==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC MONOESTER) 02-JUN-95 1ALJ . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.MA,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) . 27371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 57 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 23.4 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 6 4 0 2 3 2 1 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 6 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 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 74 0, 0.0 2,-0.2 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 111.4 67.3 47.2 10.5 2 5 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 418,-0.1 -0.462 360.0-149.8 -80.5 150.0 63.8 46.8 12.0 3 6 A V - 0 0 28 -2,-0.2 2,-0.8 72,-0.1 72,-0.2 -0.755 41.5 -94.3-108.5 153.7 62.7 46.5 15.6 4 7 A L - 0 0 24 70,-2.3 3,-0.2 -2,-0.3 69,-0.0 -0.651 39.9-168.9 -69.5 106.7 59.6 44.4 16.4 5 8 A E S S- 0 0 173 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.898 70.3 -2.1 -66.8 -39.8 57.0 47.2 16.5 6 9 A N + 0 0 89 -3,-0.1 -1,-0.3 15,-0.1 64,-0.0 -0.810 50.8 163.3-161.7 117.7 54.4 45.0 18.0 7 10 A R + 0 0 9 -2,-0.3 2,-0.2 -3,-0.2 3,-0.1 -0.198 42.2 128.0-123.0 35.4 54.3 41.4 19.0 8 11 A A S S- 0 0 19 1,-0.2 59,-0.2 60,-0.1 60,-0.1 -0.471 80.5 -70.4 -83.3 160.1 51.3 41.5 21.2 9 12 A A - 0 0 22 57,-2.8 12,-0.2 1,-0.2 10,-0.2 -0.320 47.8-137.9 -52.6 120.4 48.4 39.1 20.7 10 13 A Q - 0 0 90 10,-3.6 9,-0.2 7,-0.2 -1,-0.2 0.797 65.4 -35.1 -56.8 -27.5 46.9 40.3 17.5 11 14 A G S S+ 0 0 44 7,-3.2 2,-1.1 9,-0.2 7,-0.1 -0.448 106.0 9.1-159.2-135.2 43.3 40.0 18.6 12 15 A D > - 0 0 94 1,-0.2 3,-2.2 4,-0.1 6,-0.4 -0.630 51.6-155.6 -75.2 106.5 40.7 38.1 20.6 13 16 A I T 3 S+ 0 0 29 -2,-1.1 545,-0.6 5,-0.3 6,-0.3 0.749 93.1 56.1 -48.0 -34.5 42.7 35.6 22.6 14 17 A T T 3 S+ 0 0 25 4,-0.1 554,-0.4 543,-0.1 -1,-0.3 0.669 99.2 77.1 -75.9 -19.3 39.6 33.4 22.8 15 18 A A S X> S- 0 0 30 -3,-2.2 3,-2.3 1,-0.1 4,-0.6 -0.585 98.2 -84.1 -93.4 157.7 39.3 33.2 19.1 16 19 A P T 34 S+ 0 0 70 0, 0.0 541,-0.2 0, 0.0 -4,-0.1 -0.316 117.0 2.0 -58.7 129.1 41.2 31.2 16.4 17 20 A G T >4 S+ 0 0 15 539,-2.3 3,-1.0 -4,-0.1 -7,-0.2 0.411 101.0 112.4 72.0 -3.8 44.4 33.1 15.6 18 21 A G T <4 S+ 0 0 6 -3,-2.3 -7,-3.2 -6,-0.4 -5,-0.3 0.827 74.3 52.2 -69.3 -30.5 43.5 35.8 18.1 19 22 A A T 3< S+ 0 0 1 -4,-0.6 -1,-0.2 537,-0.3 862,-0.2 0.467 84.0 124.0 -82.8 -3.8 46.4 34.9 20.3 20 23 A R < - 0 0 68 -3,-1.0 -10,-3.6 536,-0.1 -9,-0.2 -0.253 42.9-169.4 -61.3 144.6 48.9 35.2 17.4 21 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 857,-0.1 -1,-0.1 0.502 70.0 71.4-105.4 -15.2 51.9 37.5 17.8 22 25 A L - 0 0 7 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.727 52.4-173.5-103.2 151.3 52.9 37.2 14.2 23 26 A T S S- 0 0 109 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.299 