==== 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 1AI7 . 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) . 28952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 64.6 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 . 121 15.9 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 . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 26.0 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 4 1 2 0 1 3 3 2 1 1 0 2 0 0 0 0 1 1 0 0 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 . 5 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 . 3 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 98 0, 0.0 3,-0.5 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 135.3 0.8 13.3 4.3 2 4 A S T 3 + 0 0 84 1,-0.2 18,-0.2 18,-0.1 19,-0.1 0.633 360.0 54.3 -80.3 -14.1 0.3 12.7 8.0 3 5 A S T 3 S+ 0 0 30 760,-0.1 759,-3.2 16,-0.1 2,-0.4 0.435 88.7 101.4-100.9 -8.4 3.7 11.1 8.4 4 6 A E E < -A 761 0A 61 -3,-0.5 2,-0.5 757,-0.2 16,-0.3 -0.684 43.9-177.8 -85.4 134.3 5.6 14.0 6.9 5 7 A I E -A 760 0A 0 755,-2.6 755,-2.7 -2,-0.4 2,-0.5 -0.980 11.1-161.7-124.1 119.6 7.5 16.7 8.9 6 8 A K E -AB 759 18A 57 12,-2.4 12,-2.0 -2,-0.5 2,-0.6 -0.884 2.3-165.1-103.4 130.3 9.1 19.5 6.8 7 9 A I E -AB 758 17A 2 751,-3.1 751,-1.9 -2,-0.5 2,-0.5 -0.930 6.7-177.6-116.6 110.1 11.9 21.5 8.5 8 10 A V E -AB 757 16A 0 8,-2.1 8,-2.5 -2,-0.6 2,-0.4 -0.912 9.5-158.1-105.3 125.1 12.9 24.8 6.8 9 11 A R E -AB 756 15A 27 747,-1.9 746,-3.5 -2,-0.5 747,-1.2 -0.905 11.5-140.7-101.2 139.9 15.8 26.9 8.3 10 12 A D E > -A 754 0A 0 4,-2.0 3,-2.2 -2,-0.4 744,-0.2 -0.101 40.0 -78.6 -85.5-170.3 16.1 30.6 7.6 11 13 A E T 3 S+ 0 0 69 742,-0.7 743,-0.1 1,-0.3 -1,-0.1 0.793 133.4 47.6 -62.3 -18.7 19.1 32.8 6.9 12 14 A Y T 3 S- 0 0 62 2,-0.1 702,-0.4 701,-0.0 -1,-0.3 0.295 122.2-106.0-102.3 7.3 19.9 32.9 10.7 13 15 A G < + 0 0 2 -3,-2.2 -2,-0.1 1,-0.3 714,-0.1 0.553 66.7 155.1 88.9 4.7 19.5 29.1 11.0 14 16 A M - 0 0 0 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.3 -0.585 38.8-130.4 -74.1 122.7 16.1 29.4 12.8 15 17 A P E -B 9 0A 0 0, 0.0 228,-2.1 0, 0.0 2,-0.4 -0.433 17.3-163.3 -79.3 135.0 14.0 26.3 12.2 16 18 A H E -Bc 8 243A 0 -8,-2.5 -8,-2.1 226,-0.2 2,-0.4 -0.986 11.7-149.4-115.8 128.6 10.4 26.3 11.1 17 19 A I E -Bc 7 244A 0 226,-2.5 228,-3.0 -2,-0.4 2,-0.5 -0.816 10.9-171.5-105.6 128.1 8.3 23.1 11.6 18 20 A Y E +Bc 6 245A 28 -12,-2.0 -12,-2.4 -2,-0.4 2,-0.3 -0.998 26.3 141.1-116.0 119.7 5.5 22.1 9.2 19 21 A A - 0 0 6 226,-1.6 228,-0.4 -2,-0.5 -14,-0.1 -0.952 48.8-132.8-154.2 165.4 3.4 19.1 10.4 20 22 A N S S+ 0 0 111 -16,-0.3 2,-0.3 -2,-0.3 227,-0.2 0.643 82.8 28.5-110.0 -11.6 -0.2 18.0 10.4 21 23 A D S > S- 0 0 57 -19,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.927 83.1-100.3-144.0 170.4 -0.7 16.8 14.0 22 24 A T H > S+ 0 0 9 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.900 114.8 49.3 -54.9 -55.5 0.6 17.4 17.5 23 25 A W H > S+ 0 0 11 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.862 