==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-08 3DYC . COMPND 2 MOLECULE: ALKALINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.ZALATAN,T.D.FENN,D.HERSCHLAG . 892 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 10.9 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 . 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 . 50 5.6 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 . 203 22.8 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 3 1 8 2 0 2 3 3 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 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 70 0, 0.0 2,-0.2 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 123.5 34.1 -20.6 -20.1 2 5 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 418,-0.1 -0.459 360.0-143.5 -77.9 143.0 36.4 -21.1 -23.2 3 6 A V - 0 0 12 -2,-0.2 2,-0.4 72,-0.1 72,-0.2 -0.839 46.2 -90.6 -92.9 143.8 39.8 -22.7 -23.2 4 7 A L - 0 0 20 70,-2.2 3,-0.2 -2,-0.4 69,-0.0 -0.406 42.9-161.3 -55.1 109.6 42.2 -21.1 -25.7 5 8 A E - 0 0 148 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.919 66.5 -8.8 -65.8 -45.9 41.4 -23.2 -28.8 6 9 A N + 0 0 85 15,-0.1 -1,-0.3 -3,-0.1 64,-0.0 -0.853 49.6 167.3-161.6 116.5 44.6 -22.4 -30.7 7 10 A R + 0 0 12 -2,-0.3 3,-0.1 -3,-0.2 15,-0.1 -0.062 43.7 124.8-121.1 30.1 47.4 -19.9 -30.2 8 11 A A S S- 0 0 19 1,-0.2 59,-0.2 60,-0.1 2,-0.1 -0.354 82.8 -73.0 -71.6 165.3 49.7 -21.3 -32.7 9 12 A A - 0 0 23 57,-3.0 12,-0.2 1,-0.1 10,-0.2 -0.468 47.1-137.2 -58.6 134.6 51.1 -18.9 -35.4 10 13 A Q - 0 0 87 10,-2.2 9,-0.2 7,-0.3 2,-0.1 0.609 63.5 -38.5 -79.9 -13.4 48.1 -18.4 -37.7 11 14 A G S S+ 0 0 48 7,-2.0 2,-0.9 9,-0.2 7,-0.1 -0.530 106.9 17.3-166.9-125.2 49.9 -18.6 -41.0 12 15 A D > - 0 0 93 1,-0.2 3,-1.8 -2,-0.1 6,-0.3 -0.671 51.0-156.0 -82.7 107.8 53.0 -17.7 -42.9 13 16 A I T 3 S+ 0 0 28 -2,-0.9 545,-0.5 1,-0.3 6,-0.2 0.681 92.2 53.4 -54.5 -21.4 55.7 -16.9 -40.3 14 17 A T T 3 S+ 0 0 25 4,-0.1 554,-0.4 543,-0.1 -1,-0.3 0.595 98.8 73.5 -93.6 -14.7 57.6 -14.8 -42.9 15 18 A A S X S- 0 0 34 -3,-1.8 3,-2.6 1,-0.1 4,-0.4 -0.699 98.2 -83.0-101.7 155.1 54.7 -12.5 -43.9 16 19 A P T 3 S+ 0 0 61 0, 0.0 541,-0.2 0, 0.0 -4,-0.1 -0.288 118.4 8.8 -53.5 130.2 53.0 -9.7 -42.0 17 20 A G T > S+ 0 0 16 539,-2.6 3,-0.9 -4,-0.1 -7,-0.3 0.320 98.1 112.7 81.9 -8.5 50.5 -11.1 -39.6 18 21 A G T < S+ 0 0 7 -3,-2.6 -7,-2.0 -6,-0.3 -5,-0.2 0.740 76.4 46.2 -72.1 -24.0 51.7 -14.6 -40.3 19 22 A A T 3 S+ 0 0 2 -4,-0.4 -1,-0.2 537,-0.3 862,-0.2 0.369 82.6 128.1-100.3 4.0 53.2 -15.1 -36.8 20 23 A R < - 0 0 67 -3,-0.9 -10,-2.2 536,-0.2 -9,-0.2 -0.329 41.2-167.5 -56.7 136.7 50.1 -13.8 -35.0 21 24 A R S S+ 0 0 2 -12,-0.2 2,-0.3 857,-0.2 -1,-0.1 0.564 70.8 71.0 -99.6 -14.2 48.8 -16.1 -32.3 22 25 A L - 0 0 9 1,-0.1 -12,-0.1 -15,-0.1 3,-0.1 -0.810 56.6-167.4-104.8 145.5 45.6 -14.0 -31.9 23 26 A T S S- 0 0 106 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.447 70.8 -31.1-107.3 -3.6 42.8 -13.8 -34.5 24 