71.0 -16.8-120.1 -0.8 51.0 38.7 11.2 24 27 A G S S- 0 0 33 848,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.971 95.1 -38.6 178.1-176.1 53.1 37.2 8.5 25 28 A D - 0 0 69 -2,-0.3 4,-0.3 1,-0.1 3,-0.2 -0.465 38.4-159.0 -71.7 135.3 56.3 35.5 7.6 26 29 A Q > + 0 0 25 -2,-0.2 4,-2.4 843,-0.2 5,-0.3 0.519 64.6 97.9 -93.6 -5.5 59.4 36.8 9.3 27 30 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 87.8 45.7 -50.0 -47.5 62.2 35.5 6.9 28 31 A A H > S+ 0 0 56 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 112.3 48.7 -62.7 -49.6 62.5 38.8 5.1 29 32 A A H 4 S+ 0 0 38 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 112.3 49.9 -63.2 -34.8 62.5 41.0 8.2 30 33 A L H >X S+ 0 0 8 -4,-2.4 3,-2.3 2,-0.2 4,-0.6 0.902 105.9 55.7 -68.5 -42.9 65.2 38.7 9.8 31 34 A R H >< S+ 0 0 106 -4,-2.5 3,-1.1 -5,-0.3 -2,-0.2 0.897 106.5 52.2 -57.7 -36.3 67.3 39.0 6.6 32 35 A D T 3< S+ 0 0 106 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.442 103.3 59.1 -74.8 -6.8 67.1 42.8 7.1 33 36 A S T <4 S+ 0 0 6 -3,-2.3 2,-0.6 -32,-0.2 387,-0.3 0.471 85.0 94.5 -97.5 -9.3 68.4 42.3 10.7 34 37 A L << + 0 0 12 -3,-1.1 2,-0.3 -4,-0.6 -4,-0.0 -0.798 44.9 147.6 -91.6 118.7 71.6 40.6 9.7 35 38 A S - 0 0 23 -2,-0.6 387,-3.1 385,-0.4 389,-0.3 -0.964 30.1-172.7-152.3 129.1 74.7 42.9 9.3 36 39 A D + 0 0 85 -2,-0.3 3,-0.1 385,-0.2 -1,-0.1 0.310 50.3 124.0-103.1 5.5 78.4 42.3 9.9 37 40 A K S S- 0 0 62 1,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.200 74.6 -82.0 -60.5 158.9 79.3 45.9 9.5 38 41 A P - 0 0 98 0, 0.0 2,-0.5 0, 0.0 405,-0.2 -0.365 36.4-128.8 -67.2 147.9 81.2 47.5 12.4 39 42 A A - 0 0 5 403,-2.5 320,-0.2 1,-0.2 3,-0.1 -0.832 14.4-167.7 -98.8 126.8 79.4 48.8 15.4 40 43 A K S S+ 0 0 68 318,-2.5 274,-0.4 -2,-0.5 2,-0.3 0.841 75.8 21.7 -79.0 -41.2 80.4 52.3 16.3 41 44 A N E -a 359 0A 0 317,-1.7 319,-2.1 272,-0.2 2,-0.4 -0.874 63.8-156.0-128.3 158.5 78.6 52.1 19.7 42 45 A I E -ab 360 315A 0 272,-1.8 274,-2.6 -2,-0.3 2,-0.5 -0.997 4.0-171.8-137.7 128.4 77.5 49.4 22.1 43 46 A I E -ab 361 316A 0 317,-2.4 319,-2.4 -2,-0.4 2,-0.6 -0.992 8.9-169.0-120.4 111.8 74.7 49.7 24.7 44 47 A L E -ab 362 317A 0 272,-2.8 274,-2.7 -2,-0.5 2,-0.6 -0.957 1.8-165.7-106.9 112.0 74.5 46.6 27.0 45 48 A L E -ab 363 318A 0 317,-3.7 319,-2.4 -2,-0.6 2,-0.5 -0.920 4.6-168.2-102.6 117.4 71.4 46.5 29.2 46 49 A I E -ab 364 319A 0 272,-2.9 274,-1.7 -2,-0.6 2,-0.6 -0.929 8.6-158.3-108.5 120.5 71.6 44.0 32.1 47 50 A G E > -ab 365 320A 0 317,-3.2 3,-1.4 -2,-0.5 319,-0.6 -0.894 30.8-117.4 -96.8 123.4 68.5 43.1 34.1 48 51 A D T 3 S- 0 0 2 272,-2.9 276,-0.1 -2,-0.6 3,-0.1 -0.464 89.7 -17.8 -68.7 110.0 69.6 41.7 37.5 49 52 A G T 3 S+ 0 0 0 -2,-0.5 2,-2.1 318,-0.2 320,-0.5 0.546 92.9 150.1 72.0 13.1 68.4 38.1 37.7 50 53 A M < + 0 0 5 -3,-1.4 -1,-0.2 318,-0.1 -3,-0.2 -0.480 14.8 158.2 -77.6 69.5 