==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 07-MAY-97 1AJP . COMPND 2 MOLECULE: PENICILLIN AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.H.DONE . 763 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.5 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 . 1 0.1 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 . 33 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 3 1 2 0 1 3 3 3 0 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 0 0 0 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 . 7 4 3 5 2 1 4 1 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 1 0 1 0 0 0 1 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 3 A S > 0 0 97 0, 0.0 3,-1.2 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 127.4 0.9 13.4 4.3 2 4 A S T 3 + 0 0 78 1,-0.3 18,-0.2 18,-0.1 19,-0.2 0.643 360.0 52.3 -70.4 -14.6 0.3 12.7 8.0 3 5 A S T 3 S+ 0 0 29 760,-0.1 759,-3.2 16,-0.1 2,-0.5 0.391 89.6 102.7-102.4 -3.9 3.7 11.1 8.3 4 6 A E E < -A 761 0A 58 -3,-1.2 2,-0.5 757,-0.2 16,-0.3 -0.739 43.8-177.4 -89.3 131.5 5.6 14.0 6.8 5 7 A I E -A 760 0A 0 755,-2.5 755,-2.7 -2,-0.5 2,-0.5 -0.963 9.9-163.1-121.3 119.1 7.5 16.6 8.8 6 8 A K E -AB 759 18A 53 12,-2.3 12,-2.0 -2,-0.5 2,-0.6 -0.880 1.5-165.6-104.6 127.6 9.1 19.5 6.8 7 9 A I E -AB 758 17A 3 751,-3.1 751,-2.0 -2,-0.5 2,-0.5 -0.928 5.7-176.6-114.8 113.3 11.9 21.6 8.4 8 10 A V E -AB 757 16A 0 8,-2.1 8,-2.5 -2,-0.6 2,-0.4 -0.917 8.8-159.2-109.6 121.8 12.9 24.9 6.8 9 11 A R E -AB 756 15A 26 747,-2.0 746,-2.9 -2,-0.5 747,-1.3 -0.877 12.0-141.9-101.2 139.6 15.8 26.9 8.3 10 12 A D E > -A 754 0A 0 4,-1.7 3,-2.1 -2,-0.4 744,-0.2 -0.203 40.3 -77.1 -88.7-167.1 16.1 30.6 7.5 11 13 A E T 3 S+ 0 0 68 742,-0.8 743,-0.1 1,-0.3 -1,-0.0 0.734 133.3 48.7 -65.2 -15.1 19.1 32.8 6.9 12 14 A Y T 3 S- 0 0 63 2,-0.1 702,-0.4 701,-0.0 -1,-0.3 0.417 121.4-105.4-105.2 7.2 19.9 32.9 10.6 13 15 A G < + 0 0 2 -3,-2.1 -2,-0.1 1,-0.3 714,-0.1 0.519 68.5 153.3 92.1 1.6 19.5 29.1 11.0 14 16 A M - 0 0 1 -5,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.630 39.1-133.0 -74.8 121.6 16.1 29.5 12.7 15 17 A P E -B 9 0A 0 0, 0.0 228,-2.0 0, 0.0 2,-0.4 -0.411 15.8-163.5 -76.3 133.1 14.0 26.3 12.1 16 18 A H E -Bc 8 243A 0 -8,-2.5 -8,-2.1 226,-0.2 2,-0.4 -0.987 13.9-148.6-111.5 125.7 10.3 26.4 11.0 17 19 A I E -Bc 7 244A 0 226,-2.3 228,-2.6 -2,-0.4 2,-0.5 -0.840 12.4-172.9-104.9 124.7 8.3 23.1 11.5 18 20 A Y E +Bc 6 245A 25 -12,-2.0 -12,-2.3 -2,-0.4 2,-0.3 -0.994 26.2 137.7-115.6 121.3 5.5 22.1 9.2 19 21 A A - 0 0 7 226,-1.5 228,-0.3 -2,-0.5 -14,-0.1 -0.940 49.0-130.5-159.5 164.8 3.5 19.0 10.3 20 22 A N S S+ 0 0 105 -16,-0.3 2,-0.3 -2,-0.3 227,-0.3 0.627 81.9 34.2-106.5 -16.7 -0.1 17.9 10.4 21 23 A D S > S- 0 0 64 -19,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.921 83.0-104.6-134.8 171.0 -0.7 16.6 13.9 22 24 A T H > S+ 0 0 9 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.882 115.9 49.8 -53.3 -55.2 0.6 17.3 17.4 23 25 A W H > S+ 0 0 13 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.890 114.1 46.0 -58.0 -41.3 2.9 14.4 17.8 24 26 A H H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.883 111.5 52.2 -69.4 -42.1 4.6 