27 A G S S- 0 0 33 848,-0.0 -1,-0.3 0, 0.0 861,-0.0 -0.980 94.3 -23.9 172.3-175.4 41.0 -10.8 -32.9 25 28 A D - 0 0 71 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.224 41.0-162.5 -58.1 139.9 40.1 -8.9 -29.8 26 29 A Q > + 0 0 29 843,-0.1 4,-3.3 1,-0.1 5,-0.3 0.598 64.3 95.8-100.9 -14.7 40.2 -10.9 -26.5 27 30 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.892 89.2 43.5 -45.0 -55.9 38.2 -8.6 -24.2 28 31 A A H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 116.8 46.6 -58.6 -45.1 34.9 -10.4 -24.7 29 32 A A H 4 S+ 0 0 35 -4,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.876 113.5 48.6 -66.2 -37.7 36.5 -13.9 -24.5 30 33 A L H >X S+ 0 0 10 -4,-3.3 3,-1.8 1,-0.2 4,-0.6 0.925 107.9 54.6 -69.1 -43.2 38.4 -12.9 -21.4 31 34 A R H >< S+ 0 0 93 -4,-3.0 3,-0.7 -5,-0.3 -1,-0.2 0.840 107.0 52.2 -55.0 -35.7 35.2 -11.5 -19.8 32 35 A D T 3< S+ 0 0 111 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.532 102.3 60.7 -79.8 -6.3 33.6 -14.8 -20.4 33 36 A S T <4 S+ 0 0 4 -3,-1.8 2,-0.8 -4,-0.2 387,-0.3 0.575 86.1 89.5 -94.6 -10.2 36.6 -16.5 -18.6 34 37 A L << + 0 0 10 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.1 -0.787 46.4 151.7 -96.6 107.9 35.9 -14.7 -15.3 35 38 A S - 0 0 22 -2,-0.8 387,-2.5 385,-0.4 389,-0.3 -0.999 28.1-167.9-131.7 134.6 33.5 -16.5 -12.9 36 39 A D + 0 0 89 -2,-0.4 3,-0.1 385,-0.2 -2,-0.0 0.012 50.6 123.1-109.2 28.0 33.6 -16.1 -9.2 37 40 A K S S- 0 0 62 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.379 73.6 -72.5 -82.2 165.8 31.3 -19.0 -8.6 38 41 A P - 0 0 100 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.272 38.6-132.6 -61.8 140.0 32.2 -22.0 -6.4 39 42 A A - 0 0 7 403,-2.6 320,-0.2 1,-0.2 3,-0.1 -0.847 15.3-170.2 -87.5 122.5 34.7 -24.6 -7.7 40 43 A K S S+ 0 0 73 318,-2.3 274,-0.6 -2,-0.6 2,-0.3 0.894 75.2 16.3 -74.8 -43.1 33.4 -28.1 -7.1 41 44 A N E -ab 314 359A 4 317,-1.3 319,-2.4 272,-0.2 2,-0.4 -0.831 64.6-154.5-125.5 164.0 36.8 -29.5 -8.0 42 45 A I E -ab 315 360A 0 272,-1.9 274,-2.2 -2,-0.3 2,-0.5 -0.983 2.7-169.0-139.5 130.9 40.4 -28.4 -8.4 43 46 A I E -ab 316 361A 0 317,-3.0 319,-2.7 -2,-0.4 2,-0.6 -0.975 8.7-170.0-116.5 114.7 43.1 -29.9 -10.5 44 47 A L E -ab 317 362A 0 272,-2.7 274,-3.4 -2,-0.5 2,-0.5 -0.921 1.9-167.8-105.4 116.4 46.5 -28.6 -9.7 45 48 A L E -ab 318 363A 0 317,-3.6 319,-1.8 -2,-0.6 2,-0.5 -0.910 4.3-166.1-105.6 129.2 49.2 -29.6 -12.2 46 49 A I E -ab 319 364A 0 272,-3.2 274,-3.2 -2,-0.5 2,-0.7 -0.958 11.5-161.8-118.9 124.2 52.8 -28.9 -11.2 47 50 A G E > -ab 320 365A 0 317,-2.9 3,-2.0 -2,-0.5 319,-0.5 -0.904 27.3-130.7 -99.8 111.4 55.8 -29.0 -13.5 48 51 A D T 3 S- 0 0 0 272,-2.5 276,-0.8 -2,-0.7 277,-0.1 -0.468 89.4 -5.3 -67.7 118.7 58.9 -29.3 -11.4 49 52 A G T 3 S+ 0 0 0 -2,-0.4 2,-2.4 318,-0.2 -1,-0.3 0.541 91.4 148.4 74.9 7.2 61.4 -26.7 -12.5 50 53 A M < + 0 0 5 -3,-2.0 -1,-0.2 314,-0.1 -3,-0.2 -0.392 17.8 159.3 -77.4 67.8 59.1 -25.8 -15.3 51 54 A G > - 0 0 0 -2,-2.4 4,-2.0 316,-0.1 