66.0 38.7 34.9 51 54 A G > - 0 0 3 -2,-2.1 4,-2.0 -3,-0.1 3,-0.2 -0.179 62.5 -77.8 -81.6-172.3 65.8 35.3 33.3 52 55 A D H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 808,-0.5 0.865 129.9 53.6 -57.0 -37.0 62.9 34.2 31.1 53 56 A S H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 107.9 49.2 -65.3 -44.1 60.6 33.5 34.1 54 57 A E H > S+ 0 0 5 -5,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.893 111.5 50.3 -62.1 -39.6 61.1 37.0 35.5 55 58 A I H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 110.9 48.8 -65.5 -43.3 60.4 38.5 32.1 56 59 A T H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.925 111.8 49.5 -63.1 -41.8 57.1 36.4 31.7 57 60 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.926 111.5 47.3 -64.3 -46.5 56.0 37.4 35.2 58 61 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.893 114.4 47.9 -64.4 -37.0 56.6 41.1 34.6 59 62 A R H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-1.6 0.962 110.7 49.8 -68.7 -51.8 54.8 41.0 31.2 60 63 A N H X5S+ 0 0 5 -4,-2.9 330,-0.6 3,-0.2 4,-0.5 0.933 118.4 41.5 -49.8 -49.3 51.8 39.1 32.6 61 64 A Y H <5S+ 0 0 23 -4,-2.3 329,-1.8 -5,-0.2 -2,-0.2 0.965 127.2 26.9 -66.0 -59.1 51.5 41.6 35.4 62 65 A A H <5S+ 0 0 23 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.798 138.9 16.6 -76.8 -32.5 52.1 44.9 33.6 63 66 A E H <5S- 0 0 57 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.458 105.7-111.6-118.7 -13.0 51.0 44.2 30.0 64 67 A G ><< - 0 0 0 -5,-1.6 3,-1.9 -4,-0.5 -1,-0.2 -0.010 40.1 -72.3 96.5 159.3 48.9 41.1 30.3 65 68 A A T 3 S+ 0 0 0 1,-0.3 -1,-0.2 -5,-0.2 466,-0.1 0.839 137.7 42.5 -58.7 -36.9 49.6 37.6 29.0 66 69 A G T 3 S+ 0 0 13 -3,-0.1 -57,-2.8 -6,-0.1 -1,-0.3 0.200 99.3 113.6 -92.8 17.4 49.0 38.7 25.4 67 70 A G < - 0 0 8 -3,-1.9 2,-0.3 -59,-0.2 -3,-0.1 -0.101 56.0-144.2 -79.6-178.0 51.0 41.9 26.0 68 71 A F - 0 0 6 -5,-0.1 2,-0.7 -9,-0.1 -60,-0.1 -0.978 13.3-130.6-152.3 125.6 54.4 43.0 24.6 69 72 A F > - 0 0 0 -2,-0.3 4,-1.2 1,-0.1 5,-0.4 -0.768 18.1-147.4 -78.7 114.9 57.2 44.9 26.2 70 73 A K T 4 S+ 0 0 88 -2,-0.7 -1,-0.1 3,-0.2 -66,-0.0 0.672 93.6 25.0 -53.8 -26.3 58.0 47.7 23.7 71 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.8 3,-0.0 4,-0.4 0.708 126.1 39.0-101.5 -77.3 61.7 47.5 24.8 72 75 A I T 34 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.796 125.0 38.5 -44.8 -40.6 62.6 44.1 26.2 73 76 A D T 3< S+ 0 0 0 -4,-1.2 803,-0.5 1,-0.2 -1,-0.3 0.552 99.1 77.1 -92.9 -10.4 60.5 42.1 23.7 74 77 A A < + 0 0 2 -3,-1.8 -70,-2.3 -5,-0.4 -1,-0.2 0.426 64.3 107.6 -79.6 -2.9 61.2 44.3 20.7 75 78 A L - 0 0 0 -3,-0.5 801,-0.2 -4,-0.4 344,-0.1 -0.672 56.1-157.4 -79.8 125.4 64.7 42.9 20.0 76 79 A P S S+ 0 0 6 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.753 70.7 62.4 -73.3 -35.6 64.7 40.6 16.9 77 80 A L E +C 418 0A 1 341,-1.6 341,-3.2 797,-0.1 2,-0.3 -0.909 69.1 