115.0 45.1 -57.8 -38.9 2.9 14.5 17.9 24 26 A H H > S+ 0 0 1 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 111.2 54.9 -70.4 -37.8 4.6 15.2 14.5 25 27 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.969 113.5 37.7 -58.4 -57.1 4.9 18.9 15.2 26 28 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.692 110.2 62.2 -75.5 -13.3 6.7 18.6 18.5 27 29 A Y H X S+ 0 0 22 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.940 105.2 48.4 -70.8 -44.6 8.7 15.7 17.2 28 30 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 110.7 51.3 -54.8 -47.0 10.1 18.2 14.6 29 31 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.959 111.2 45.9 -58.7 -52.0 10.8 20.7 17.4 30 32 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.778 109.3 57.0 -59.0 -37.0 12.7 18.3 19.6 31 33 A Y H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.933 109.5 43.5 -67.3 -42.1 14.7 17.0 16.5 32 34 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.881 111.2 55.3 -73.7 -26.6 16.0 20.5 15.7 33 35 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.901 107.9 49.0 -67.3 -43.1 16.8 21.3 19.3 34 36 A A H X S+ 0 0 2 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.839 112.5 49.9 -62.8 -33.7 18.9 18.1 19.4 35 37 A Q H < S+ 0 0 30 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.926 122.5 29.5 -69.0 -47.3 20.6 19.3 16.3 36 38 A D H < S+ 0 0 11 -4,-2.7 680,-2.6 1,-0.1 681,-0.2 0.812 133.8 18.3 -83.1 -36.2 21.3 22.8 17.6 37 39 A R H X + 0 0 5 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 -0.023 69.4 136.4-137.5 36.3 21.8 22.6 21.3 38 40 A L H X S+ 0 0 6 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 0.860 78.2 43.2 -57.1 -55.4 22.4 19.0 22.4 39 41 A F H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.934 115.5 49.3 -60.2 -44.3 25.2 19.6 24.9 40 42 A Q H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.958 113.3 48.0 -57.4 -43.3 23.5 22.6 26.5 41 43 A M H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.863 110.7 49.9 -66.9 -37.9 20.3 20.5 26.8 42 44 A E H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.865 112.6 47.0 -70.2 -34.9 22.0 17.5 28.3 43 45 A M H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.878 112.0 50.6 -76.6 -30.5 23.8 19.7 30.9 44 46 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.913 108.1 53.5 -70.8 -36.5 20.5 21.5 31.7 45 47 A R H X S+ 0 0 19 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.938 112.1 44.4 -60.3 -42.2 18.8 18.0 32.1 46 48 A R H X>S+ 0 0 12 -4,-2.0 5,-2.5 1,-0.2 4,-1.0 0.825 113.2 52.0 -71.4 -31.0 21.6 17.1 34.6 47 49 A S H <5S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.931 110.1 46.1 -70.7 -44.3 21.3 20.4 36.4 48 50 A T H <5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.679 121.6 37.8 -75.0 -17.4 17.6 20.3 36.9 49 51 A Q H <5S- 0 0 32 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.451 108.9-116.5-112.1 -4.8 17.6 16.7 38.1 50 52 A G T <5S+ 0 0 0 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.902 