3,-0.4 -0.218 60.7 -86.7 -74.2 176.3 59.9 -22.1 -15.6 52 55 A D H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 808,-0.5 0.843 128.2 56.9 -58.6 -35.5 59.2 -20.1 -18.8 53 56 A S H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 107.2 48.3 -59.5 -45.9 62.5 -21.1 -20.3 54 57 A E H > S+ 0 0 2 -3,-0.4 4,-2.3 -5,-0.2 -2,-0.2 0.888 112.0 49.2 -63.0 -42.2 61.6 -24.8 -20.0 55 58 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.925 112.1 47.5 -62.1 -46.4 58.2 -24.3 -21.5 56 59 A T H X S+ 0 0 4 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.895 112.0 50.0 -65.3 -40.0 59.6 -22.3 -24.5 57 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.920 112.1 46.9 -65.9 -45.1 62.3 -24.9 -25.1 58 61 A A H X>S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.5 0.931 115.0 47.3 -59.6 -47.5 59.8 -27.8 -25.0 59 62 A R H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-1.5 0.969 110.8 51.4 -58.5 -54.3 57.5 -25.9 -27.3 60 63 A N H <5S+ 0 0 3 -4,-3.3 330,-0.7 3,-0.2 331,-0.4 0.891 117.9 38.6 -49.2 -45.3 60.3 -24.9 -29.7 61 64 A Y H <5S+ 0 0 21 -4,-2.3 329,-1.0 328,-0.2 -1,-0.2 0.921 127.2 27.9 -75.6 -46.5 61.4 -28.5 -30.0 62 65 A A H <5S+ 0 0 26 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.798 138.0 19.1 -91.8 -31.7 58.2 -30.5 -30.1 63 66 A E T < < - 0 0 0 -5,-1.5 3,-3.1 -4,-0.3 -3,-0.2 0.182 41.0 -73.5 83.2 149.1 58.0 -25.6 -33.3 65 68 A A T 3 S+ 0 0 0 -5,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.847 137.4 39.2 -41.8 -48.7 58.5 -21.9 -32.2 66 69 A G T 3 S+ 0 0 14 -6,-0.1 -57,-3.0 -3,-0.1 -1,-0.3 0.296 99.4 108.6 -91.5 9.5 55.1 -20.9 -33.5 67 70 A G < - 0 0 12 -3,-3.1 2,-0.3 -59,-0.2 -3,-0.1 0.026 59.8-134.6 -71.2-170.0 53.5 -24.1 -32.3 68 71 A F - 0 0 9 -5,-0.1 2,-0.7 -9,-0.1 -60,-0.1 -0.956 9.0-129.6-159.5 121.9 51.2 -24.4 -29.3 69 72 A F > - 0 0 1 -2,-0.3 4,-0.9 1,-0.2 5,-0.3 -0.695 17.1-150.6 -75.5 115.9 50.8 -26.8 -26.4 70 73 A K T 4 S+ 0 0 112 -2,-0.7 -1,-0.2 3,-0.1 274,-0.0 0.742 94.2 25.7 -60.2 -25.0 47.1 -28.0 -26.4 71 74 A G T >4 S+ 0 0 0 2,-0.1 3,-1.7 3,-0.0 4,-0.3 0.815 126.9 37.3 -96.9 -74.5 47.4 -28.3 -22.6 72 75 A I G >4 S+ 0 0 0 1,-0.3 3,-0.6 2,-0.1 -2,-0.1 0.834 124.1 39.4 -49.6 -46.1 50.0 -26.1 -21.1 73 76 A D G 3< S+ 0 0 0 -4,-0.9 803,-0.5 1,-0.2 -1,-0.3 0.478 99.0 78.9 -85.4 -2.6 49.4 -23.1 -23.4 74 77 A A G < + 0 0 2 -3,-1.7 -70,-2.2 -5,-0.3 -1,-0.2 0.424 61.2 105.0 -95.4 0.3 45.6 -23.3 -23.5 75 78 A L < - 0 0 0 -3,-0.6 801,-0.2 -4,-0.3 344,-0.2 -0.727 57.7-153.4 -84.5 125.5 44.7 -21.7 -20.2 76 79 A P S S+ 0 0 3 0, 0.0 2,-0.6 0, 0.0 343,-0.1 0.838 74.4 69.4 -69.7 -38.8 43.3 -18.2 -20.6 77 80 A L E +C 418 0A 1 341,-1.7 341,-2.6 797,-0.1 2,-0.3 -0.751 66.2 169.8 -91.7 118.4 44.2 -16.6 -17.3 78 81 A T E +C 417 0A 0 -2,-0.6 350,-0.8 447,-0.5 447,-0.5 -0.913 7.7 147.3-130.3 150.9 48.0 -16.1 -16.8 79 82 A G E -Cd 416 428A 0 337,-2.1 337,-2.7 -2,-0.3 2,-0.4 -0.951 39.8-103.8-160.9-179.0 50.3 -14.4 -14.4 80 83 A Q E -Cd 415 