==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 01-MAY-97 1AI5 . 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) . 29143.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 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 . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 25.7 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 2 2 4 1 1 1 0 2 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 6 4 3 4 2 2 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 . 4 1 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 96 0, 0.0 3,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 131.1 0.9 13.4 4.3 2 4 A S + 0 0 77 1,-0.2 18,-0.2 17,-0.1 19,-0.2 0.665 360.0 53.7 -78.7 -15.4 0.3 12.7 8.0 3 5 A S S S+ 0 0 30 760,-0.1 759,-3.6 16,-0.1 2,-0.5 0.451 89.7 98.4 -97.7 -9.0 3.7 11.1 8.3 4 6 A E E -A 761 0A 65 -3,-0.5 2,-0.5 757,-0.3 16,-0.3 -0.703 46.1-175.3 -87.3 133.0 5.7 14.0 6.9 5 7 A I E -A 760 0A 0 755,-2.2 755,-2.7 -2,-0.5 2,-0.5 -0.973 10.5-160.4-119.5 122.6 7.5 16.6 8.9 6 8 A K E -AB 759 18A 53 12,-2.6 12,-1.7 -2,-0.5 2,-0.5 -0.908 3.4-166.3-104.8 124.7 9.1 19.5 6.8 7 9 A I E -AB 758 17A 2 751,-2.8 751,-1.9 -2,-0.5 2,-0.5 -0.932 5.7-176.5-109.6 115.2 11.9 21.5 8.5 8 10 A V E -AB 757 16A 0 8,-2.0 8,-1.9 -2,-0.5 2,-0.4 -0.906 9.7-156.3-111.4 126.2 12.9 24.8 6.8 9 11 A R E -AB 756 15A 26 747,-2.4 746,-3.2 -2,-0.5 747,-1.2 -0.867 11.0-141.3-104.8 140.5 15.8 26.9 8.3 10 12 A D E > -A 754 0A 0 4,-1.7 3,-2.0 -2,-0.4 744,-0.2 -0.168 39.8 -80.4 -88.4-169.8 16.1 30.6 7.6 11 13 A E T 3 S+ 0 0 68 742,-0.8 743,-0.1 1,-0.3 -1,-0.1 0.739 133.0 48.8 -62.2 -16.3 19.1 32.8 7.0 12 14 A Y T 3 S- 0 0 63 2,-0.1 702,-0.4 701,-0.0 -1,-0.3 0.357 122.3-105.5-107.1 10.8 19.9 32.9 10.7 13 15 A G < + 0 0 1 -3,-2.0 -2,-0.1 1,-0.3 714,-0.1 0.595 68.3 153.7 87.3 5.1 19.5 29.1 11.0 14 16 A M - 0 0 0 -5,-0.1 -4,-1.7 228,-0.1 -1,-0.3 -0.646 38.4-132.8 -76.6 125.9 16.1 29.4 12.7 15 17 A P E -B 9 0A 0 0, 0.0 228,-1.9 0, 0.0 2,-0.4 -0.389 16.2-163.9 -78.4 141.5 14.0 26.3 12.2 16 18 A H E -Bc 8 243A 0 -8,-1.9 -8,-2.0 226,-0.2 2,-0.4 -0.975 13.7-147.9-122.1 129.5 10.3 26.3 11.1 17 19 A I E -Bc 7 244A 0 226,-1.8 228,-1.9 -2,-0.4 2,-0.5 -0.876 12.4-172.8-112.0 129.9 8.3 23.1 11.6 18 20 A Y E +Bc 6 245A 27 -12,-1.7 -12,-2.6 -2,-0.4 2,-0.3 -0.994 27.1 135.4-123.0 119.7 5.5 22.0 9.3 19 21 A A - 0 0 5 226,-1.2 228,-0.3 -2,-0.5 -14,-0.1 -0.925 48.7-131.7-157.2 167.3 3.6 19.0 10.4 20 22 A N S S+ 0 0 118 -16,-0.3 2,-0.3 -2,-0.3 227,-0.2 0.576 81.3 39.3-112.5 -9.4 -0.1 18.0 10.6 21 23 A D S > S- 0 0 65 -19,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.899 