167.4 -98.9 124.6 67.7 38.3 17.3 78 81 A T E +C 417 0A 0 -2,-0.6 350,-0.7 447,-0.5 447,-0.5 -0.963 8.9 148.0-138.7 156.3 67.5 36.1 20.4 79 82 A G E -Cd 416 428A 0 337,-2.6 337,-2.3 -2,-0.3 2,-0.4 -0.880 40.2 -94.8-165.5-173.1 69.1 33.1 21.9 80 83 A Q E -Cd 415 429A 1 348,-1.5 350,-1.8 -2,-0.3 2,-0.3 -0.985 31.2-162.8-123.9 133.4 70.1 31.4 25.2 81 84 A Y E -Cd 414 430A 0 333,-2.4 333,-1.7 -2,-0.4 2,-0.3 -0.897 14.3-131.6-120.2 145.9 73.4 31.7 27.0 82 85 A T E - d 0 431A 7 348,-2.0 350,-2.6 -2,-0.3 351,-0.2 -0.692 18.1-178.8 -85.6 149.0 75.1 29.6 29.7 83 86 A H + 0 0 4 -2,-0.3 14,-0.3 328,-0.3 22,-0.1 -0.072 19.0 154.3-143.0 38.5 76.7 31.4 32.7 84 87 A Y - 0 0 11 428,-0.1 11,-0.2 12,-0.1 2,-0.1 -0.291 30.1-144.0 -69.4 153.5 78.3 28.7 34.9 85 88 A A E -J 94 0B 2 9,-2.7 9,-3.0 26,-0.1 2,-0.4 -0.330 15.3-108.1-105.1-172.5 81.2 29.8 37.2 86 89 A L E -Jk 93 113B 1 26,-2.4 2,-0.5 7,-0.3 28,-0.5 -0.945 21.4-116.8-122.5 149.0 84.3 27.8 38.2 87 90 A N > - 0 0 60 5,-3.0 4,-2.3 -2,-0.4 5,-0.1 -0.746 25.1-140.4 -81.9 125.8 85.3 26.4 41.5 88 91 A K T 4 S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.2 25,-0.1 0.831 96.2 39.7 -55.4 -37.9 88.5 28.3 42.6 89 92 A K T 4 S+ 0 0 190 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.0 0.956 128.2 24.9 -78.6 -58.4 90.2 25.2 44.0 90 93 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.762 88.6-136.0 -80.5 -31.1 89.4 22.4 41.4 91 94 A G < + 0 0 14 -4,-2.3 -3,-0.1 1,-0.3 3,-0.1 0.514 61.1 131.1 82.3 3.6 88.8 24.5 38.4 92 95 A K - 0 0 85 1,-0.1 -5,-3.0 -5,-0.1 -1,-0.3 -0.360 69.1 -76.2 -82.5 168.2 85.7 22.5 37.6 93 96 A P E -J 86 0B 10 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.381 30.6-152.7 -67.0 147.8 82.4 24.2 36.8 94 97 A D E -J 85 0B 42 -9,-3.0 -9,-2.7 1,-0.1 748,-0.1 -0.943 14.3-152.0-121.1 96.8 80.2 25.6 39.5 95 98 A Y S S+ 0 0 9 -2,-0.6 2,-0.6 746,-0.3 -12,-0.2 0.611 79.4 53.6 -47.3 -22.2 76.8 25.4 38.0 96 99 A V S S- 0 0 11 725,-0.1 -1,-0.2 -12,-0.1 315,-0.1 -0.914 74.1-168.6-125.5 108.3 75.3 28.3 39.9 97 100 A T - 0 0 3 -2,-0.6 2,-0.2 -14,-0.3 312,-0.1 -0.374 12.8-133.9 -83.8 167.2 77.2 31.6 39.6 98 101 A D > - 0 0 22 -2,-0.1 4,-1.6 269,-0.0 5,-0.2 -0.467 38.2 -91.2-107.6-172.3 76.8 34.8 41.6 99 102 A S H > S+ 0 0 6 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.888 121.5 55.9 -69.4 -35.5 76.6 38.4 40.2 100 103 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 18,-0.3 0.948 108.5 42.1 -63.8 -55.0 80.4 38.8 40.5 101 104 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 116.9 48.1 -62.5 -44.5 81.6 35.9 38.5 102 105 A S H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 5,-0.3 0.925 109.8 51.8 -60.1 -45.1 79.1 36.4 35.7 103 106 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.929 111.2 49.8 -60.2 -38.3 79.8 40.1 35.4 104 107 A T H X>S+ 0 0 0 -4,-2.1 4,-2.1 12,-0.3 5,-0.6 0.955 