429A 0 348,-1.1 350,-1.7 -2,-0.3 2,-0.3 -0.961 33.1-169.3-116.6 137.0 53.8 -14.5 -12.8 81 84 A Y E -Cd 414 430A 0 333,-2.4 333,-1.7 -2,-0.4 2,-0.3 -0.912 17.6-125.2-128.9 156.7 54.3 -15.6 -9.2 82 85 A T E - d 0 431A 5 348,-2.2 350,-2.5 -2,-0.3 351,-0.3 -0.773 17.3-177.8-102.6 142.9 57.2 -15.5 -6.7 83 86 A H + 0 0 2 -2,-0.3 14,-0.2 328,-0.3 -1,-0.1 0.022 22.1 153.3-130.6 24.7 58.5 -18.6 -4.9 84 87 A Y - 0 0 8 428,-0.1 11,-0.2 327,-0.1 12,-0.1 -0.251 29.7-149.2 -54.5 143.3 61.3 -17.4 -2.6 85 88 A A E -J 94 0B 2 9,-2.4 9,-1.9 26,-0.1 2,-0.4 -0.150 17.1 -98.8 -96.5-161.9 61.8 -19.6 0.5 86 89 A L E -Jk 93 113B 1 26,-2.1 28,-0.6 7,-0.3 2,-0.5 -0.976 19.3-122.7-126.8 138.2 63.0 -18.6 4.0 87 90 A N > - 0 0 51 5,-3.1 4,-2.3 -2,-0.4 5,-0.2 -0.691 25.9-142.1 -71.2 123.3 66.4 -18.9 5.6 88 91 A K T 4 S+ 0 0 79 -2,-0.5 -1,-0.2 1,-0.2 25,-0.1 0.867 94.3 46.6 -61.3 -37.6 65.6 -21.0 8.7 89 92 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.970 124.4 25.0 -65.8 -55.4 68.0 -19.1 11.0 90 93 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.629 89.1-130.1 -93.1 -18.6 67.1 -15.4 10.2 91 94 A G < + 0 0 14 -4,-2.3 -3,-0.1 1,-0.3 3,-0.1 0.449 68.2 127.1 77.4 -1.7 63.5 -15.7 8.9 92 95 A K S S- 0 0 88 -5,-0.2 -5,-3.1 1,-0.1 -1,-0.3 -0.356 71.1 -75.0 -83.5 167.5 64.6 -13.6 5.9 93 96 A P E -J 86 0B 6 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.385 30.8-155.6 -67.2 136.3 64.0 -14.6 2.3 94 97 A D E -J 85 0B 32 -9,-1.9 -9,-2.4 1,-0.1 748,-0.1 -0.969 17.1-148.4-104.2 110.2 66.2 -17.3 0.8 95 98 A Y S S+ 0 0 6 -2,-0.6 2,-0.5 746,-0.3 -12,-0.2 0.666 78.8 53.9 -66.2 -20.1 65.9 -16.3 -2.9 96 99 A V S S- 0 0 8 -12,-0.1 -1,-0.1 725,-0.1 315,-0.1 -0.929 75.1-162.9-118.9 111.9 66.2 -19.8 -4.4 97 100 A T - 0 0 2 -2,-0.5 2,-0.2 -14,-0.2 312,-0.1 -0.344 8.3-141.1 -84.9 163.3 63.7 -22.4 -3.1 98 101 A D > - 0 0 22 -2,-0.1 4,-1.8 311,-0.0 5,-0.2 -0.583 38.0 -92.9-108.2-179.0 63.7 -26.2 -3.2 99 102 A S H > S+ 0 0 3 -2,-0.2 4,-2.9 2,-0.2 5,-0.3 0.909 120.4 54.6 -60.2 -46.7 60.7 -28.4 -3.8 100 103 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 18,-0.3 0.964 111.4 41.9 -52.4 -60.2 59.9 -29.0 -0.1 101 104 A A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 118.6 44.4 -60.7 -41.5 59.7 -25.3 0.8 102 105 A S H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.904 113.4 48.8 -74.2 -40.3 57.7 -24.2 -2.2 103 106 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -2,-0.2 0.789 110.2 53.9 -68.1 -27.1 55.3 -27.2 -2.1 104 107 A T H X>S+ 0 0 0 -4,-2.0 4,-0.9 -5,-0.3 6,-0.6 0.907 105.0 56.7 -67.8 -39.9 54.8 -26.4 1.6 105 108 A A H X5S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.2 3,-0.3 0.923 115.0 32.7 -57.9 -50.9 54.0 -22.8 0.5 106 109 A W H <5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 120.8 48.4 -79.1 -33.5 51.1 -23.7 -1.8 107 110 A S H <5S+ 0 0 0 -4,-1.8 22,-1.8 -5,-0.2 23,-0.2 0.566 130.7 19.6 -81.0 -4.7 49.8 -26.7 0.0 108 111 A T H <5S- 0 0 8 -4,-0.9 -3,-0.2 -3,-0.3 -2,-0.2 0.611 93.6-122.9-138.7 -31.6 49.8 -24.9 3.4 109 112 A G S < -k 86 0B 14 -2,-0.2 3,-2.0 6,-0.2 -26,-0.2 -0.584 57.5 -82.2 -96.4 157.9 62.9 -23.1 4.9 114 117 A N T 3 S+ 0 0 56 -28,-0.6 -1,-0.1 1,-0.3 3,-0.1 -0.337 115.7 22.3 -62.4 126.7 64.5 -25.3 2.2 115 118 A G T 3 S+ 0 0 11 1,-0.4 48,-1.5 -2,-0.1 -1,-0.3 0.198 92.2 125.6 105.4 -14.2 64.0 -29.0 3.0 116 119 A A < - 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0 0 18 -5,-2.2 -1,-0.3 -6,-0.2 176,-0.3 -0.429 55.6-115.2 -72.5 146.2 48.3 11.3 -33.9 586 142 B A E -z 761 0J 3 174,-2.7 176,-2.6 168,-0.2 2,-0.4 -0.495 34.5-146.6 -74.2 153.2 51.2 12.9 -32.1 587 143 B T E -z 762 0J 0 174,-0.2 59,-2.4 -2,-0.1 58,-0.6 -0.982 17.3-176.8-133.6 138.6 54.3 10.7 -31.9 588 144 B G E -za 763 646J 0 174,-2.5 176,-1.8 -2,-0.4 2,-0.4 -0.984 7.9-171.8-135.9 147.2 57.1 10.3 -29.4 589 145 B N E +za 764 647J 0 57,-2.0 59,-2.2 -2,-0.3 2,-0.4 -0.894 12.7 178.7-143.2 102.5 60.3 8.2 -29.3 590 146 B V E +za 765 648J 0 174,-2.8 176,-1.7 -2,-0.4 2,-0.3 -0.895 6.0 164.9-117.4 136.9 62.3 8.0 -26.1 591 147 B S E -z 766 0J 0 57,-2.9 176,-0.2 -2,-0.4 59,-0.1 -0.997 38.7-154.6-154.7 138.3 65.5 6.0 -25.5 592 148 B T E S+ 0 0 5 174,-2.0 116,-2.5 -2,-0.3 2,-0.1 0.564 85.6 73.8 -87.6 -11.8 68.4 5.8 -23.0 593 149 B A E S- 0 0 0 173,-0.4 57,-2.2 114,-0.2 -2,-0.1 -0.416 109.1 -66.0 -85.4 169.0 70.5 4.3 -25.9 594 150 B E E > - a 0 650J 39 55,-0.2 3,-1.2 1,-0.1 57,-0.3 -0.287 51.0-123.1 -40.0 139.9 72.0 6.0 -28.9 595 151 B L T 3 S+ 0 0 0 55,-1.6 -1,-0.1 1,-0.2 56,-0.1 0.784 111.1 59.8 -68.1 -24.2 69.0 7.1 -30.9 596 152 B Q T 3 S+ 0 0 0 4,-0.1 -1,-0.2 5,-0.1 -2,-0.1 0.549 81.8 116.3 -80.3 -6.1 70.4 5.1 -33.9 597 153 B D S <> S- 0 0 3 -3,-1.2 4,-2.6 1,-0.1 5,-0.3 -0.198 83.3 -98.4 -64.1 158.1 70.2 1.9 -31.8 598 154 B A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.859 113.7 51.5 -47.8 -55.3 67.8 -0.8 -33.0 599 155 B T H 4 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.922 119.0 32.5 -57.9 -55.3 64.8 -0.2 -30.8 600 156 B P H >4 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.934 119.5 55.5 -64.9 -42.2 64.3 3.5 -31.3 601 157 B A H >X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.3 3,-1.7 0.833 93.4 69.1 -57.9 -35.6 65.5 3.2 -34.9 602 158 B A T 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.706 96.7 53.9 -59.2 -22.2 62.9 0.5 -35.8 603 159 B L T <4 S+ 0 0 0 -3,-1.5 -25,-0.4 -4,-0.4 -1,-0.3 0.707 124.1 21.1 -82.5 -20.9 60.1 3.1 -35.5 604 160 B V T <4 S+ 0 0 3 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.554 112.6 62.8-128.0 -17.6 61.6 5.5 -38.0 605 161 B A < - 0 0 0 -4,-3.0 2,-0.4 -5,-0.1 30,-0.1 -0.882 49.9-160.0-122.4 150.5 64.1 3.8 -40.2 606 162 B H + 0 0 6 -2,-0.3 2,-0.3 27,-0.2 -41,-0.2 -0.947 36.0 139.9-126.2 109.2 64.1 1.0 -42.8 607 163 B V B -G 564 0L 0 -43,-2.5 -43,-1.9 -2,-0.4 -41,-0.2 -0.924 55.0-125.1-147.0 164.3 67.5 -0.6 -43.4 608 164 B T S S+ 0 0 30 -2,-0.3 2,-0.4 1,-0.2 14,-0.1 0.721 97.7 33.4 -92.1 -23.7 69.1 -4.0 -44.0 609 165 B S > - 0 0 27 -46,-0.1 3,-1.4 -45,-0.1 -1,-0.2 -0.996 69.6-139.3-129.1 142.0 71.6 -3.8 -41.2 610 166 B R T 3 S+ 0 0 56 -48,-0.9 -47,-0.1 -2,-0.4 -1,-0.1 0.613 97.8 77.0 -69.7 -11.4 71.2 -2.1 -37.8 611 167 B K T 3 + 0 0 125 1,-0.2 2,-2.4 -49,-0.1 3,-0.3 0.590 63.8 99.6 -73.3 -11.1 74.8 -0.9 -38.2 612 168 B c < + 0 0 0 -3,-1.4 23,-2.8 1,-0.2 24,-0.3 -0.312 39.4 147.5 -80.1 60.7 73.8 1.8 -40.7 613 169 B Y - 0 0 50 -2,-2.4 23,-2.3 21,-0.2 24,-0.2 0.940 66.0 -2.6 -59.9 -53.2 73.9 4.6 -38.2 614 170 B G S > S- 0 0 0 -3,-0.3 4,-2.6 21,-0.2 5,-0.2 -0.707 90.0 -76.0-134.5-178.1 75.0 7.4 -40.6 615 171 B P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.891 124.0 54.3 -49.7 -47.4 76.0 8.0 -44.2 616 172 B S H > S+ 0 0 72 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.930 114.3 37.4 -54.7 -54.4 79.4 6.5 -43.7 617 173 B A H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.862 115.9 54.6 -68.1 -36.9 78.3 3.1 -42.3 618 174 B T H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 8,-0.4 0.935 103.9 52.3 -64.6 -48.2 75.3 2.9 -44.6 619 175 B S H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 118.2 40.9 -56.1 -30.3 77.3 3.4 -47.9 620 176 B E H < S+ 0 0 136 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.784 130.4 19.1 -93.9 -29.1 79.5 0.6 -46.7 621 177 B K H < S+ 0 0 92 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.641 131.8 35.8-120.6 -22.4 77.1 -2.0 -45.2 622 178 B c >X + 0 0 0 -4,-2.4 3,-3.4 -5,-0.4 4,-1.5 -0.401 65.4 162.8-125.4 57.2 73.7 -1.1 -46.6 623 179 B P T 34 S+ 0 0 66 0, 0.0 3,-0.2 0, 0.0 8,-0.1 0.819 76.4 57.5 -45.0 -39.8 74.7 -0.0 -50.1 624 180 B G T 34 S+ 0 0 61 1,-0.2 8,-0.2 -3,-0.1 -5,-0.1 0.683 110.0 42.6 -65.1 -21.8 71.1 -0.5 -51.2 625 181 B N T <4 S+ 0 0 17 -3,-3.4 8,-2.1 -7,-0.3 -1,-0.2 0.644 85.0 120.0 -96.4 -19.7 69.9 2.0 -48.5 626 182 B A ><> - 0 0 1 -4,-1.5 3,-2.1 -8,-0.4 5,-1.9 -0.188 65.5-134.4 -53.2 130.6 72.6 4.6 -49.1 627 183 B L G > 5S+ 0 0 54 1,-0.3 3,-2.1 3,-0.2 -1,-0.1 0.907 105.4 55.7 -51.7 -47.8 71.3 8.0 -50.1 628 184 B E G 3 5S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.509 105.8 54.4 -70.5 -1.8 73.8 8.4 -52.9 629 185 B K G < 5S- 0 0 115 -3,-2.1 -1,-0.3 -6,-0.1 -2,-0.2 0.126 128.5 -92.4-112.9 16.0 72.7 5.1 -54.3 630 186 B G T < 5S+ 0 0 77 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.717 84.9 131.4 81.6 22.1 69.0 6.0 -54.5 631 187 B G S - 0 0 0 -2,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.055 66.7 -98.1 -61.9 169.9 71.0 6.0 -43.1 635 191 B I H > S+ 0 0 0 -23,-2.8 4,-2.4 2,-0.2 -22,-0.2 0.940 124.7 46.6 -54.5 -50.8 69.1 5.4 -39.9 636 192 B T H > S+ 0 0 0 -23,-2.3 4,-2.4 -24,-0.3 5,-0.2 0.937 112.3 48.7 -61.8 -49.5 69.7 9.0 -38.8 637 193 B E H > S+ 0 0 5 -24,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 113.3 48.6 -55.7 -42.1 68.7 10.5 -42.1 638 194 B Q H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.867 108.0 55.0 -67.4 -34.9 