==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-08 3CMR . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.J.O'BRIEN,J.K.LASSILA,T.D.FENN,J.G.ZALATAN,D.HERSCHLAG . 890 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 50 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 5 1 3 8 2 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 2 6 0 6 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 . 10 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 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 4 A M 0 0 73 0, 0.0 32,-0.2 0, 0.0 356,-0.1 0.000 360.0 360.0 360.0 119.0 33.6 -20.6 -20.3 2 5 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 418,-0.2 -0.378 360.0-145.9 -77.3 151.8 35.8 -20.9 -23.4 3 6 A V - 0 0 11 72,-0.1 2,-0.5 -2,-0.1 72,-0.2 -0.904 40.2 -94.9-104.3 144.6 39.3 -22.5 -23.6 4 7 A L - 0 0 23 70,-2.0 3,-0.2 -2,-0.4 69,-0.0 -0.443 43.3-166.9 -56.0 109.9 41.9 -20.9 -26.0 5 8 A E - 0 0 134 -2,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.857 65.3 -3.4 -76.8 -35.0 41.2 -23.2 -29.0 6 9 A N + 0 0 88 15,-0.1 -1,-0.2 67,-0.1 64,-0.0 -0.519 52.0 164.1-167.9 91.3 44.2 -22.4 -31.2 7 10 A R + 0 0 13 -3,-0.2 2,-0.1 -2,-0.1 62,-0.1 -0.149 41.3 127.2-102.0 36.6 46.9 -19.8 -30.5 8 11 A A S S- 0 0 21 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.460 81.3 -74.0 -75.6 161.4 49.4 -21.2 -33.1 9 12 A A - 0 0 23 57,-3.3 12,-0.2 1,-0.1 10,-0.2 -0.355 47.7-142.1 -50.1 135.0 50.8 -18.8 -35.7 10 13 A Q - 0 0 81 10,-2.2 9,-0.2 7,-0.3 2,-0.2 0.654 63.3 -16.9 -89.2 -13.9 47.8 -18.2 -38.0 11 14 A G S S- 0 0 47 7,-2.9 2,-0.9 9,-0.2 7,-0.1 -0.529 108.2 -11.2-151.8-139.9 49.6 -18.1 -41.4 12 15 A D > - 0 0 91 -2,-0.2 3,-2.5 1,-0.2 6,-0.4 -0.713 52.3-152.7 -80.2 103.5 52.9 -17.7 -43.2 13 16 A I T 3 S+ 0 0 31 -2,-0.9 544,-0.5 5,-0.3 6,-0.2 0.616 93.4 59.0 -58.1 -11.6 55.2 -16.4 -40.4 14 17 A T T 3 S+ 0 0 24 4,-0.1 553,-0.4 542,-0.1 -1,-0.3 0.590 97.9 71.0 -87.1 -15.1 57.3 -14.6 -43.1 15 18 A A S X S- 0 0 34 -3,-2.5 3,-1.8 1,-0.1 4,-0.4 -0.629 103.0 -77.7-102.3 159.0 54.4 -12.5 -44.3 16 19 A P T 3 S+ 0 0 71 0, 0.0 540,-0.2 0, 0.0 -4,-0.1 -0.321 117.4 2.0 -54.9 129.1 52.7 -9.5 -42.5 17 20 A G T > S+ 0 0 14 538,-2.4 3,-1.6 -4,-0.1 -7,-0.3 0.315 97.4 114.7 80.5 -9.5 50.3 -10.9 -39.8 18 21 A G T < S+ 0 0 8 -3,-1.8 -7,-2.9 -6,-0.4 -5,-0.3 0.738 74.0 51.6 -72.0 -21.3 51.2 -14.6 -40.5 19 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.3 536,-0.3 860,-0.2 0.274 81.7 125.2 -95.3 8.6 52.8 -15.0 -37.1 20 23 A R < - 0 0 67 -3,-1.6 -10,-2.2 859,-0.1 -9,-0.2 -0.458 43.6-167.2 -66.4 138.1 49.8 -13.7 -35.2 21 24 A R S S+ 0 0 3 -12,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.617 71.8 71.3 -94.9 -20.5 48.4 -16.0 -32.6 22 25 A L - 0 0 10 855,-0.1 -12,-0.1 1,-0.1 3,-0.1 -0.734 54.8-169.9 -98.9 146.5 45.2 -13.9 -32.3 23 26 A T - 0 0 107 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.433 69.9 -28.0-111.9 -2.4 42.5 -13.6 -34.9 24 27 A G S S- 0 0 32 847,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.980 93.6 -25.0 173.3-174.5 40.6 -10.7 -33.3 25 28 A D - 0 0 68 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.308 39.5-163.4 -63.7 133.4 39.7 -8.8 -30.2 26 29 A Q > + 0 0 28 842,-0.2 4,-2.5 1,-0.2 5,-0.3 0.383 63.1 97.5 -98.4 0.1 39.8 -10.7 -26.9 27 30 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 88.5 46.0 -59.0 -47.6 37.7 -8.5 -24.6 28 31 A A H > S+ 0 0 51 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 114.2 46.2 -55.3 -54.2 34.5 -10.5 -25.1 29 32 A A H > S+ 0 0 34 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.889 113.7 49.0 -60.9 -41.4 36.1 -13.9 -24.6 30 33 A L H >< S+ 0 0 9 -4,-2.5 3,-1.3 2,-0.2 4,-0.4 0.929 109.5 51.7 -67.0 -44.1 38.0 -12.8 -21.5 31 34 A R H >< S+ 0 0 101 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.949 109.1 51.4 -53.2 -49.1 34.8 -11.3 -20.0 32 35 A D H 3< S+ 0 0 108 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.633 103.2 61.3 -63.6 -14.9 33.2 -14.7 -20.7 33 36 A S T << S+ 0 0 5 -3,-1.3 2,-0.6 -4,-0.5 387,-0.3 0.481 86.3 90.6 -87.8 -2.7 36.1 -16.3 -18.9 34 37 A L < + 0 0 11 -3,-1.9 2,-0.4 -4,-0.4 -1,-0.0 -0.844 46.3 151.3-105.2 112.6 35.4 -14.6 -15.6 35 38 A S - 0 0 23 -2,-0.6 387,-2.7 385,-0.4 389,-0.3 -0.999 29.5-168.3-139.5 138.9 33.1 -16.3 -13.1 36 39 A D + 0 0 89 -2,-0.4 3,-0.1 385,-0.2 -1,-0.0 0.091 50.8 122.0-110.6 20.7 33.0 -16.1 -9.3 37 40 A K S S- 0 0 74 1,-0.1 -2,-0.1 0, 0.0 2,-0.0 -0.376 76.1 -76.5 -73.2 163.8 30.6 -19.0 -8.8 38 41 A P - 0 0 95 0, 0.0 2,-0.6 0, 0.0 405,-0.2 -0.300 36.6-126.7 -61.6 140.6 32.0 -21.8 -6.6 39 42 A A - 0 0 5 403,-2.1 320,-0.2 1,-0.2 3,-0.1 -0.815 18.6-170.6 -77.6 120.1 34.5 -24.3 -7.9 40 43 A K S S+ 0 0 77 318,-2.6 274,-0.4 -2,-0.6 2,-0.3 0.868 75.9 19.2 -68.5 -41.6 33.0 -27.8 -7.3 41 44 A N E -a 359 0A 4 317,-1.6 319,-2.4 272,-0.2 2,-0.4 -0.899 64.8-157.6-130.5 155.6 36.4 -29.3 -8.3 42 45 A I E -ab 360 315A 0 272,-2.0 274,-2.7 -2,-0.3 2,-0.5 -0.997 2.8-170.9-134.5 133.1 40.0 -28.2 -8.5 43 46 A I E -ab 361 316A 0 317,-2.4 319,-2.4 -2,-0.4 2,-0.6 -0.976 9.0-169.0-121.3 112.5 42.7 -29.8 -10.6 44 47 A L E -ab 362 317A 0 272,-2.7 274,-2.9 -2,-0.5 2,-0.5 -0.921 2.0-168.2-103.5 117.1 46.2 -28.3 -9.9 45 48 A L E -ab 363 318A 0 317,-3.6 319,-2.0 -2,-0.6 2,-0.5 -0.934 