104.2 59.3 -66.6 -42.3 83.4 39.1 35.1 105 108 A A H X5S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.3 331,-0.3 0.863 114.1 33.3 -55.0 -46.4 82.7 36.6 32.4 106 109 A W H <5S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.739 117.8 54.4 -85.1 -25.7 81.2 39.0 30.0 107 110 A S H <5S+ 0 0 0 -4,-1.9 22,-2.2 -5,-0.3 -2,-0.2 0.712 129.0 12.8 -81.4 -14.6 83.3 42.0 31.0 108 111 A T H <5S- 0 0 8 -4,-2.1 -3,-0.2 20,-0.2 -2,-0.2 0.530 94.6-118.8-132.7 -18.4 86.7 40.2 30.4 109 112 A G S < -k 86 0B 22 -2,-0.2 3,-1.7 -28,-0.2 2,-0.2 -0.563 60.4 -83.8 -87.4 158.8 85.2 31.8 40.9 114 117 A N T 3 S+ 0 0 53 -28,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.430 115.0 25.2 -63.9 130.8 82.2 33.2 42.6 115 118 A G T 3 S+ 0 0 12 1,-0.4 48,-1.8 -2,-0.2 -1,-0.2 0.125 91.3 125.7 101.7 -17.0 82.8 36.4 44.3 116 119 A A < - 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0 0 18 -5,-2.3 -1,-0.3 -6,-0.2 176,-0.3 -0.397 57.8-110.9 -75.8 159.8 86.0 55.5 22.8 139 142 A A E -e 314 0A 4 174,-2.4 176,-1.8 168,-0.2 2,-0.4 -0.543 35.9-152.7 -82.4 155.6 83.8 57.2 25.4 140 143 A T E -e 315 0A 0 174,-0.2 59,-2.2 -2,-0.2 58,-0.9 -0.995 13.9-172.0-140.2 140.2 82.5 54.9 28.2 141 144 A G E -ef 316 199A 0 174,-2.6 176,-2.3 -2,-0.4 2,-0.4 -0.991 7.7-171.9-134.5 139.7 79.5 54.9 30.5 142 145 A N E +ef 317 200A 1 57,-2.9 59,-1.8 -2,-0.4 2,-0.4 -0.944 19.6 172.9-131.1 101.1 78.7 52.7 33.6 143 146 A V E +ef 318 201A 0 174,-2.8 176,-1.8 -2,-0.4 2,-0.3 -0.936 4.7 153.4-117.9 136.6 75.0 53.3 34.7 144 147 A S E -e 319 0A 0 57,-2.6 176,-0.2 -2,-0.4 4,-0.1 -0.992 45.1-140.2-160.0 152.4 73.2 51.4 37.4 145 148 A T E S+ 0 0 8 174,-1.8 116,-3.2 -2,-0.3 57,-0.1 0.464 88.7 72.6 -91.4 -6.7 70.4 51.7 39.9 146 149 A A E S- 0 0 3 173,-0.3 57,-2.8 114,-0.2 2,-0.4 -0.045 106.4 -63.3 -90.1-162.9 72.4 49.7 42.5 147 150 A E E > - f 0 203A 35 55,-0.2 3,-2.5 1,-0.1 57,-0.3 -0.715 44.1-127.2 -85.5 134.5 75.5 50.8 44.5 148 151 A L T 3 S+ 0 0 0 55,-2.2 56,-0.1 -2,-0.4 -1,-0.1 0.744 108.9 59.2 -54.5 -20.2 78.3 51.5 42.1 149 152 A Q T 3 S+ 0 0 0 4,-0.1 -1,-0.3 5,-0.1 39,-0.1 0.512 82.5 108.4 -88.8 -5.5 80.5 49.1 44.2 150 153 A D S <> S- 0 0 28 -3,-2.5 4,-2.6 4,-0.1 5,-0.3 -0.371 87.6 -95.9 -72.1 155.4 78.2 46.2 43.6 151 154 A A H > S+ 0 0 1 1,-0.2 4,-2.6 3,-0.2 -1,-0.0 0.785 114.4 49.5 -37.1 -61.4 79.3 43.3 41.3 152 155 A T H 4 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.918 121.8 28.5 -51.8 -65.9 77.7 44.4 38.0 153 156 A P H >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.899 120.9 57.1 -67.1 -31.2 78.8 48.0 37.7 154 157 A A H >X S+ 0 0 0 -4,-2.6 4,-1.9 -7,-0.2 3,-1.5 0.852 91.8 69.8 -65.3 -36.5 82.0 47.3 39.7 155 158 A A T 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.657 92.3 58.4 -57.4 -22.3 83.2 44.6 37.3 156 159 A L T <4 S+ 0 0 0 -3,-1.0 -25,-0.4 -4,-0.4 -1,-0.3 0.682 122.5 20.3 -80.2 -25.2 84.0 47.0 34.5 157 160 A V T <4 S+ 0 0 4 -3,-1.5 2,-0.3 -4,-0.4 38,-0.2 0.444 111.7 71.8-125.7 -2.0 86.4 49.1 36.6 158 161 A A < - 0 0 0 -4,-1.9 2,-0.4 2,-0.1 30,-0.1 -0.847 45.7-167.3-123.3 153.9 87.6 46.9 39.5 159 162 A H + 0 0 13 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.862 33.8 143.3-137.9 94.4 89.9 43.9 40.0 160 163 A V B -L 117 0C 0 -43,-2.3 -43,-2.4 -2,-0.4 -41,-0.2 -0.968 56.1-126.4-137.4 153.2 89.6 42.4 43.4 161 164 A T S S+ 0 0 31 -2,-0.3 2,-0.3 -45,-0.2 14,-0.1 0.677 98.8 31.5 -72.1 -14.1 89.6 39.0 44.9 162 165 A S > - 0 0 27 -45,-0.1 3,-1.9 -46,-0.1 -46,-0.2 -0.987 68.3-138.7-148.5 135.8 86.3 39.6 46.6 163 166 A R T 3 S+ 0 0 58 -48,-1.8 -47,-0.1 -2,-0.3 -1,-0.1 0.650 98.7 72.5 -65.2 -16.2 83.2 41.6 45.7 164 167 A K T 3 + 0 0 124 1,-0.2 2,-2.6 -49,-0.1 3,-0.3 0.592 66.0 98.5 -76.4 -10.3 83.0 42.7 49.3 165 168 A a < + 0 0 0 -3,-1.9 23,-2.6 1,-0.2 24,-0.2 -0.306 43.0 149.3 -77.8 63.6 86.0 45.0 49.1 166 169 A Y - 0 0 49 -2,-2.6 23,-2.7 21,-0.2 24,-0.2 0.915 63.9 -5.7 -59.1 -59.1 83.9 48.1 48.6 167 170 A G S > S- 0 0 0 -3,-0.3 4,-2.5 21,-0.2 3,-0.4 -0.704 93.7 -70.2-127.5-174.2 86.1 50.7 50.2 168 171 A P H > S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.888 123.8 55.1 -45.7 -50.2 89.3 50.9 52.2 169 172 A S H > S+ 0 0 68 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.882 113.1 38.3 -54.1 -52.8 87.9 49.3 55.3 170 173 A A H > S+ 0 0 21 -3,-0.4 4,-3.5 1,-0.2 5,-0.4 0.882 112.1 59.2 -71.2 -36.0 86.6 46.2 53.8 171 174 A T H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 8,-0.3 0.886 100.4 53.6 -60.3 -40.5 89.5 45.8 51.5 172 175 A S H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 119.5 36.0 -64.8 -32.2 92.1 45.6 54.2 173 176 A E H < S+ 0 0 150 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.2 0.905 132.4 25.5 -84.3 -50.5 90.2 42.8 55.8 174 177 A K H < S+ 0 0 92 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.730 133.3 28.3 -89.5 -25.9 88.9 41.0 52.8 175 178 A a >X + 0 0 0 -4,-3.2 3,-2.0 -5,-0.4 4,-1.5 -0.452 60.5 159.9-136.8 62.1 91.4 41.9 50.0 176 179 A P G >4 S+ 0 0 54 0, 0.0 3,-0.6 0, 0.0 8,-0.3 0.901 79.6 56.6 -52.0 -43.7 94.8 42.6 51.7 177 180 A G G 34 S+ 0 0 61 1,-0.2 8,-0.3 -3,-0.1 -5,-0.1 0.718 112.9 39.7 -61.6 -19.6 96.5 41.9 48.4 178 181 A N G <4 S+ 0 0 13 -3,-2.0 8,-3.0 -7,-0.3 -1,-0.2 0.590 88.3 120.8-103.6 -9.6 94.4 44.7 46.8 179 182 A A X<> - 0 0 1 -4,-1.5 5,-2.9 -3,-0.6 3,-1.0 -0.331 61.7-142.3 -61.6 125.8 94.6 47.0 49.8 180 183 A L G > 5S+ 0 0 46 1,-0.3 3,-2.2 3,-0.2 -1,-0.1 0.897 101.7 55.5 -52.1 -54.1 96.2 50.3 48.8 181 184 A E G 3 5S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.657 107.5 53.0 -53.1 -24.2 98.2 50.5 52.1 182 185 A K G < 5S- 0 0 112 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.2 0.150 129.1 -96.3-101.5 22.0 99.6 47.1 51.3 183 186 A G T < 5S+ 0 0 75 