83.0-107.9-135.9 169.9 -0.6 16.6 14.0 22 24 A T H > S+ 0 0 10 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 0.931 114.8 51.1 -58.0 -54.6 0.6 17.4 17.4 23 25 A W H > S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.870 113.9 44.0 -55.6 -41.4 2.9 14.5 17.8 24 26 A H H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.872 111.9 54.5 -70.8 -40.4 4.7 15.1 14.5 25 27 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 3,-0.2 0.984 114.2 38.8 -54.6 -53.6 4.9 18.9 15.2 26 28 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.743 110.5 60.7 -75.9 -20.2 6.6 18.5 18.5 27 29 A Y H X S+ 0 0 23 -4,-1.2 4,-1.6 -5,-0.4 -1,-0.2 0.924 105.2 49.0 -68.5 -41.6 8.7 15.7 17.2 28 30 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 -3,-0.2 -2,-0.2 0.954 111.0 50.0 -57.4 -43.5 10.1 18.2 14.6 29 31 A Y H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.965 110.8 48.5 -59.6 -53.8 10.8 20.7 17.4 30 32 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.818 110.1 53.2 -52.1 -46.8 12.7 18.1 19.5 31 33 A Y H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.952 109.8 45.1 -63.5 -45.0 14.7 17.0 16.5 32 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.942 111.1 54.4 -70.7 -36.4 16.0 20.5 15.6 33 35 A V H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.3 -1,-0.2 0.898 107.7 50.4 -55.1 -49.0 16.8 21.2 19.3 34 36 A A H X S+ 0 0 2 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.3 0.829 111.6 49.8 -59.4 -31.1 18.9 18.1 19.4 35 37 A Q H < S+ 0 0 31 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.950 123.1 28.5 -71.3 -42.7 20.6 19.3 16.2 36 38 A D H < S+ 0 0 9 -4,-2.5 680,-2.8 1,-0.1 681,-0.4 0.757 133.8 18.9 -87.6 -37.5 21.4 22.8 17.6 37 39 A R H X + 0 0 7 -4,-3.4 4,-2.9 -5,-0.2 5,-0.3 0.010 69.6 135.2-134.5 38.0 21.7 22.5 21.4 38 40 A L H X S+ 0 0 5 -4,-0.6 4,-1.9 1,-0.2 5,-0.1 0.848 78.8 42.9 -65.5 -41.9 22.4 18.9 22.4 39 41 A F H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.941 116.0 49.3 -69.1 -38.7 25.2 19.5 25.0 40 42 A Q H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.964 113.2 48.0 -60.3 -45.2 23.4 22.5 26.5 41 43 A M H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.880 110.5 50.5 -65.0 -37.1 20.2 20.5 26.7 42 44 A E H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.816 112.3 46.4 -73.3 -30.7 22.0 17.5 28.3 43 45 A M H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.820 111.9 51.2 -81.4 -29.1 23.7 19.7 31.0 44 46 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.920 108.5 52.8 -67.7 -39.4 20.4 21.5 31.7 45 47 A R H X S+ 0 0 16 