2.8-169.5-111.5 122.2 48.9 -29.4 -12.4 46 49 A I E -ab 364 319A 0 272,-2.4 274,-2.7 -2,-0.5 2,-0.7 -0.945 14.0-160.2-111.6 125.2 52.5 -28.6 -11.4 47 50 A G E > - b 0 320A 0 317,-2.5 3,-2.2 -2,-0.5 319,-0.5 -0.938 32.8-127.7 -97.1 110.6 55.4 -28.9 -13.9 48 51 A D T 3 S- 0 0 2 272,-2.1 276,-1.1 -2,-0.7 3,-0.1 -0.474 89.0 -2.3 -67.1 120.5 58.3 -29.1 -11.5 49 52 A G T 3 S+ 0 0 0 -2,-0.3 2,-1.9 318,-0.2 -1,-0.3 0.582 91.3 148.4 77.7 11.2 60.9 -26.5 -12.5 50 53 A M < + 0 0 4 -3,-2.2 -1,-0.2 314,-0.1 -3,-0.2 -0.486 18.1 165.5 -88.2 75.0 58.7 -25.6 -15.5 51 54 A G > - 0 0 1 -2,-1.9 4,-2.2 363,-0.1 3,-0.4 -0.183 57.7 -88.0 -74.1 175.6 59.5 -21.9 -15.9 52 55 A D H > S+ 0 0 8 361,-0.2 4,-2.5 1,-0.2 807,-0.5 0.844 129.1 57.6 -56.0 -35.0 58.7 -19.9 -19.0 53 56 A S H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 105.4 48.1 -58.3 -49.0 62.0 -20.9 -20.4 54 57 A E H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.905 112.0 51.0 -60.5 -44.6 61.2 -24.6 -20.1 55 58 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.931 112.8 45.2 -56.0 -52.2 57.7 -24.0 -21.7 56 59 A T H X S+ 0 0 3 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.900 111.5 50.7 -60.3 -46.4 59.2 -22.2 -24.6 57 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.934 113.6 46.5 -61.7 -46.0 62.0 -24.6 -25.3 58 61 A A H X>S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.5 0.925 113.3 48.1 -62.1 -46.1 59.5 -27.5 -25.3 59 62 A R H X>S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-1.6 0.966 112.0 50.6 -57.0 -49.2 57.1 -25.6 -27.6 60 63 A N H <5S+ 0 0 5 -4,-3.2 331,-0.5 3,-0.2 330,-0.5 0.894 118.2 37.6 -57.2 -43.9 59.9 -24.8 -29.9 61 64 A Y H <5S+ 0 0 21 -4,-2.2 329,-1.9 328,-0.2 -1,-0.2 0.950 127.1 30.7 -73.8 -53.3 61.1 -28.3 -30.2 62 65 A A H <5S+ 0 0 20 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.863 138.8 14.4 -81.0 -38.4 57.9 -30.3 -30.1 63 66 A E T < < - 0 0 0 -5,-1.6 3,-1.9 -4,-0.3 -1,-0.2 -0.047 41.8 -73.6 90.1 157.7 57.7 -25.3 -33.5 65 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -5,-0.3 -5,-0.1 0.860 137.4 38.7 -56.4 -41.1 58.2 -21.7 -32.4 66 69 A G T 3 S+ 0 0 12 -6,-0.1 -57,-3.3 -3,-0.1 -1,-0.3 0.191 98.4 108.0 -95.6 9.5 54.8 -20.7 -33.7 67 70 A G < - 0 0 11 -3,-1.9 2,-0.3 -59,-0.2 -3,-0.1 -0.070 61.1-131.0 -72.5-171.0 53.1 -23.9 -32.5 68 71 A F - 0 0 12 -5,-0.1 2,-0.8 -60,-0.1 -60,-0.1 -0.968 7.2-132.8-154.9 117.2 50.7 -24.2 -29.6 69 72 A F > - 0 0 2 -2,-0.3 4,-1.4 1,-0.1 5,-0.4 -0.714 18.8-151.6 -72.7 110.4 50.4 -26.6 -26.6 70 73 A K T 4 S+ 0 0 146 -2,-0.8 -1,-0.1 3,-0.2 274,-0.0 0.659 92.2 25.2 -62.1 -19.1 46.8 -27.6 -26.6 71 