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.567 83.9 135.1 76.7 8.5 100.8 48.2 47.8 184 187 A G S - 0 0 0 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.123 64.0 -90.8 -75.9 179.4 89.3 48.9 46.8 188 191 A I H > S+ 0 0 0 -23,-2.6 4,-2.4 1,-0.2 -21,-0.2 0.962 128.0 45.6 -58.6 -50.4 86.4 48.8 44.4 189 192 A T H > S+ 0 0 0 -23,-2.7 4,-2.3 -24,-0.2 -1,-0.2 0.903 112.9 49.6 -62.2 -42.3 85.6 52.5 44.8 190 193 A E H > S+ 0 0 9 -24,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 112.3 47.7 -61.8 -45.4 89.3 53.6 44.6 191 194 A Q H X S+ 0 0 12 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.873 108.2 56.2 -64.1 -32.9 89.8 51.6 41.4 192 195 A L H X S+ 0 0 3 -4,-2.4 4,-1.3 -5,-0.2 5,-0.3 0.937 106.9 49.2 -65.3 -44.1 86.6 53.1 40.0 193 196 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.6 47.5 -61.2 -37.4 88.0 56.6 40.6 194 197 A N H < S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 103.9 59.8 -70.9 -41.5 91.2 55.5 38.8 195 198 A A H < S- 0 0 17 -4,-3.1 -1,-0.2 -38,-0.2 -2,-0.2 0.794 86.7-162.5 -59.7 -29.5 89.4 53.9 35.9 196 199 A R < - 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0 0 0 0, 0.0 -19,-2.9 0, 0.0 2,-0.4 -0.409 22.7-124.0 -68.1 145.6 84.4 62.9 33.9 252 255 A L E -gh 199 232A 0 -54,-3.4 -52,-1.5 -21,-0.2 2,-0.4 -0.768 25.0-176.5 -96.3 136.6 80.8 62.7 35.4 253 256 A L E -gh 200 233A 0 -21,-2.7 -19,-1.9 -2,-0.4 2,-0.7 -0.873 3.7-170.3-135.8 102.7 80.0 61.0 38.6 254 257 A G E +gh 201 234A 0 -54,-2.9 -52,-2.9 -2,-0.4 2,-0.7 -0.850 5.9 178.9 -98.0 112.0 76.3 60.8 39.7 255 258 A L E +g 202 0A 5 -21,-2.4 -52,-0.2 -2,-0.7 -51,-0.1 -0.876 9.2 165.2-111.2 95.7 75.7 59.5 43.2 256 259 A F + 0 0 19 -54,-2.6 2,-0.3 -2,-0.7 -53,-0.2 0.306 60.2 23.5 -97.4 9.8 71.9 59.6 43.8 257 260 A A - 0 0 19 -55,-0.3 -52,-2.6 1,-0.1 -53,-0.6 -0.981 69.5-119.8-167.7 152.7 71.7 57.4 46.9 258 261 A D S S- 0 0 112 -2,-0.3 -52,-1.7 -53,-0.2 -51,-0.3 0.877 104.8 -12.2 -65.6 -35.2 73.6 56.2 49.9 259 262 A G S S- 0 0 20 1,-0.4 -55,-0.9 -55,-0.2 -54,-0.3 -0.142 125.3 -4.5-130.5-128.8 73.1 52.6 48.7 260 263 A N S S- 0 0 43 -57,-0.2 -1,-0.4 1,-0.1 -114,-0.2 -0.372 78.5-103.0 -72.4 148.1 70.7 51.4 46.0 261 264 A M - 0 0 10 -116,-3.2 -1,-0.1 1,-0.1 -4,-0.1 -0.265 53.8 -76.6 -66.7 154.4 68.4 53.8 44.3 262 265 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 60,-0.1 -0.292 48.9-111.3 -57.6 139.4 64.6 53.7 45.4 263 266 A V - 0 0 22 1,-0.1 23,-0.2 -3,-0.1 3,-0.1 -0.340 15.9-134.7 -67.3 149.0 62.4 50.9 44.1 264 267 A R S S+ 0 0 33 70,-0.2 22,-2.6 1,-0.2 2,-0.4 0.889 84.4 32.6 -75.0 -43.2 59.6 51.7 41.6 265 268 A W E -P 285 0G 36 20,-0.3 2,-0.3 68,-0.2 -1,-0.2 -0.959 66.9-148.6-123.8 142.6 56.8 49.7 43.3 266 269 A L E +P 284 0G 71 18,-3.8 18,-1.9 -2,-0.4 -2,-0.0 -0.722 31.6 141.6-102.6 149.6 56.0 48.9 46.8 267 270 A G - 0 0 23 -2,-0.3 67,-0.1 16,-0.2 