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.951 112.9 43.0 -63.5 -43.1 18.8 18.0 32.1 46 48 A R H X>S+ 0 0 12 -4,-1.8 5,-2.5 1,-0.2 4,-1.3 0.788 113.0 53.9 -70.1 -30.3 21.5 17.0 34.6 47 49 A S H <5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 109.7 46.6 -69.8 -42.5 21.2 20.4 36.3 48 50 A T H <5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.599 120.6 37.2 -79.4 -8.8 17.5 20.2 36.8 49 51 A Q H <5S- 0 0 30 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.526 108.6-115.8-115.8 -10.9 17.6 16.6 38.1 50 52 A G T <5S+ 0 0 0 -4,-1.3 -3,-0.2 -5,-0.1 -4,-0.1 0.921 75.0 125.8 74.2 53.0 20.8 16.8 40.2 51 53 A T < + 0 0 27 -5,-2.5 4,-0.4 -6,-0.1 3,-0.4 -0.031 32.6 109.4-128.9 34.2 22.9 14.2 38.2 52 54 A V >> + 0 0 0 -6,-0.5 4,-2.5 1,-0.2 3,-1.2 0.860 68.2 62.3 -75.5 -39.7 25.9 16.5 37.5 53 55 A A H 3> S+ 0 0 0 7,-0.4 263,-2.7 1,-0.3 4,-1.9 0.724 90.7 69.3 -66.0 -19.5 28.4 14.8 39.8 54 56 A E H 34 S+ 0 0 68 -3,-0.4 -1,-0.3 261,-0.3 -2,-0.2 0.826 117.5 21.5 -66.1 -32.5 28.1 11.5 37.8 55 57 A V H <4 S+ 0 0 21 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.681 136.7 34.7-107.5 -18.8 29.9 13.2 34.8 56 58 A L H < S- 0 0 39 -4,-2.5 3,-0.4 1,-0.2 -3,-0.2 0.540 97.0-144.3-118.2 -7.0 31.7 16.0 36.6 57 59 A G >< - 0 0 7 -4,-1.9 3,-2.1 -5,-0.3 -1,-0.2 -0.312 46.2 -11.4 95.4-170.1 32.7 14.6 40.0 58 60 A K G > S+ 0 0 169 258,-0.4 3,-1.6 1,-0.3 4,-0.4 0.697 114.4 68.9 -53.0 -34.8 33.1 15.6 43.7 59 61 A D G 3 S+ 0 0 142 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.590 103.7 48.1 -65.0 -11.4 32.8 19.4 43.3 60 62 A F G <> S+ 0 0 36 -3,-2.1 4,-2.5 2,-0.1 -7,-0.4 0.322 78.8 96.2-107.8 6.6 29.1 18.9 42.4 61 63 A V H <> S+ 0 0 15 -3,-1.6 4,-2.6 2,-0.2 5,-0.2 0.955 88.8 46.2 -61.6 -46.6 27.8 16.5 45.1 62 64 A K H > S+ 0 0 155 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.916 112.1 52.3 -60.3 -44.8 26.4 19.4 47.3 63 65 A F H > S+ 0 0 37 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.970 110.7 46.7 -54.5 -55.7 24.8 20.9 44.2 64 66 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 111.7 50.5 -59.9 -44.9 23.1 17.6 43.3 65 67 A K H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 110.3 51.1 -61.0 -39.0 21.9 17.0 46.9 66 68 A D H X S+ 0 0 61 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.921 110.5 48.4 -64.0 -41.5 20.4 20.6 47.0 67 69 A I H >< S+ 0 0 19 -4,-2.2 3,-1.0 -5,-0.2 -1,-0.2 0.960 112.7 47.9 -62.0 -46.1 18.6 20.0 43.7 68 70 A R H >< S+ 0 0 21 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.936 107.4 54.7 -67.0 -36.8 17.1 16.7 44.8 69 71 A R H 3< S+ 0 0 112 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.616 