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.6 3,-0.1 4,-0.5 0.760 126.5 39.8-101.2 -70.8 46.9 -28.1 -22.9 72 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.6 2,-0.2 -2,-0.1 0.860 125.1 36.7 -46.9 -49.5 49.7 -25.9 -21.4 73 76 A D G 3< S+ 0 0 0 -4,-1.4 802,-0.5 1,-0.2 -1,-0.3 0.441 100.2 78.2 -87.0 -0.7 49.0 -22.8 -23.6 74 77 A A G < + 0 0 3 -3,-1.6 -70,-2.0 -5,-0.4 -1,-0.2 0.484 60.8 107.9 -96.1 -7.1 45.2 -23.1 -23.8 75 78 A L < - 0 0 0 -3,-0.6 800,-0.2 -4,-0.5 344,-0.2 -0.622 58.3-153.7 -72.4 124.8 44.4 -21.6 -20.3 76 79 A P S S+ 0 0 3 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.770 72.7 65.7 -75.5 -28.3 42.9 -18.1 -20.9 77 80 A L E +C 418 0A 2 341,-1.8 341,-2.4 796,-0.1 2,-0.3 -0.878 67.2 173.5-107.5 122.1 43.8 -16.4 -17.6 78 81 A T E +CD 417 524A 0 -2,-0.6 350,-0.8 446,-0.5 446,-0.6 -0.918 10.3 149.6-134.1 147.6 47.5 -15.8 -17.0 79 82 A G E -Ce 416 428A 0 337,-2.4 337,-1.8 -2,-0.3 2,-0.4 -0.841 38.9-105.2-153.3-169.3 49.9 -14.1 -14.6 80 83 A Q E -Ce 415 429A 0 348,-1.9 350,-1.7 -2,-0.2 2,-0.3 -1.000 33.2-165.3-130.1 131.2 53.3 -14.3 -13.0 81 84 A Y E -Ce 414 430A 0 333,-2.5 333,-1.4 -2,-0.4 2,-0.4 -0.875 15.8-126.0-124.8 158.5 53.9 -15.5 -9.4 82 85 A T E + e 0 431A 4 348,-1.7 350,-2.8 -2,-0.3 351,-0.3 -0.807 19.0 178.5-104.4 140.2 56.7 -15.4 -6.9 83 86 A H + 0 0 2 -2,-0.4 14,-0.2 328,-0.3 22,-0.1 0.051 22.1 150.7-132.3 24.6 58.0 -18.5 -5.1 84 87 A Y - 0 0 9 427,-0.1 11,-0.2 327,-0.1 2,-0.1 -0.255 31.8-147.6 -59.5 147.5 60.9 -17.2 -2.9 85 88 A A E -T 94 0B 2 9,-2.2 9,-2.3 26,-0.1 2,-0.4 -0.177 16.0-103.5 -95.2-165.2 61.4 -19.3 0.3 86 89 A L E -Tu 93 113B 0 26,-2.0 28,-0.6 7,-0.3 2,-0.6 -0.952 21.1-117.0-122.8 146.1 62.6 -18.2 3.8 87 90 A N > - 0 0 59 5,-3.1 4,-3.2 -2,-0.4 5,-0.2 -0.733 25.9-141.7 -75.3 124.4 65.9 -18.6 5.5 88 91 A K T 4 S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 25,-0.1 0.817 95.9 46.1 -61.3 -35.3 65.1 -20.7 8.5 89 92 A K T 4 S+ 0 0 200 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.892 126.5 24.0 -74.3 -41.9 67.4 -18.8 10.8 90 93 A T T 4 S- 0 0 87 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.1 0.714 87.1-132.8 -99.1 -26.0 66.5 -15.2 9.9 91 94 A G < + 0 0 8 -4,-3.2 -3,-0.1 1,-0.3 3,-0.1 0.349 66.7 128.6 77.7 -5.0 62.9 -15.5 8.5 92 95 A K S S- 0 0 91 -5,-0.2 -5,-3.1 1,-0.1 -1,-0.3 -0.349 70.8 -76.9 -74.7 160.9 64.2 -13.3 5.6 93 96 A P E -T 86 0B 8 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.303 30.5-156.3 -62.1 143.9 63.6 -14.2 2.1 94 97 A D E -T 85 0B 29 -9,-2.3 -9,-2.2 -3,-0.1 747,-0.1 -0.995 15.9-149.8-116.4 111.5 65.7 -16.9 0.4 95 98 A Y S S+ 0 0 6 -2,-0.5 2,-0.5 745,-0.4 -12,-0.2 