 0 27 -46,-0.1 3,-1.9 -45,-0.1 -46,-0.2 -0.985 67.8-143.0-138.9 134.9 86.4 39.3 46.7 163 166 A R T 3 S+ 0 0 65 -48,-1.9 -47,-0.1 -2,-0.4 -1,-0.1 0.660 97.3 73.3 -65.7 -19.2 83.4 41.3 45.7 164 167 A K T 3 + 0 0 122 1,-0.2 2,-2.3 -49,-0.1 3,-0.3 0.580 67.1 98.2 -71.0 -12.8 83.0 42.4 49.4 165 168 A a < + 0 0 0 -3,-1.9 23,-2.4 1,-0.2 24,-0.2 -0.374 43.6 151.5 -77.5 62.8 86.0 44.8 49.1 166 169 A Y - 0 0 67 -2,-2.3 23,-2.4 21,-0.2 -1,-0.2 0.900 63.1 -9.8 -57.3 -59.1 83.8 47.8 48.6 167 170 A G S >> S- 0 0 0 -3,-0.3 4,-2.4 21,-0.2 3,-0.8 -0.758 93.5 -65.1-133.3-175.4 86.1 50.5 50.1 168 171 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 123.4 50.5 -42.2 -56.6 89.3 50.8 52.1 169 172 A S H 3> S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.828 115.6 41.5 -60.1 -34.2 88.2 49.2 55.4 170 173 A A H <>>S+ 0 0 19 -3,-0.8 4,-3.8 2,-0.2 5,-0.6 0.851 112.3 54.8 -80.4 -34.0 86.8 46.1 53.8 171 174 A T H X5S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 8,-0.3 0.950 104.3 53.9 -64.1 -43.0 89.7 45.7 51.3 172 175 A S H <5S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.848 120.2 34.2 -57.3 -34.2 92.2 45.8 54.2 173 176 A E H <5S+ 0 0 153 -4,-0.8 -2,-0.2 -5,-0.2 -1,-0.2 0.872 133.2 23.7 -90.3 -44.6 90.3 43.0 55.8 174 177 A K H <5S+ 0 0 88 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.826 132.4 31.8 -93.4 -40.1 89.0 40.9 52.9 175 178 A a >X< + 0 0 0 -4,-1.7 3,-2.0 -5,-0.6 4,-1.6 -0.500 64.2 159.8-120.4 65.4 91.4 41.8 50.0 176 179 A P G >4 S+ 0 0 57 0, 0.0 3,-0.7 0, 0.0 8,-0.3 0.910 77.2 55.2 -50.8 -49.2 94.8 42.5 51.8 177 180 A G G 34 S+ 0 0 59 1,-0.3 8,-0.2 -3,-0.2 -5,-0.1 0.672 112.9 42.3 -60.5 -18.5 96.6 41.9 48.6 178 181 A N G <4 S+ 0 0 11 -3,-2.0 8,-2.8 -7,-0.3 -1,-0.3 0.615 88.0 119.3 -98.8 -18.7 94.5 44.6 46.9 179 182 A A X<> - 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