100.1 64.2 -67.6 -18.9 15.9 18.0 48.2 70 72 A N T << S+ 0 0 41 -3,-1.0 2,-0.3 -4,-0.8 -1,-0.3 0.312 105.5 32.2 -90.1 8.6 13.9 20.8 46.5 71 73 A Y < - 0 0 14 -3,-1.3 260,-0.0 -4,-0.2 67,-0.0 -0.938 65.6-130.3-152.0 176.1 11.4 18.7 44.6 72 74 A W >> - 0 0 23 -2,-0.3 3,-1.0 1,-0.1 4,-1.0 -0.842 15.7-164.6-134.2 91.1 9.4 15.5 44.7 73 75 A P H >> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.821 85.6 59.1 -54.8 -37.2 9.7 13.6 41.4 74 76 A D H 3> S+ 0 0 104 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.837 101.2 56.5 -61.5 -36.4 6.8 11.2 42.0 75 77 A A H <> S+ 0 0 28 -3,-1.0 4,-0.9 2,-0.2 -1,-0.3 0.855 108.9 47.0 -61.1 -35.1 4.5 14.2 42.2 76 78 A I H XX S+ 0 0 2 -4,-1.0 4,-2.1 -3,-0.6 3,-0.8 0.945 110.3 51.1 -72.9 -47.9 5.7 15.3 38.7 77 79 A R H 3X S+ 0 0 111 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.947 107.7 54.7 -55.5 -35.8 5.2 11.8 37.2 78 80 A A H 3X S+ 0 0 66 -4,-2.7 4,-0.9 1,-0.2 -1,-0.3 0.778 106.4 50.9 -66.6 -28.6 1.7 11.7 38.6 79 81 A Q H << S+ 0 0 29 -4,-0.9 3,-0.3 -3,-0.8 -1,-0.2 0.883 110.6 48.7 -75.4 -37.9 0.9 15.0 36.8 80 82 A I H >< S+ 0 0 19 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.946 107.1 56.3 -66.7 -40.3 2.2 13.5 33.6 81 83 A A H 3< S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.709 102.7 56.4 -67.2 -16.2 0.1 10.4 34.1 82 84 A A T 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.386 82.1 115.2 -91.8 2.3 -3.1 12.4 34.3 83 85 A L < - 0 0 36 -3,-1.9 -3,-0.0 -4,-0.2 -4,-0.0 -0.434 68.8-117.5 -71.6 150.7 -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 -0.348 35.5-100.8 -70.0 163.8 -5.1 13.6 28.2 85 87 A P H > S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.870 121.7 52.8 -56.5 -42.2 -3.7 12.0 25.0 86 88 A E H > S+ 0 0 111 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.970 113.5 43.2 -63.8 -47.0 -3.5 15.3 23.1 87 89 A D H >> S+ 0 0 36 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.883 111.7 53.7 -65.9 -39.2 -1.5 17.0 25.9 88 90 A M H 3X S+ 0 0 50 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.853 99.3 64.2 -64.6 -34.9 0.7 13.9 26.4 89 91 A S H 3X S+ 0 0 8 -4,-1.9 4,-3.1 -3,-0.2 5,-0.3 0.807 94.8 59.6 -53.8 -42.1 1.6 14.0 22.7 90 92 A I H X + 0 0 65 -4,-1.8 4,-1.9 -3,-0.3 3,-1.5 -0.385 69.8 155.0-134.5 60.0 27.9 8.2 13.6 109 111 A P H 3> + 0 0 46 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.683 60.0 76.0 -69.4 -18.6 29.9 9.9 16.3 110 112 A E H 34 S+ 0 0 136 1,-0.2 611,-0.2 2,-0.1 -5,-0.0 0.753 118.2 12.3 -66.3 -28.5 32.9 10.7 14.2 111 113 A T H <4 S+ 0 0 80 -3,-1.5 -1,-0.2 -6,-0.1 610,-0.1 0.528 132.8 44.5-119.6 -21.0 31.0 13.6 12.4 112 114 A L H < S+ 0 0 45 -4,-1.9 -2,-0.1 -7,-0.2 -7,-0.1 0.593 78.8 99.8-107.2 -8.6 27.9 14.1 14.5 113 115 A L S < S- 0 0 7 -4,-1.2 5,-0.1 -5,-0.3 10,-0.0 -0.663 78.9-113.7 -84.6 128.8 28.9 14.1 18.2 114 116 A P >> - 0 0 9 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.348 25.9-122.0 -54.8 131.1 29.2 17.7 19.7 115 117 A K H >> S+ 0 0 82 603,-3.0 4,-2.4 1,-0.2 3,-0.7 0.811 106.1 65.8 -46.2 -40.7 32.8 18.3 20.6 116 118 A Q H 3> S+ 0 0 8 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.869 93.2 61.7 -57.1 -31.0 32.1 19.0 24.3 117 119 A F H <>>S+ 0 0 0 -3,-1.6 5,-1.9 2,-0.2 4,-0.8 0.924 108.4 43.4 -60.7 -40.2 30.9 15.4 24.8 118 120 A N H X<5S+ 0 0 98 -4,-0.8 3,-1.5 -3,-0.7 -2,-0.2 0.994 114.6 51.0 -66.7 -51.4 34.4 14.3 23.9 119 121 A T H 3<5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.825 118.1 36.3 -51.5 -48.9 35.9 17.1 26.0 120 122 A F H 3<5S- 0 0 61 -4,-3.8 -1,-0.3 -5,-0.2 -2,-0.2 0.479 111.1-124.1 -89.2 1.0 33.9 16.1 29.1 121 123 A G T <<5 + 0 0 55 -3,-1.5 2,-0.3 -4,-0.8 -3,-0.2 0.882 69.7 88.7 70.3 48.8 34.1 12.4 28.3 122 124 A F < - 0 0 29 -5,-1.9 -1,-0.2 0, 0.0 -2,-0.1 -0.948 60.5-124.9-164.9 167.2 30.5 11.1 28.2 123 125 A T - 0 0 79 -2,-0.3 2,-0.1 -10,-0.0 -17,-0.0 -0.910 31.5 -90.8-127.8 157.9 27.8 10.6 25.6 124 126 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 -85,-0.0 -0.370 35.5-155.0 -63.1 142.9 24.1 11.6 25.3 125 127 A K - 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0 0 93 -2,-0.2 3,-2.0 1,-0.1 6,-0.3 -0.476 28.4-108.5 -82.0 159.9 31.8 77.8 48.5 519 312 B Q T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.741 116.1 55.8 -60.7 -31.7 33.0 77.0 45.0 520 313 B S T 3 S+ 0 0 90 4,-0.1 -1,-0.3 5,-0.0 3,-0.1 0.474 79.6 107.2 -84.5 1.4 36.4 75.8 46.2 521 314 B D X> - 0 0 28 -3,-2.0 4,-1.3 1,-0.2 3,-0.6 -0.702 66.8-146.0 -79.9 119.7 34.9 73.2 48.5 522 315 B P H >> S+ 0 0 40 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.900 95.4 62.2 -52.2 -40.9 35.5 69.8 46.8 523 316 B R H 3> S+ 0 0 53 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.865 105.9 47.3 -54.8 -38.1 32.2 68.4 48.1 524 317 B R H <> S+ 0 0 59 -3,-0.6 4,-1.8 -6,-0.3 -1,-0.3 0.836 107.5 54.4 -73.9 -35.4 30.4 71.0 46.1 525 318 B Q H < S+ 0 0 12 -4,-2.1 3,-0.6 -3,-0.2 4,-0.4 0.965 110.5 47.7 -57.4 -52.1 29.7 67.4 38.1 530 323 B L H >< S+ 0 0 2 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.877 107.8 56.4 -58.2 -37.4 26.6 65.3 38.9 531 324 B T H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.4 48.5 -67.1 -32.1 24.4 68.3 38.1 532 325 B R T << S+ 0 0 179 -4,-1.5 2,-0.3 -3,-0.6 -1,-0.3 