0.666 79.0 55.5 -74.1 -17.7 65.4 -16.0 -3.2 96 99 A V S S- 0 0 9 724,-0.1 -1,-0.2 -12,-0.1 2,-0.1 -0.916 74.8-161.8-117.8 108.8 65.8 -19.5 -4.6 97 100 A T - 0 0 2 -2,-0.5 2,-0.2 -14,-0.2 -13,-0.1 -0.412 10.5-136.1 -79.1 154.1 63.4 -22.1 -3.3 98 101 A D > - 0 0 38 -2,-0.1 4,-1.4 1,-0.0 5,-0.2 -0.448 38.6 -96.7 -93.2 177.8 63.6 -25.9 -3.4 99 102 A S H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.814 119.9 56.3 -70.0 -28.6 60.6 -28.1 -4.3 100 103 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 18,-0.3 0.952 108.4 44.3 -68.0 -50.1 59.7 -28.7 -0.6 101 104 A A H > S+ 0 0 3 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.852 116.3 47.8 -63.6 -38.0 59.3 -25.1 0.5 102 105 A S H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 3,-0.4 0.938 110.6 48.9 -72.1 -46.4 57.4 -24.1 -2.6 103 106 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.3 -2,-0.2 0.902 110.0 54.1 -60.3 -37.4 54.9 -27.0 -2.4 104 107 A T H X S+ 0 0 0 -4,-2.2 4,-1.4 12,-0.3 6,-0.6 0.857 103.0 59.3 -61.5 -34.1 54.4 -26.2 1.2 105 108 A A H X S+ 0 0 2 -4,-1.2 4,-2.0 -3,-0.4 331,-0.2 0.937 113.3 33.0 -65.9 -49.0 53.6 -22.6 0.2 106 109 A W H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 121.0 50.3 -78.3 -23.3 50.6 -23.4 -2.1 107 110 A S H < S+ 0 0 0 -4,-1.8 22,-2.2 -5,-0.2 -2,-0.2 0.679 129.7 16.8 -89.6 -12.8 49.4 -26.4 -0.1 108 111 A T H < S- 0 0 6 -4,-1.4 -3,-0.2 20,-0.2 -2,-0.2 0.588 92.3-124.4-133.2 -26.3 49.4 -24.6 3.2 109 112 A G S < S+ 0 0 1 -4,-2.0 354,-2.4 -5,-0.5 2,-0.4 0.575 76.5 106.5 82.3 9.7 49.5 -20.9 2.6 110 113 A V - 0 0 2 -6,-0.6 -1,-0.2 352,-0.2 -2,-0.2 -0.982 67.6-128.6-120.4 133.3 52.6 -20.3 4.7 111 114 A K + 0 0 3 348,-0.6 10,-0.4 -2,-0.4 2,-0.2 -0.433 37.4 171.6 -66.4 154.5 56.1 -19.6 3.5 112 115 A T - 0 0 1 -11,-0.2 -26,-2.0 8,-0.2 2,-0.2 -0.882 31.4 -74.6-153.3-178.3 58.8 -21.8 4.9 113 116 A Y B > -u 86 0B 16 -2,-0.2 3,-2.3 -28,-0.2 -26,-0.2 -0.535 59.2 -81.7 -83.9 153.3 62.5 -22.8 4.7 114 117 A N T 3 S+ 0 0 55 -28,-0.6 -1,-0.1 1,-0.3 3,-0.1 -0.239 117.7 22.0 -52.3 128.2 64.1 -24.9 2.0 115 118 A G T 3 S+ 0 0 10 1,-0.3 48,-2.5 47,-0.1 -1,-0.3 0.233 91.4 126.4 95.7 -12.8 63.6 -28.6 2.7 116 119 A A < - 0 0 0 -3,-2.3 2,-0.4 46,-0.2 -1,-0.3 -0.550 41.3-161.4 -78.6 143.4 60.5 -28.2 5.0 117 120 A L B S-V 160 0C 0 43,-2.1 43,-2.0 -2,-0.2 -16,-0.1 -0.965 72.0 -22.1-127.5 110.2 57.2 -30.1 4.3 118 121 A G S S+ 0 0 0 -2,-0.4 8,-1.9 -18,-0.3 2,-0.3 0.652 114.6 99.4 67.7 17.6 53.9 -28.8 5.8 119 122 A V B -W 125 0D 2 41,-0.2 6,-0.2 6,-0.2 -1,-0.2 -0.922 65.6-133.1-129.1 153.8 55.8 -27.0 8.6 120 123 A D > - 0 0 7 4,-1.8 3,-2.6 -2,-0.3 -8,-0.2 -0.335 47.1 -79.7 -94.8-175.5 56.7 -23.3 9.0 121 124 A I T 3 S+ 0 0 17 -10,-0.4 -9,-0.1 339,-0.3 -30,-0.0 0.703 132.7 56.2 -63.2 -20.1 60.1 -21.9 10.0 122 125 A H T 3 S- 0 0 104 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.376 119.4-113.2 -86.2 6.2 59.4 -22.6 13.7 123 126 A E < + 0 0 95 -3,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.723 67.7 148.0 63.8 25.4 58.8 -26.3 12.6 124 127 A K - 0 0 128 1,-0.0 -4,-1.8 37,-0.0 -1,-0.2 -0.760 48.3-117.2 -90.0 140.3 55.0 -26.0 13.5 125 128 A D B -W 119 0D 56 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.333 28.0-169.6 -73.8 146.4 52.6 -28.1 11.4 126 129 A H - 0 0 36 -8,-1.9 -17,-0.1 -16,-0.0 -16,-0.0 -0.988 28.6-103.4-135.5 145.6 50.0 -26.4 9.3 127 130 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 30,-0.1 -0.348 33.7-130.6 -74.6 151.7 47.1 -28.1 7.5 128 131 A T > - 0 0 0 28,-0.2 4,-2.8 1,-0.1 -20,-0.2 -0.616 19.2-114.7 -99.5 159.2 47.2 -28.8 3.8 129 132 A I H > S+ 0 0 0 -22,-2.2 4,-2.2 1,-0.2 5,-0.1 0.825 118.1 52.8 -57.1 -35.3 44.6 -28.0 1.1 130 133 A L H > S+ 0 0 0 2,-0.2 4,-2.4 26,-0.2 -1,-0.2 0.897 110.1 47.5 -67.1 -41.2 44.2 -31.8 0.6 131 134 A E H > S+ 0 0 56 25,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.912 113.1 48.4 -64.2 -45.4 43.5 -32.4 4.3 132 135 A M H X S+ 0 0 40 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.898 110.9 51.5 -62.4 -40.9 41.1 -29.5 4.4 133 136 A A H <>S+ 0 0 0 -4,-2.2 5,-2.2 -5,-0.2 3,-0.5 0.952 111.0 47.6 -58.3 -50.6 39.3 -30.9 1.3 134 137 A K H ><5S+ 0 0 64 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.923 107.7 55.9 -57.8 -48.4 39.0 -34.3 2.9 135 138 A A H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.7 53.8 -52.6 -36.0 37.7 -32.7 6.0 136 139 A A T 3<5S- 0 0 39 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.301 124.9 -99.0 -85.6 9.7 34.9 -31.0 4.0 137 140 A G T < 5S+ 0 0 41 -3,-2.0 175,-0.3 1,-0.3 -3,-0.2 0.479 78.6 138.0 85.0 5.2 33.7 -34.3 2.5 138 141 A L < - 0 0 12 -5,-2.2 -1,-0.3 -6,-0.2 176,-0.2 -0.530 57.3-111.7 -83.3 148.2 35.5 -33.8 -0.9 139 142 A A E -f 314 0A 5 174,-2.3 176,-2.5 168,-0.2 2,-0.4 -0.443 35.1-152.3 -70.8 149.2 37.4 -36.6 -2.8 140 143 A T E -f 315 0A 0 174,-0.2 59,-2.2 -2,-0.1 58,-0.7 -0.992 13.5-173.8-134.4 133.8 41.2 -36.1 -2.9 141 144 A G E -fg 316 199A 0 174,-2.4 176,-2.2 -2,-0.4 2,-0.4 -0.987 7.5-173.8-130.8 145.0 43.8 -37.1 -5.4 142 145 A N E +fg 317 200A 0 57,-2.2 59,-2.2 -2,-0.4 2,-0.3 -0.947 16.8 171.2-141.1 108.1 47.6 -36.9 -5.3 143 146 A V E +fg 318 201A 0 174,-2.6 176,-1.7 -2,-0.4 2,-0.3 -0.939 3.1 155.5-131.3 138.8 49.4 -37.9 -8.5 144 147 A S E -f 319 0A 0 57,-2.2 176,-0.2 -2,-0.3 