65.6 8.4 -42.0 639 195 B L H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 5,-0.4 0.934 107.2 49.6 -60.8 -46.9 64.9 9.5 -38.5 640 196 B L H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 111.7 48.8 -61.4 -38.3 65.0 13.1 -39.5 641 197 B N H < S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.876 103.5 60.4 -66.7 -39.4 62.6 12.4 -42.4 642 198 B A H < S- 0 0 17 -4,-2.2 -2,-0.2 -38,-0.2 -1,-0.2 0.876 86.8-164.9 -60.8 -37.2 60.2 10.6 -40.1 643 199 B R < - 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0 0 12 -5,-2.1 2,-0.6 -6,-0.2 -1,-0.3 -0.574 42.5-135.5 -72.9 135.3 63.9 20.9 -35.2 679 235 B Q E -c 699 0J 52 19,-3.0 21,-2.8 -2,-0.3 2,-0.5 -0.844 24.5-157.6 -82.5 127.8 64.4 22.2 -31.7 680 236 B L E -c 700 0J 44 -2,-0.6 2,-0.3 19,-0.2 21,-0.2 -0.930 13.1-179.3-108.2 131.7 67.5 20.6 -30.4 681 237 B V E -c 701 0J 12 19,-1.9 21,-2.4 -2,-0.5 3,-0.1 -0.940 13.6-172.3-124.4 152.6 68.2 20.2 -26.6 682 238 B S + 0 0 67 -2,-0.3 2,-0.2 19,-0.2 -1,-0.1 0.485 64.1 20.1-123.7 -7.4 71.2 18.7 -25.0 683 239 B D S > S- 0 0 50 57,-0.1 4,-1.8 1,-0.1 57,-0.2 -0.866 85.1 -85.6-150.4-173.1 70.5 18.5 -21.2 684 240 B A H > S+ 0 0 27 55,-2.3 4,-2.1 -2,-0.2 5,-0.1 0.898 119.4 49.9 -69.8 -43.5 67.7 18.5 -18.6 685 241 B A H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.948 112.6 46.5 -60.3 -51.6 67.4 22.3 -18.2 686 242 B S H 4 S+ 0 0 31 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.868 108.4 58.1 -61.5 -35.4 67.1 22.9 -21.9 687 243 B L H >< S+ 0 0 6 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.948 105.5 49.4 -57.6 -49.0 64.6 20.0 -22.1 688 244 B N H 3< S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 99.0 66.5 -58.9 -37.3 62.3 21.8 -19.5 689 245 B S T 3< S+ 0 0 96 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.667 77.8 108.9 -60.2 -16.8 62.5 25.1 -21.5 690 246 B V < + 0 0 9 -3,-1.5 3,-0.1 -4,-0.5 9,-0.0 -0.447 43.7 179.8 -71.6 134.8 60.5 23.4 -24.3 691 247 B T + 0 0 112 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.789 61.3 2.7-105.6 -40.6 57.0 24.6 -24.6 692 248 B E - 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0 0 2 -79,-2.5 2,-0.2 -2,-0.4 -5,-0.1 -0.401 35.5-116.5 -73.2 155.5 77.0 -12.5 -22.1 855 411 B E - 0 0 44 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.588 11.9-107.6-108.9 155.5 74.2 -13.6 -24.5 856 412 B H - 0 0 24 -2,-0.2 -481,-0.4 -40,-0.2 2,-0.3 -0.217 32.3-143.1 -61.2 160.8 70.5 -13.2 -25.0 857 413 B T B -P 815 0R 6 -42,-1.3 -42,-0.9 -483,-0.1 -483,-0.2 -0.901 9.1-135.7-127.7 162.9 68.2 -16.1 -24.2 858 414 B G + 0 0 5 -485,-1.5 -328,-0.3 -2,-0.3 -327,-0.1 0.410 53.8 132.8-102.6 0.8 65.1 -17.2 -26.1 859 415 B S - 0 0 13 -486,-0.3 -44,-0.3 -43,-0.1 -806,-0.2 -0.222 63.7-108.9 -52.1 134.1 62.7 -17.9 -23.2 860 416 B Q - 0 0 0 -808,-0.5 2,-0.3 -807,-0.1 -361,-0.2 -0.186 46.9-162.6 -53.2 160.2 59.2 -16.4 -23.6 861 417 B L E -X 528 0J 0 -333,-1.7 -333,-2.4 -363,-0.1 -363,-0.1 -0.949 19.1 -67.2-153.1 