0.432 98.6 86.8 -77.1 -15.5 25.8 68.7 34.6 533 326 B W < - 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0 0 4 -2,-0.3 -14,-0.1 -95,-0.1 -126,-0.1 -0.858 55.7-117.3 -91.0 121.7 18.6 50.1 43.2 597 390 B S > - 0 0 19 -2,-0.5 4,-2.5 -16,-0.4 5,-0.2 -0.103 14.7-114.3 -61.8 156.8 19.7 48.2 46.3 598 391 B V H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.863 118.2 53.2 -54.5 -46.0 17.5 47.4 49.3 599 392 B G H > S+ 0 0 1 -19,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.965 110.0 48.3 -53.6 -51.9 19.7 49.7 51.5 600 393 B A H > S+ 0 0 0 -20,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.864 109.8 51.3 -63.8 -31.4 19.2 52.5 49.0 601 394 B K H X S+ 0 0 13 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.829 112.7 46.1 -72.4 -39.7 15.5 52.0 48.9 602 395 B I H >X S+ 0 0 3 -4,-2.2 4,-1.7 -5,-0.2 3,-0.9 0.966 112.7 50.4 -64.6 -42.7 15.3 52.1 52.6 603 396 B L H 3X S+ 0 0 0 -4,-3.5 4,-2.6 1,-0.3 -2,-0.2 0.850 104.5 58.6 -63.0 -33.1 17.5 55.3 52.7 604 397 B Y H 3X S+ 0 0 42 -4,-2.0 4,-0.5 2,-0.2 -1,-0.3 0.831 104.1 50.5 -67.5 -33.4 15.3 56.9 50.1 605 398 B E H X< S+ 0 0 3 -4,-0.9 3,-1.4 -3,-0.9 4,-0.3 0.975 110.7 50.5 -67.0 -45.2 12.3 56.6 52.4 606 399 B A H >< S+ 0 0 7 -4,-1.7 3,-1.5 1,-0.3 -2,-0.2 0.879 108.0 51.1 -59.5 -43.0 14.4 58.2 55.2 607 400 B V H 3< S+ 0 0 13 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.633 100.8 65.3 -74.5 -8.1 15.5 61.2 53.0 608 401 B Q T X< S- 0 0 69 -3,-1.4 3,-1.7 -4,-0.5 -1,-0.3 0.555 87.2-166.4 -85.1 -10.7 11.8 61.8 52.1 609 402 B G G X - 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0 0 75 -746,-3.2 2,-0.3 1,-0.4 -745,-0.2 0.603 69.5 -5.2-111.9 -20.5 18.7 28.6 3.5 756 549 B S E -A 9 0A 55 -747,-1.2 -747,-2.4 2,-0.0 -1,-0.4 -0.978 56.1-150.9-165.6 166.2 17.9 24.8 3.7 757 550 B Q E -A 8 0A 90 -2,-0.3 2,-0.3 -749,-0.2 -749,-0.2 -0.990 6.3-174.8-146.4 142.8 15.2 22.2 4.0 758 551 B E E -A 7 0A 65 -751,-1.9 -751,-2.8 -2,-0.3 2,-0.4 -0.981 10.0-159.4-141.0 132.9 15.0 18.7 5.5 759 552 B V E -A 6 0A 55 -2,-0.3 2,-0.3 -753,-0.2 -753,-0.2 -0.986 6.1-167.1-119.2 137.6 12.0 16.4 5.2 760 553 B L E -A 5 0A 18 -755,-2.7 -755,-2.2 -2,-0.4 2,-0.5 -0.876 10.7-155.4-117.5 154.0 11.2 13.5 7.5 761 554 B H E +A 4 0A 127 -2,-0.3 2,-0.4 -757,-0.2 -757,-0.3 -0.953 31.1 158.8-129.4 106.9 8.7 10.6 7.1 762 555 B V - 0 0 30 -759,-3.6 2,-0.4 -2,-0.5 -2,-0.0 -0.988 27.3-160.6-136.7 147.1 7.7 9.2 10.4 763 556 B Q 0 0 118 -2,-0.4 -760,-0.1 -739,-0.0 -2,-0.0 -0.989 360.0 360.0-128.6 128.7 4.9 7.1 11.9 764 557 B R 0 0 172 -2,-0.4 -740,-0.0 0, 0.0 -671,-0.0 -0.331 360.0 360.0 -64.1 360.0 4.1 6.9 15.6