4,-0.1 -0.979 45.5-138.0-158.6 151.8 53.1 -37.6 -9.6 145 148 A T E S+ 0 0 5 174,-1.6 116,-3.1 -2,-0.3 2,-0.1 0.474 88.7 82.9 -88.6 -8.5 55.7 -39.1 -11.8 146 149 A A E S- 0 0 0 173,-0.3 57,-2.2 114,-0.2 -2,-0.1 -0.478 104.2 -74.2 -80.3 161.5 58.1 -38.8 -8.9 147 150 A E E > - g 0 203A 39 55,-0.2 3,-2.1 -2,-0.1 57,-0.3 -0.379 49.2-121.1 -33.1 130.9 58.6 -41.1 -5.9 148 151 A L T 3 S+ 0 0 0 55,-2.0 56,-0.1 1,-0.3 -1,-0.1 0.728 113.2 58.3 -69.9 -16.5 55.5 -40.4 -3.8 149 152 A Q T 3 S+ 0 0 2 4,-0.1 -1,-0.3 5,-0.1 55,-0.1 0.584 82.8 113.2 -78.9 -15.6 57.8 -39.4 -0.9 150 153 A D S <> S- 0 0 23 -3,-2.1 4,-2.3 1,-0.1 5,-0.2 -0.185 85.6 -98.0 -59.8 159.5 59.3 -36.7 -3.1 151 154 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.778 112.7 54.7 -51.3 -43.1 58.7 -33.1 -2.0 152 155 A T H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.955 118.3 29.1 -70.4 -54.8 55.8 -32.2 -4.3 153 156 A P H >4 S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.875 118.5 59.3 -67.7 -35.9 53.3 -35.0 -3.5 154 157 A A H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.8 0.853 92.3 67.0 -56.9 -41.6 54.6 -35.3 0.0 155 158 A A T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.789 96.7 56.9 -55.5 -25.7 53.8 -31.6 0.9 156 159 A L T <4 S+ 0 0 0 -3,-1.2 -25,-0.4 -4,-0.4 -1,-0.3 0.738 124.3 17.1 -75.6 -23.0 50.1 -32.5 0.6 157 160 A V T <4 S+ 0 0 4 -3,-1.8 2,-0.4 -4,-0.4 38,-0.3 0.433 111.5 69.3-133.2 -2.2 50.1 -35.3 3.2 158 161 A A < - 0 0 0 -4,-2.1 2,-0.5 -5,-0.1 -1,-0.1 -0.958 48.3-162.4-132.8 140.6 53.3 -35.0 5.4 159 162 A H + 0 0 5 -2,-0.4 2,-0.3 27,-0.2 -41,-0.2 -0.933 35.5 145.8-121.7 100.6 54.6 -32.6 8.0 160 163 A V B -V 117 0C 0 -43,-2.0 -43,-2.1 -2,-0.5 -41,-0.2 -0.984 54.4-131.2-139.4 150.1 58.3 -33.1 8.5 161 164 A T S S+ 0 0 27 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.696 98.9 34.0 -78.4 -13.5 61.2 -30.8 9.3 162 165 A S > - 0 0 23 -45,-0.1 3,-2.1 -46,-0.1 -1,-0.2 -0.959 67.5-144.2-142.7 128.6 63.2 -32.3 6.4 163 166 A S T 3 S+ 0 0 27 -48,-2.5 -47,-0.1 -2,-0.3 -48,-0.1 0.572 96.7 74.8 -61.8 -11.6 62.0 -33.6 3.1 164 167 A K T 3 + 0 0 138 1,-0.2 2,-2.5 -49,-0.2 3,-0.3 0.576 66.6 100.0 -70.2 -11.2 64.7 -36.3 3.3 165 168 A a < + 0 0 0 -3,-2.1 23,-2.7 1,-0.2 24,-0.3 -0.295 41.3 151.4 -80.7 59.1 62.6 -38.2 5.9 166 169 A Y - 0 0 52 -2,-2.5 23,-2.0 21,-0.2 -1,-0.2 0.896 64.5 -7.5 -57.7 -48.8 61.1 -40.7 3.4 167 170 A G S > S- 0 0 0 -3,-0.3 4,-2.4 21,-0.2 3,-0.2 -0.722 92.7 -68.1-140.9-175.2 60.6 -43.6 5.8 168 171 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.852 123.9 51.6 -50.3 -44.5 61.3 -44.7 9.4 169 172 A S H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.910 