15.2 14.4 25 27 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.970 114.3 40.7 -58.1 -47.3 4.9 18.9 15.1 26 28 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.727 110.1 59.6 -79.9 -17.5 6.6 18.5 18.5 27 29 A Y H X S+ 0 0 24 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.3 0.912 105.7 49.1 -72.5 -41.1 8.7 15.7 17.2 28 30 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 110.8 50.3 -57.8 -44.0 10.1 18.1 14.6 29 31 A Y H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.946 110.9 47.7 -62.5 -48.5 10.8 20.7 17.3 30 32 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.756 109.6 55.2 -57.5 -38.9 12.7 18.2 19.5 31 33 A Y H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.941 109.4 44.0 -66.2 -48.5 14.7 17.0 16.5 32 34 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.920 111.5 55.8 -69.5 -30.3 16.0 20.5 15.6 33 35 A V H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.3 -1,-0.2 0.881 107.6 47.7 -63.0 -47.4 16.7 21.2 19.3 34 36 A A H X S+ 0 0 2 -4,-1.7 4,-0.6 2,-0.2 -1,-0.3 0.797 113.0 51.7 -60.4 -31.1 18.9 18.1 19.5 35 37 A Q H < S+ 0 0 31 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.947 122.3 27.3 -68.8 -47.2 20.6 19.3 16.3 36 38 A D H < S+ 0 0 12 -4,-2.8 680,-2.3 1,-0.2 -2,-0.2 0.863 134.6 19.9 -84.5 -40.9 21.3 22.8 17.6 37 39 A R H X + 0 0 6 -4,-3.2 4,-2.8 -5,-0.3 5,-0.3 0.024 69.0 135.2-131.2 36.6 21.7 22.5 21.4 38 40 A L H X S+ 0 0 6 -4,-0.6 4,-1.9 1,-0.2 5,-0.1 0.818 78.6 42.8 -60.5 -47.3 22.4 18.9 22.5 39 41 A F H > S+ 0 0 9 2,-0.2 4,-2.5 3,-0.1 5,-0.3 0.956 115.6 49.5 -65.8 -41.0 25.2 19.5 25.0 40 42 A Q H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.960 113.3 47.8 -60.5 -45.4 23.5 22.5 26.6 41 43 A M H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.866 110.7 51.0 -65.0 -34.1 20.2 20.5 26.9 42 44 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.867 112.0 45.4 -75.3 -32.9 22.0 17.5 28.4 43 45 A M H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.857 112.4 52.6 -79.4 -27.9 23.8 19.6 31.1 44 46 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.929 107.6 52.8 -67.2 -38.9 20.4 21.4 31.7 45 47 A R H X S+ 0 0 15 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.961 112.3 43.7 -61.8 -43.4 18.9 18.0 32.2 46 48 A R H X>S+ 0 0 12 -4,-2.0 5,-2.5 1,-0.2 4,-1.0 0.795 112.5 53.7 -71.6 -24.0 21.5 17.0 34.7 47 49 A S H <5S+ 0 0 0 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.903 109.8 46.3 -75.6 -42.7 21.3 20.4 36.5 48 50 A T H <5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.658 121.0 37.9 -78.6 -12.0 17.5 20.2 37.0 49 51 A Q H <5S- 0 0 31 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.549 108.4-115.6-113.0 -11.8 17.6 16.5 38.3 50 52 A G T <5S+ 0 0 0 -4,-1.0 -3,-0.2 -3,-0.2 -4,-0.1 0.903 75.3 123.9 79.1 47.6 20.8 16.6 40.3 51 53 A T > < + 0 0 28 -5,-2.5 3,-0.6 -6,-0.1 4,-0.5 0.006 32.3 110.6-126.7 32.3 22.9 14.2 38.4 52 54 A V T >> + 0 0 0 -6,-0.6 4,-3.1 1,-0.2 3,-1.3 0.899 68.7 62.6 -71.4 -41.4 26.0 16.5 37.7 53 55 A A H 3> S+ 0 0 0 7,-0.4 263,-3.1 1,-0.3 4,-1.2 0.675 90.1 68.2 -64.0 -23.7 28.4 14.6 39.9 54 56 A E H <4 S+ 0 0 68 -3,-0.6 -1,-0.3 261,-0.3 -2,-0.2 0.831 118.6 21.2 -63.6 -35.2 28.2 11.4 37.9 55 57 A V H <4 S+ 0 0 19 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.773 136.1 35.9-103.8 -24.2 30.0 13.1 35.0 56 58 A L H < S- 0 0 39 -4,-3.1 3,-0.4 1,-0.2 -3,-0.2 0.610 97.5-143.7-111.6 -10.0 31.7 16.0 36.8 57 59 A G >< - 0 0 7 -4,-1.2 3,-2.0 -5,-0.4 -1,-0.2 -0.409 45.1 -13.8 97.7-166.5 32.7 14.6 40.1 58 60 A K G > S+ 0 0 162 258,-0.4 3,-1.2 1,-0.3 4,-0.3 0.656 114.7 68.3 -62.7 -28.1 33.1 15.5 43.8 59 61 A D G 3 S+ 0 0 143 -3,-0.4 -1,-0.3 1,-0.2 4,-0.3 0.706 102.8 50.7 -64.8 -20.8 32.8 19.3 43.5 60 62 A F G <> S+ 0 0 37 -3,-2.0 4,-2.6 1,-0.2 -7,-0.4 0.309 78.5 96.4-100.9 8.4 29.1 18.8 42.5 61 63 A V H <> S+ 0 0 13 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.922 87.6 45.2 -64.6 -43.3 27.9 16.5 45.3 62 64 A K H > S+ 0 0 153 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.933 113.2 51.8 -65.8 -41.3 26.4 19.3 47.5 63 65 A F H > S+ 0 0 33 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.958 110.7 48.2 -55.1 -53.7 24.8 20.8 44.4 64 66 A D H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.913 111.7 48.9 -60.1 -46.0 23.2 17.5 43.5 65 67 A K H X S+ 0 0 40 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.3 0.893 110.2 51.3 -60.2 -39.0 21.9 16.9 46.9 66 68 A D H X S+ 0 0 59 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.892 109.3 50.4 -65.1 -44.7 20.4 20.4 47.1 67 69 A I H >< S+ 0 0 21 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.989 112.4 47.4 -54.7 -48.8 18.6 20.0 43.8 68 70 A R H >< S+ 0 0 24 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.887 107.6 54.7 -66.9 -33.4 17.1 16.6 44.9 69 71 A R H 3< S+ 0 0 109 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.651 100.2 63.5 -71.7 -18.9 16.0 17.9 48.3 70 72 A N T << S+ 0 0 38 -3,-1.3 2,-0.3 -4,-1.1 -1,-0.3 0.222 105.9 33.5 -91.3 14.6 14.0 20.7 46.6 71 73 A Y < - 0 0 18 -3,-1.2 260,-0.0 -4,-0.1 0, 0.0 -0.932 64.2-131.9-157.5 172.8 11.4 18.6 44.7 72 74 A W >> - 0 0 25 -2,-0.3 3,-1.5 1,-0.1 4,-1.1 -0.813 15.6-164.9-133.8 86.9 9.4 15.4 44.8 73 75 A P H 3> S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.836 84.6 60.9 -50.9 -37.0 9.7 13.5 41.5 74 76 A D H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.768 100.9 54.8 -60.7 -34.0 6.8 11.2 42.1 75 77 A A H <> S+ 0 0 30 -3,-1.5 4,-1.0 2,-0.2 -1,-0.3 0.834 108.4 49.2 -69.8 -30.8 4.4 14.1 42.2 76 78 A I H X S+ 0 0 4 -4,-1.1 4,-2.0 -3,-0.4 3,-0.5 0.932 110.5 49.8 -71.2 -42.4 5.7 15.3 38.8 77 79 A R H X S+ 0 0 108 -4,-2.3 4,-2.8 1,-0.3 5,-0.2 0.967 107.1 55.5 -65.1 -35.7 5.2 11.8 37.3 78 80 A A H X S+ 0 0 63 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.826 107.0 49.8 -61.3 -29.9 1.7 11.6 38.7 79 81 A Q H < S+ 0 0 27 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.2 0.873 110.4 50.2 -79.7 -34.0 0.8 14.9 36.9 80 82 A I H >< S+ 0 0 18 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.921 106.9 55.2 -66.6 -39.9 2.3 13.5 33.6 81 83 A A H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.725 102.9 57.2 -68.2 -18.4 0.1 10.3 34.0 82 84 A A T 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.351 81.8 114.6 -91.2 5.1 -3.1 12.4 34.3 83 85 A L < - 0 0 38 -3,-1.6 -3,-0.0 -4,-0.2 -4,-0.0 -0.500 69.0-115.5 -73.8 151.7 -2.6 14.2 31.0 84 86 A S > - 0 0 53 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.160 34.9-101.6 -71.7 162.4 -5.1 13.6 28.1 85 87 A P H > S+ 0 0 112 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.909 121.2 52.2 -57.9 -42.0 -3.7 12.0 25.0 86 88 A E H > S+ 0 0 112 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.963 113.8 42.5 -61.8 -50.3 -3.5 15.3 23.1 87 89 A D H >> S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.879 111.3 54.6 -63.0 -40.2 -1.5 17.0 25.8 88 90 A M H 3X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.871 99.2 64.8 -63.1 -31.5 0.7 14.0 26.4 89 91 A S H 3X S+ 0 0 8 -4,-1.7 4,-3.8 -5,-0.2 5,-0.3 0.831 94.4 58.6 -57.8 -42.0 1.6 14.0 22.7 90 92 A I H X S+ 0 0 96 -4,-1.8 4,-1.8 1,-0.2 3,-0.5 0.947 113.4 51.5 -57.6 -40.8 21.8 9.1 14.6 105 107 A V H 3< S+ 0 0 0 -4,-3.0 7,-0.2 1,-0.3 -1,-0.2 0.905 109.7 46.5 -63.7 -45.7 24.5 10.8 16.8 106 108 A N H 3< S+ 0 0 69 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.739 113.6 51.6 -76.1 -8.4 25.4 7.7 18.8 107 109 A T H << S+ 0 0 116 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.767 122.5 26.9 -91.7 -25.5 25.6 5.8 15.5 108 110 A N S >X S+ 0 0 67 -4,-1.8 4,-2.0 -3,-0.2 3,-1.3 -0.481 70.7 153.8-135.7 60.4 27.9 8.2 13.7 109 111 A P H 3> + 0 0 47 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.690 60.3 74.8 -69.6 -21.0 29.9 9.9 16.4 110 112 A E H 34 S+ 0 0 133 1,-0.2 611,-0.1 2,-0.1 -5,-0.0 0.718 118.4 13.7 -65.0 -27.7 33.0 10.7 14.3 111 113 A T H <4 S+ 0 0 80 -3,-1.3 -1,-0.2 -6,-0.1 610,-0.1 0.538 132.6 41.7-119.9 -21.3 31.0 13.5 12.6 112 114 A L H < S+ 0 0 46 -4,-2.0 -2,-0.1 -7,-0.2 -7,-0.1 0.650 79.3 100.7-109.1 -12.3 27.9 14.1 14.6 113 115 A L S < S- 0 0 6 -4,-1.1 5,-0.1 -5,-0.3 -11,-0.0 -0.605 79.3-112.9 -78.3 124.4 28.8 14.1 18.3 114 116 A P >> - 0 0 9 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.233 25.8-119.9 -48.2 132.4 29.2 17.6 19.7 115 117 A K H >> S+ 0 0 80 603,-3.5 4,-2.4 1,-0.2 3,-0.7 0.848 106.4 65.6 -46.9 -42.3 32.8 18.3 20.7 116 118 A Q H 3> S+ 0 0 9 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.856 93.0 61.6 -56.0 -32.0 32.1 19.0 24.4 117 119 A F H <>>S+ 0 0 0 -3,-1.4 5,-1.8 2,-0.2 4,-0.8 0.931 108.8 42.8 -61.2 -40.5 31.0 15.3 25.0 118 120 A N H X<5S+ 0 0 96 -4,-0.8 3,-1.1 -3,-0.7 -2,-0.2 0.983 114.9 52.1 -67.0 -49.3 34.5 14.2 24.0 119 121 A T H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.853 118.6 33.8 -53.2 -49.4 35.9 17.0 26.1 120 122 A F H 3<5S- 0 0 60 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.438 112.1-122.0 -89.8 -1.9 34.0 16.1 29.2 121 123 A G T <<5S+ 0 0 52 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.892 70.5 89.3 76.1 50.0 34.1 12.3 28.5 122 124 A F < - 0 0 29 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 59.8-126.2-163.0 172.5 30.5 11.0 28.3 123 125 A T - 0 0 80 -2,-0.3 -17,-0.0 -5,-0.0 2,-0.0 -0.957 32.2 -90.1-132.9 158.3 27.8 10.5 25.7 124 126 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -85,-0.0 -0.288 35.4-151.7 -64.5 151.4 24.1 11.6 25.4 125 127 A K - 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0 0 14 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.190 