169.6 58.7 -13.6 -21.1 862 418 B R E +X 527 0J 6 -2,-0.3 -50,-0.4 -335,-0.2 2,-0.4 -0.292 35.4 179.3 -67.6 133.6 56.3 -11.3 -19.3 863 419 B I E -X 526 0J 1 -337,-2.3 -337,-2.1 10,-0.2 2,-0.3 -0.999 10.3-176.6-128.3 134.9 54.1 -8.7 -21.1 864 420 B A E -XD 525 810J 0 -54,-2.3 -54,-2.9 -2,-0.4 2,-0.3 -0.972 2.6-175.3-137.0 146.0 51.7 -6.6 -19.0 865 421 B A E -XD 524 809J 0 -341,-2.9 -341,-1.8 -2,-0.3 2,-0.3 -0.950 13.7-165.0-143.3 158.2 49.1 -4.0 -19.8 866 422 B Y E + D 0 808J 7 -58,-2.4 -58,-3.1 -2,-0.3 -416,-0.1 -0.995 55.6 20.7-140.3 139.3 46.7 -1.5 -18.4 867 423 B G S > S+ 0 0 2 -2,-0.3 3,-2.0 -387,-0.3 -385,-0.4 -0.531 99.0 5.9 105.4-169.8 43.8 0.3 -20.1 868 424 B P T 3 S+ 0 0 0 0, 0.0 -385,-0.2 0, 0.0 -2,-0.1 -0.274 131.6 2.8 -56.6 127.8 41.7 -0.1 -23.3 869 425 B H T > S+ 0 0 18 -387,-2.7 3,-1.7 1,-0.1 -843,-0.1 0.529 84.9 134.8 71.9 10.5 42.4 -3.4 -25.1 870 426 B A G X + 0 0 2 -3,-2.0 3,-1.5 -388,-0.3 4,-0.2 0.769 57.5 76.4 -62.1 -23.2 44.9 -4.5 -22.5 871 427 B A G > S+ 0 0 2 -389,-0.3 3,-2.4 1,-0.3 -1,-0.3 0.831 76.8 73.4 -51.2 -35.3 43.2 -7.9 -22.6 872 428 B N G < S+ 0 0 7 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.408 90.7 59.5 -70.5 7.9 44.9 -8.8 -25.8 873 429 B V G < S+ 0 0 3 -3,-1.5 -1,-0.3 -4,-0.1 -10,-0.2 0.525 84.0 101.3-107.9 -12.4 48.1 -9.2 -23.9 874 430 B V S < S+ 0 0 3 -3,-2.4 -348,-0.3 -4,-0.2 -797,-0.1 -0.331 75.9 9.9 -79.9 156.2 46.9 -12.0 -21.6 875 431 B G E S-y 526 0J 0 -350,-0.8 -348,-1.3 -797,-0.1 2,-0.5 -0.245 117.3 -24.8 70.3-165.1 47.7 -15.7 -22.2 876 432 B L E S+y 527 0J 0 -803,-0.5 2,-0.3 -801,-0.2 -348,-0.2 -0.689 75.8 154.7 -83.1 124.6 50.2 -16.8 -24.7 877 433 B T E -y 528 0J 3 -350,-2.1 -348,-1.6 -2,-0.5 2,-0.3 -0.797 35.9-115.2-133.6-176.5 50.8 -14.3 -27.5 878 434 B D E >> -y 529 0J 0 -350,-0.3 3,-0.9 -2,-0.3 4,-0.8 -0.881 28.6-110.9-121.6 154.9 53.6 -13.4 -29.9 879 435 B Q H >> S+ 0 0 1 -350,-2.9 3,-0.9 -2,-0.3 4,-0.7 0.845 118.0 56.3 -51.0 -40.3 55.6 -10.3 -30.3 880 436 B T H >> S+ 0 0 1 -351,-0.3 4,-1.4 1,-0.3 3,-0.7 0.842 93.7 66.4 -65.8 -33.3 53.9 -9.5 -33.6 881 437 B D H <> S+ 0 0 3 -3,-0.9 4,-2.2 1,-0.2 -1,-0.3 0.833 93.2 65.3 -51.8 -32.1 50.4 -9.7 -32.0 882 438 B L H S+ 0 0 55 -4,-2.4 5,-2.7 -5,-0.2 4,-0.5 0.962 113.4 41.1 -57.7 -52.8 47.0 -0.9 -34.4 888 444 B A H ><5S+ 0 0 64 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.887 111.8 56.0 -65.2 -39.5 43.4 -2.0 -33.5 889 445 B A H 3<5S+ 0 0 1 -4,-2.2 -403,-1.8 1,-0.3 -1,-0.2 0.911 114.3 38.7 -60.9 -44.6 43.4 -0.0 -30.2 890 446 B L T 3<5S- 0 0 21 -4,-2.2 -1,-0.3 -405,-0.2 -2,-0.2 0.467 111.2-124.5 -82.5 -3.0 44.3 3.2 -31.9 891 447 B G T < 5 + 0 0 56 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.893 47.9 174.1 60.5 41.0 42.0 2.3 -34.8 892 448 B L < 0 0 12 -5,-2.7 -1,-0.2 -6,-0.2 -312,-0.1 -0.419 360.0 360.0 -81.4 157.2 44.7 2.7 -37.3 893 449 B K 0 0 177 -314,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.988 360.0 360.0 64.3 360.0 44.4 1.8 -41.0