113.3 40.8 -64.6 -47.9 65.0 -45.0 9.0 170 173 A A H > S+ 0 0 20 -3,-0.2 4,-3.1 1,-0.2 5,-0.4 0.878 114.7 55.6 -68.4 -35.1 65.7 -41.6 7.5 171 174 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 8,-0.3 0.900 104.3 50.3 -67.0 -43.8 63.2 -40.1 9.9 172 175 A S H < S+ 0 0 30 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.882 118.1 41.9 -61.3 -34.5 64.9 -41.4 13.1 173 176 A E H < S+ 0 0 144 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.950 130.9 18.8 -78.8 -45.0 68.2 -40.1 11.8 174 177 A K H < S+ 0 0 92 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.610 131.9 32.4-110.6 -19.5 67.2 -36.6 10.4 175 178 A a >X + 0 0 0 -4,-2.4 3,-1.8 -5,-0.4 4,-1.2 -0.513 62.5 162.5-134.6 63.6 63.8 -35.7 11.9 176 179 A P T 34 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 8,-0.2 0.831 75.8 60.2 -60.1 -26.0 63.9 -37.2 15.4 177 180 A G T 34 S+ 0 0 61 1,-0.2 8,-0.1 -3,-0.1 -5,-0.1 0.768 109.7 42.0 -68.1 -26.4 61.1 -35.0 16.4 178 181 A N T <4 S+ 0 0 18 -3,-1.8 8,-2.5 -7,-0.3 -1,-0.2 0.570 86.0 119.6 -92.1 -13.7 58.9 -36.5 13.7 179 182 A A ><> - 0 0 0 -4,-1.2 5,-2.4 -8,-0.3 3,-1.6 -0.351 65.0-136.3 -62.5 131.6 60.0 -40.1 14.3 180 183 A L G > 5S+ 0 0 53 1,-0.3 3,-1.8 3,-0.2 -1,-0.1 0.858 104.8 53.7 -57.0 -40.6 57.1 -42.3 15.3 181 184 A E G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.671 106.5 53.3 -72.8 -16.2 59.1 -44.0 18.1 182 185 A K G < 5S- 0 0 110 -3,-1.6 -1,-0.3 -6,-0.2 -2,-0.2 0.194 129.4 -95.4-100.8 13.8 59.9 -40.6 19.5 183 186 A G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.557 83.5 129.6 89.3 7.6 56.3 -39.6 19.6 184 187 A G S - 0 0 0 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.104 67.5 -95.8 -65.2 169.2 58.0 -40.5 8.3 188 191 A I H > S+ 0 0 0 -23,-2.7 4,-2.0 1,-0.2 -21,-0.2 0.892 126.0 48.1 -57.0 -42.6 56.7 -39.1 5.1 189 192 A T H > S+ 0 0 1 -23,-2.0 4,-2.0 -24,-0.3 -1,-0.2 0.877 111.0 49.7 -69.2 -38.7 55.4 -42.5 4.0 190 193 A E H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 112.5 47.5 -66.4 -40.8 53.7 -43.2 7.3 191 194 A Q H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.875 107.7 56.1 -70.1 -36.1 52.0 -39.8 7.3 192 195 A L H X S+ 0 0 4 -4,-2.0 4,-1.6 1,-0.2 5,-0.4 0.901 107.5 49.7 -58.2 -41.4 50.9 -40.4 3.6 193 196 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.2 47.8 -69.4 -32.5 49.2 -43.6 4.8 194 197 A N H < S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 105.1 59.0 -69.8 -42.6 47.5 -41.7 7.7 195 198 A A H < S- 0 0 13 -4,-2.7 -2,-0.2 -38,-0.3 -1,-0.2 0.885 86.7-166.9 -56.2 -42.8 46.3 -38.9 5.3 196 199 A R < - 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