16,-0.1 -0.949 49.1 -80.6-174.6 161.4 54.3 45.7 47.8 268 271 A P - 0 0 72 0, 0.0 65,-0.4 0, 0.0 3,-0.1 -0.298 49.0 -97.7 -72.4 157.8 54.4 43.1 50.6 269 272 A K - 0 0 95 62,-0.2 62,-0.2 1,-0.1 2,-0.2 -0.339 43.3-100.8 -69.2 153.1 56.9 40.2 50.8 270 273 A A - 0 0 3 60,-3.4 2,-0.3 59,-0.3 115,-0.2 -0.552 49.0-169.7 -74.9 149.4 55.9 36.7 49.6 271 274 A T E > -Q 384 0H 51 113,-2.2 113,-2.8 -2,-0.2 3,-1.9 -0.857 32.0 -69.2-140.1 169.3 54.9 34.4 52.4 272 275 A Y E 3 S-Q 383 0H 110 1,-0.3 111,-0.2 -2,-0.3 5,-0.1 -0.411 120.0 -9.8 -61.0 124.6 54.0 30.8 53.3 273 276 A H T >> S+ 0 0 19 109,-0.6 4,-2.9 107,-0.4 3,-2.3 0.697 90.0 149.9 57.8 22.5 50.7 30.0 51.7 274 277 A G H <> + 0 0 2 -3,-1.9 4,-0.8 1,-0.3 112,-0.3 0.749 65.1 58.6 -58.0 -27.1 50.3 33.6 50.8 275 278 A N H 34 S+ 0 0 19 -4,-0.3 -1,-0.3 110,-0.2 110,-0.1 0.677 117.8 34.0 -76.0 -13.5 48.3 32.9 47.7 276 279 A I H <4 S+ 0 0 82 -3,-2.3 -2,-0.2 3,-0.1 -1,-0.1 0.807 126.0 34.8-104.0 -46.9 45.8 31.1 50.0 277 280 A D H < S+ 0 0 103 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.906 115.0 52.5 -78.1 -45.5 45.8 33.0 53.2 278 281 A K S < S- 0 0 115 -4,-0.8 2,-0.1 -5,-0.4 3,-0.1 -0.522 86.1-108.3 -96.5 160.8 46.3 36.5 51.9 279 282 A P - 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0 0 1 -4,-1.4 5,-3.0 -8,-0.4 3,-1.3 -0.300 61.4-142.5 -57.5 121.9 30.3 9.6 24.3 627 183 B L G > 5S+ 0 0 46 1,-0.3 3,-2.0 3,-0.2 -1,-0.1 0.891 102.6 55.2 -48.0 -55.2 29.8 7.4 21.3 628 184 B E G 3 5S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.678 108.0 51.6 -52.2 -27.2 26.7 5.8 22.9 629 185 B K G < 5S- 0 0 107 -3,-1.3 -1,-0.3 -6,-0.2 -2,-0.2 0.034 129.6 -95.1-101.6 23.2 25.3 9.4 23.3 630 186 B G T < 5S+ 0 0 77 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.627 83.6 137.5 74.8 12.4 25.9 10.3 19.7 631 187 B G S - 0 0 0 -2,-0.1 4,-2.6 -3,-0.1 5,-0.3 -0.014 64.7 -90.5 -64.8 177.8 36.6 8.7 23.3 635 191 B I H > S+ 0 0 0 -23,-2.7 4,-2.4 1,-0.2 -21,-0.2 0.964 127.9 46.5 -58.2 -53.3 40.2 9.7 22.7 636 192 B T H > S+ 0 0 0 -23,-2.7 4,-2.6 2,-0.2 5,-0.2 0.936 112.3 49.1 -57.0 -48.5 41.1 6.2 21.5 637 193 B E H > S+ 0 0 7 -24,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.926 112.5 47.5 -58.3 -45.1 38.1 5.8 19.2 638 194 B Q H X S+ 0 0 11 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.862 108.1 56.3 -65.2 -35.3 38.7 9.1 17.6 639 195 B L H X S+ 0 0 2 -4,-2.4 4,-1.6 -5,-0.3 5,-0.3 0.964 107.4 48.8 -60.0 -46.7 42.3 8.2 17.2 640 196 B L H < S+ 0 0 0 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.906 113.5 48.5 -59.6 -38.6 41.2 5.0 15.3 641 197 B N H < S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.885 103.4 58.8 -70.3 -40.2 38.9 7.2 13.2 642 198 B A H < S- 0 0 16 -4,-3.0 -1,-0.2 -38,-0.2 -2,-0.2 0.835 86.9-160.7 -60.2 -36.4 41.6 9.8 12.4 643 199 B R < - 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