17.3-117.3 -55.6 143.3 -5.5 51.1 30.2 440 233 B Q T 3 S+ 0 0 132 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.914 112.2 62.6 -54.1 -38.1 -6.5 54.9 30.1 441 234 B S T 3 S- 0 0 59 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.638 105.6-125.0 -52.8 -35.0 -2.7 55.8 29.8 442 235 B G S < S+ 0 0 4 -3,-2.0 -228,-2.2 1,-0.1 -225,-0.4 0.529 78.6 61.7 93.6 0.4 -2.2 54.1 26.4 443 236 B Y E -L 213 0C 20 -230,-0.2 2,-0.4 -227,-0.1 -230,-0.2 -0.992 61.7-143.7-157.0 162.9 0.7 51.9 27.6 444 237 B I E +L 212 0C 2 -232,-1.9 -232,-3.0 -2,-0.3 2,-0.3 -1.000 24.0 177.3-127.3 128.8 1.9 49.2 30.0 445 238 B A E +L 211 0C 4 -2,-0.4 2,-0.3 -258,-0.3 -234,-0.2 -0.990 3.7 166.0-136.6 142.1 5.4 49.3 31.5 446 239 B N E +L 210 0C 0 -236,-2.0 -236,-1.7 -2,-0.3 4,-0.0 -0.978 23.3 174.1-153.2 146.3 7.1 47.0 34.0 447 240 B W S S- 0 0 2 -2,-0.3 -238,-0.2 -238,-0.2 23,-0.1 -0.257 85.8 -66.8-145.4 43.7 10.6 46.3 35.2 448 241 B N S S+ 0 0 19 1,-0.2 2,-0.2 -240,-0.1 -239,-0.1 0.794 99.6 136.4 78.4 17.2 9.7 43.9 38.0 449 242 B N - 0 0 1 1,-0.2 -1,-0.2 20,-0.1 -263,-0.1 -0.417 65.2 -57.7 -84.0 172.1 8.0 46.7 39.9 450 243 B S B -j 186 0B 4 -265,-0.6 -263,-2.4 -2,-0.2 -262,-0.2 -0.262 36.9-144.4 -60.1 141.2 4.7 46.3 41.6 451 244 B P S S- 0 0 0 0, 0.0 -263,-2.2 0, 0.0 2,-0.3 0.850 74.6 -12.8 -62.6 -42.8 1.6 45.3 39.6 452 245 B Q S > S- 0 0 6 -265,-0.2 3,-1.9 -266,-0.1 -258,-0.1 -0.996 85.7 -65.0-164.9 156.8 -0.8 47.4 41.5 453 246 B K T 3 S+ 0 0 69 -260,-0.5 -258,-2.5 -265,-0.4 -270,-0.0 -0.319 116.5 8.2 -57.7 130.1 -1.5 49.6 44.5 454 247 B D T 3 S+ 0 0 26 1,-0.3 -1,-0.3 -273,-0.2 -260,-0.1 0.477 87.3 140.1 76.7 9.9 -1.5 47.6 47.8 455 248 B Y < - 0 0 10 -3,-1.9 -1,-0.3 -274,-0.1 2,-0.2 -0.631 49.7-131.1 -84.6 123.5 -0.2 44.3 46.2 456 249 B P - 0 0 12 0, 0.0 -176,-0.5 0, 0.0 2,-0.1 -0.537 19.0-135.7 -74.8 142.6 2.4 42.7 48.6 457 250 B A B -R 279 0F 14 -278,-0.7 -178,-0.2 -2,-0.2 -179,-0.1 -0.469 38.8 -63.6 -93.0 169.6 5.7 41.5 47.2 458 251 B S - 0 0 1 -180,-2.2 -1,-0.2 -2,-0.1 -178,-0.2 -0.135 49.3-117.7 -39.8 155.5 7.8 38.4 47.8 459 252 B D + 0 0 1 -312,-0.3 -1,-0.1 -177,-0.2 -311,-0.1 0.424 68.9 132.8 -85.7 2.4 8.9 37.9 51.4 460 253 B L > - 0 0 43 -313,-0.2 3,-2.1 1,-0.1 -3,-0.0 -0.290 57.9-139.2 -52.8 132.0 12.6 38.1 50.5 461 254 B F T 3 S+ 0 0 34 1,-0.3 -1,-0.1 -48,-0.1 -48,-0.0 0.902 102.5 52.7 -65.4 -34.4 14.4 40.5 52.9 462 255 B A T 3 S+ 0 0 58 -285,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.291 97.5 80.3 -79.5 9.6 16.4 41.9 50.0 463 256 B F < + 0 0 32 -3,-2.1 2,-0.3 -5,-0.1 -6,-0.1 -0.973 52.8 159.1-123.6 131.1 13.4 42.6 47.8 464 257 B L - 0 0 4 -2,-0.5 2,-0.6 -287,-0.0 -285,-0.1 -0.994 34.8-146.9-148.0 152.1 11.1 45.7 48.1 465 258 B W + 0 0 11 -2,-0.3 -281,-0.2 -16,-0.1 2,-0.2 -0.985 48.0 143.4-115.9 107.5 8.6 47.7 46.1 466 259 B G - 0 0 0 -2,-0.6 -16,-0.1 2,-0.4 136,-0.1 -0.743 67.3 -74.5-134.8-170.3 9.1 51.3 47.3 467 260 B G S S+ 0 0 14 -2,-0.2 2,-0.8 -283,-0.2 134,-0.0 0.841 117.4 67.6 -65.4 -31.9 9.1 54.9 46.2 468 261 B A + 0 0 0 133,-0.2 -2,-0.4 -284,-0.0 2,-0.3 -0.830 69.3 150.4 -89.2 115.1 12.5 54.4 44.5 469 262 B D > - 0 0 5 -2,-0.8 3,-1.5 -4,-0.1 4,-0.3 -0.994 49.7-133.7-145.2 131.7 11.9 52.0 41.6 470 263 B R T >> S+ 0 0 6 -2,-0.3 3,-1.4 1,-0.3 4,-0.6 0.736 96.3 77.6 -61.3 -18.3 13.8 51.6 38.3 471 264 B V H >> S+ 0 0 1 1,-0.3 4,-2.5 2,-0.2 3,-1.0 0.814 78.9 73.2 -63.5 -26.9 10.5 51.4 36.2 472 265 B T H <> S+ 0 0 32 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.873 87.6 62.9 -51.7 -33.9 10.2 55.2 36.6 473 266 B E H <> S+ 0 0 4 -3,-1.4 4,-1.1 -4,-0.3 -1,-0.2 0.880 107.0 42.4 -59.0 -36.1 13.1 55.4 34.1 474 267 B I H - 0 0 33 -2,-0.3 4,-2.7 -267,-0.2 5,-0.1 -0.604 37.1-100.2-100.5 173.9 7.0 54.9 16.4 486 279 B A H > S+ 0 0 23 -267,-0.4 4,-2.8 2,-0.2 5,-0.2 0.867 125.4 54.3 -59.8 -42.0 8.5 51.4 16.4 487 280 B D H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 110.7 45.4 -63.9 -39.2 12.0 52.9 15.9 488 281 B Q H > S+ 0 0 65 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.935 111.0 52.2 -68.9 -39.8 11.4 55.1 19.0 489 282 B A H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 4,-0.3 0.867 111.1 48.6 -64.0 -34.9 10.0 52.2 21.0 490 283 B W H >X S+ 0 0 16 -4,-2.8 3,-2.3 1,-0.2 4,-0.6 0.892 103.5 62.0 -69.0 -40.8 13.2 50.2 20.1 491 284 B D H 3X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.3 3,-0.3 0.773 85.9 72.6 -63.4 -15.8 15.4 53.1 21.1 492 285 B V H 3X S+ 0 0 2 -4,-1.0 4,-2.0 -3,-0.5 -1,-0.3 0.762 89.9 63.1 -64.7 -22.6 14.2 53.0 24.7 493 286 B I H <> S+ 0 0 2 -3,-2.3 4,-2.1 -4,-0.3 -1,-0.2 0.931 103.7 47.1 -66.4 -47.5 16.3 49.8 25.0 494 287 B R H X S+ 0 0 89 -4,-0.6 4,-0.6 -3,-0.3 -2,-0.2 0.933 114.6 44.5 -59.9 -52.7 19.4 51.9 24.3 495 288 B Q H >X S+ 0 0 53 -4,-1.9 3,-1.7 1,-0.2 4,-0.9 0.969 115.8 44.0 -55.0 -60.9 18.6 54.7 26.8 496 289 B T H >< S+ 0 0 3 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.874 107.3 62.8 -57.7 -35.2 17.5 52.5 29.7 497 290 B S H 3< S+ 0 0 6 -4,-2.1 188,-2.3 -5,-0.2 -1,-0.3 0.664 112.8 35.3 -50.7 -35.1 20.5 50.2 29.1 498 291 B R H << S+ 0 0 53 -3,-1.7 39,-3.1 -4,-0.6 2,-0.4 0.436 90.8 116.5-107.1 1.4 22.9 53.0 29.8 499 292 B Q B << -A 536 0K 20 -4,-0.9 2,-0.3 -3,-0.7 37,-0.2 -0.523 62.4-132.1 -79.9 122.5 21.0 54.9 32.6 500 293 B D - 0 0 8 35,-2.6 4,-0.3 -2,-0.4 -2,-0.1 -0.612 17.7-155.4 -63.3 129.6 22.5 55.3 36.1 501 294 B L S S+ 0 0 6 -2,-0.3 4,-0.3 1,-0.1 -1,-0.1 0.620 83.5 54.4 -84.6 -21.7 19.5 54.3 38.4 502 295 B N S >> S+ 0 0 5 1,-0.1 4,-1.6 2,-0.1 3,-0.8 0.815 87.9 76.8 -88.0 -23.7 20.7 56.2 41.5 503 296 B L H 3> S+ 0 0 12 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.854 95.0 46.0 -48.6 -58.7 21.2 59.7 40.1 504 297 B R H 34 S+ 0 0 67 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.780 113.1 54.0 -57.2 -37.0 17.5 60.8 39.9 505 298 B L H <4 S+ 0 0 5 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.814 122.0 20.0 -71.2 -45.2 16.9 59.5 43.4 506 299 B F H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.2 5,-0.2 0.592 95.5 92.3-114.8 1.2 19.6 61.3 45.4 507 300 B L H X S+ 0 0 26 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.911 87.8 51.8 -62.9 -46.4 20.6 64.3 43.3 508 301 B P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.937 110.6 49.6 -51.9 -43.9 18.0 66.6 44.9 509 302 B T H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.885 112.2 47.0 -64.1 -42.5 19.4 65.6 48.4 510 303 B L H X S+ 0 0 2 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.898 111.6 51.9 -67.0 -37.0 23.0 66.3 47.3 511 304 B Q H < S+ 0 0 73 -4,-2.5 4,-0.5 -5,-0.2 3,-0.4 0.908 110.0 47.4 -70.5 -41.7 22.1 69.6 45.8 512 305 B A H >< S+ 0 0 64 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.875 111.3 51.4 -68.9 -40.2 20.3 70.9 49.0 513 306 B A H 3< S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.2 3,-0.2 0.765 115.4 39.2 -70.7 -26.3 23.2 69.8 51.2 514 307 B T T >< S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.2 0.306 85.5 103.4-107.1 6.6 25.9 71.6 49.2 515 308 B S T < S+ 0 0 88 -3,-0.7 -1,-0.1 -4,-0.5 -2,-0.1 0.760 82.9 44.2 -62.9 -27.6 23.9 74.7 48.4 516 309 B G T 3 S+ 0 0 71 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.152 93.5 110.3 -99.7 15.8 25.6 77.0 51.0 517 310 B L S < S- 0 0 36 -3,-1.6 2,-0.2 1,-0.1 -3,-0.1 -0.616 70.8-110.1 -93.3 153.8 29.1 75.8 50.2 518 311 B T > - 0 0 95 -2,-0.3 3,-2.3 1,-0.1 6,-0.2 -0.462 27.6-111.9 -77.2 160.1 31.8 77.7 48.5 519 312 B Q T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.705 115.4 55.1 -61.6 -27.0 33.0 77.0 45.0 520 313 B S T 3 S+ 0 0 90 4,-0.0 -1,-0.3 5,-0.0 3,-0.1 0.446 79.5 105.9 -91.5 2.6 36.4 75.8 46.1 521 314 B D <> - 0 0 28 -3,-2.3 4,-1.2 1,-0.2 3,-0.4 -0.759 67.4-146.6 -81.6 122.0 34.9 73.2 48.5 522 315 B P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.883 95.0 63.4 -61.3 -30.7 35.5 69.9 46.7 523 316 B R H > S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 -9,-0.1 0.907 106.3 47.2 -58.1 -36.3 32.3 68.3 48.1 524 317 B R H > S+ 0 0 58 -3,-0.4 4,-2.0 -6,-0.2 -1,-0.3 0.850 107.4 54.3 -74.1 -35.8 30.5 71.0 46.1 525 318 B Q H X S+ 0 0 73 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.952 104.6 55.5 -66.1 -40.1 32.5 70.4 43.0 526 319 B L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.4 0.921 109.2 47.7 -54.3 -45.3 31.5 66.7 43.1 527 320 B V H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.824 109.0 53.0 -71.7 -24.9 27.8 67.7 43.2 528 321 B E H X S+ 0 0 69 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.793 104.8 54.2 -76.3 -35.8 28.2 70.1 40.3 529 322 B T H >< S+ 0 0 13 -4,-2.1 3,-0.7 -3,-0.4 4,-0.3 0.955 111.7 46.3 -56.0 -47.7 29.8 67.4 38.1 530 323 B L H >< S+ 0 0 2 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.904 107.8 57.8 -60.8 -38.0 26.6 65.3 38.9 531 324 B T H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.7 48.6 -67.8 -25.6 24.4 68.3 38.1 532 325 B R T << S+ 0 0 174 -4,-1.2 2,-0.3 -3,-0.7 -1,-0.3 0.388 97.9 88.3 -85.7 -11.8 25.7 68.7 34.6 533 326 B W < - 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0 0 58 5,-0.1 2,-0.2 6,-0.1 -2,-0.1 -0.937 41.8-126.6-148.4-176.4 30.4 43.6 40.2 586 379 B T > - 0 0 100 -2,-0.3 3,-1.7 3,-0.1 0, 0.0 -0.561 46.8 -77.7-124.2-166.4 33.6 41.9 39.2 587 380 B Q T 3 S+ 0 0 183 1,-0.3 71,-0.3 -2,-0.2 -1,-0.0 0.915 131.9 52.6 -65.4 -32.3 35.9 42.0 36.2 588 381 B D T 3 S- 0 0 68 1,-0.2 72,-0.5 69,-0.1 -1,-0.3 0.573 114.6-128.6 -74.3 -11.1 33.5 39.8 34.2 589 382 B G < - 0 0 2 -3,-1.7 -1,-0.2 70,-0.2 -3,-0.1 -0.055 46.6 -19.0 91.6 175.9 30.7 42.3 35.1 590 383 B P - 0 0 15 0, 0.0 70,-0.3 0, 0.0 -5,-0.1 -0.148 48.6-142.6 -53.2 145.3 27.2 42.0 36.6 591 384 B T S S- 0 0 90 2,-0.1 -358,-0.3 -359,-0.1 2,-0.2 0.665 81.0 -7.1 -85.8 -11.7 25.6 38.5 36.5 592 385 B G S S- 0 0 21 1,-0.2 -361,-0.1 -360,-0.1 2,-0.1 -0.641 105.7 -26.0-153.6-148.4 22.2 40.1 35.8 593 386 B S - 0 0 44 -2,-0.2 2,-0.4 -363,-0.2 -1,-0.2 -0.291 56.3-116.2 -70.5 158.7 20.4 43.4 35.7 594 387 B L + 0 0 28 -4,-0.1 2,-0.3 -2,-0.1 -11,-0.1 -0.774 43.4 168.4 -86.2 136.8 21.4 46.5 37.6 595 388 B N - 0 0 55 -2,-0.4 2,-0.5 -13,-0.3 -94,-0.1 -0.879 44.2 -88.5-137.9 175.6 18.9 47.6 40.2 596 389 B I - 0 0 5 -2,-0.3 -14,-0.1 -95,-0.1 -126,-0.1 -0.803 55.3-117.5 -82.0 125.3 18.6 50.0 43.1 597 390 B S > - 0 0 18 -16,-0.5 4,-1.9 -2,-0.5 5,-0.2 -0.103 15.2-113.7 -63.2 159.4 19.8 48.1 46.3 598 391 B V H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.818 117.4 52.3 -57.8 -51.7 17.6 47.4 49.3 599 392 B G H > S+ 0 0 1 -19,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.944 110.1 51.2 -51.3 -46.2 19.7 49.7 51.6 600 393 B A H > S+ 0 0 0 -20,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.829 108.3 49.5 -67.2 -31.6 19.3 52.4 49.0 601 394 B K H X S+ 0 0 13 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.837 113.7 47.3 -72.9 -36.7 15.4 52.0 48.8 602 395 B I H >X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 3,-0.6 0.939 112.6 49.0 -67.8 -40.0 15.3 52.1 52.6 603 396 B L H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.915 105.5 59.4 -65.9 -33.2 17.6 55.3 52.7 604 397 B Y H 3< S+ 0 0 42 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.828 104.4 49.0 -65.0 -36.9 15.4 56.9 50.0 605 398 B E H X< S+ 0 0 2 -4,-1.1 3,-1.1 -3,-0.6 4,-0.5 0.919 110.4 51.8 -67.5 -44.1 12.3 56.7 52.3 606 399 B A H >< S+ 0 0 8 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.904 107.9 50.5 -58.1 -42.3 14.4 58.2 55.2 607 400 B V T 3< S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.570 100.9 65.7 -77.1 -6.2 15.5 61.2 53.1 608 401 B Q T X S- 0 0 67 -3,-1.1 3,-1.3 -4,-0.4 -1,-0.3 0.604 88.3-164.4 -84.1 -17.3 11.9 61.8 52.0 609 402 B G G X - 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0 0 79 -746,-2.9 2,-0.3 1,-0.3 -745,-0.2 0.645 69.5 -5.0-101.9 -24.8 18.6 28.7 3.5 756 549 B S E -A 9 0A 55 -747,-1.3 -747,-2.0 2,-0.0 -1,-0.3 -0.968 55.6-149.5-161.5 167.4 17.9 24.9 3.7 757 550 B Q E -A 8 0A 90 -2,-0.3 2,-0.4 -749,-0.2 -749,-0.2 -0.995 7.7-177.7-146.3 137.8 15.2 22.2 3.9 758 551 B E E -A 7 0A 65 -751,-2.0 -751,-3.1 -2,-0.3 2,-0.4 -0.985 10.2-162.4-140.1 129.6 15.0 18.7 5.5 759 552 B V E -A 6 0A 55 -2,-0.4 2,-0.3 -753,-0.2 -753,-0.2 -0.971 5.3-168.0-116.3 137.0 12.0 16.4 5.2 760 553 B L E -A 5 0A 19 -755,-2.7 -755,-2.5 -2,-0.4 2,-0.5 -0.913 11.3-154.5-119.8 152.1 11.3 13.4 7.5 761 554 B H E +A 4 0A 125 -2,-0.3 2,-0.3 -757,-0.2 -757,-0.2 -0.991 30.2 160.2-121.8 116.1 8.8 10.6 7.1 762 555 B V - 0 0 30 -759,-3.2 2,-0.5 -2,-0.5 -2,-0.0 -0.999 27.0-155.7-141.8 144.8 7.8 9.1 10.5 763 556 B Q 0 0 113 -2,-0.3 -760,-0.1 -739,-0.0 -2,-0.0 -0.974 360.0 360.0-125.2 130.9 5.0 7.0 11.9 764 557 B R 0 0 179 -2,-0.5 -740,-0.0 0, 0.0 -671,-0.0 -0.499 360.0 360.0 -58.8 360.0 4.1 6.9 15.5