74.4 125.1 70.5 52.1 20.8 16.8 40.2 51 53 A T < + 0 0 28 -5,-2.5 4,-0.4 -6,-0.1 3,-0.3 -0.008 33.5 110.1-128.1 34.1 22.9 14.3 38.2 52 54 A V >> + 0 0 0 -6,-0.5 4,-2.3 1,-0.2 3,-1.2 0.896 68.6 61.4 -76.2 -38.1 26.0 16.5 37.6 53 55 A A H 3> S+ 0 0 0 7,-0.4 263,-2.8 1,-0.3 4,-2.3 0.774 90.8 69.9 -65.5 -22.2 28.4 14.8 39.8 54 56 A E H 34 S+ 0 0 64 -3,-0.3 -1,-0.3 261,-0.3 -2,-0.2 0.839 117.5 20.4 -64.7 -34.5 28.1 11.5 37.8 55 57 A V H <4 S+ 0 0 19 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.636 136.1 36.6-108.0 -13.4 30.0 13.1 34.9 56 58 A L H < S- 0 0 38 -4,-2.3 3,-0.3 1,-0.2 -3,-0.2 0.583 97.1-141.5-120.3 -9.4 31.8 16.0 36.6 57 59 A G >< - 0 0 8 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 -0.300 45.1 -14.8 100.7-168.9 32.8 14.7 40.0 58 60 A K G > S+ 0 0 168 258,-0.5 3,-1.4 1,-0.3 4,-0.4 0.679 114.5 69.1 -59.6 -30.1 33.1 15.6 43.7 59 61 A D G 3 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.3 4,-0.3 0.707 102.6 49.0 -64.8 -19.4 32.8 19.4 43.4 60 62 A F G <> S+ 0 0 36 -3,-2.1 4,-2.5 1,-0.1 -7,-0.4 0.211 79.1 96.2-103.6 8.4 29.1 18.9 42.4 61 63 A V H <> S+ 0 0 15 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.885 87.7 46.2 -66.8 -41.1 27.8 16.6 45.1 62 64 A K H > S+ 0 0 153 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.938 113.1 51.1 -68.0 -43.3 26.4 19.3 47.4 63 65 A F H > S+ 0 0 40 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.951 110.6 48.8 -54.3 -51.3 24.8 20.9 44.3 64 66 A D H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.934 111.9 48.4 -59.6 -48.1 23.2 17.6 43.3 65 67 A K H X S+ 0 0 43 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.889 110.0 52.0 -60.4 -40.3 21.9 17.0 46.8 66 68 A D H X S+ 0 0 69 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.909 109.5 50.0 -64.4 -40.3 20.4 20.5 47.0 67 69 A I H >< S+ 0 0 23 -4,-2.1 3,-1.0 -5,-0.2 -2,-0.2 0.963 112.0 46.7 -62.9 -47.2 18.6 20.1 43.7 68 70 A R H >< S+ 0 0 21 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.895 107.4 57.8 -68.4 -32.5 17.1 16.7 44.8 69 71 A R H 3< S+ 0 0 109 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.706 99.0 62.8 -59.4 -27.4 16.0 18.2 48.2 70 72 A N T << S+ 0 0 40 -3,-1.0 2,-0.3 -4,-0.9 -1,-0.2 0.278 106.4 30.0 -96.2 11.7 14.0 20.9 46.4 71 73 A Y < - 0 0 19 -3,-1.1 260,-0.0 -4,-0.1 0, 0.0 -0.965 64.4-127.4-157.8 174.2 11.4 18.7 44.6 72 74 A W >> - 0 0 23 -2,-0.3 4,-1.0 1,-0.1 3,-1.0 -0.863 15.2-163.2-130.2 99.2 9.4 15.5 44.6 73 75 A P H >> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-0.7 0.841 86.2 58.3 -55.8 -42.8 9.7 13.4 41.4 74 76 A D H 3> S+ 0 0 106 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.852 101.8 56.2 -56.9 -39.1 6.7 11.2 42.0 75 77 A A H <> S+ 0 0 27 -3,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.832 108.6 47.6 -60.9 -34.3 4.4 14.3 42.2 76 78 A I H XX S+ 0 0 3 -4,-1.0 4,-1.7 -3,-0.7 3,-0.6 0.958 111.0 50.8 -72.4 -43.6 5.7 15.3 38.7 77 79 A R H 3X S+ 0 0 106 -4,-2.4 4,-3.0 1,-0.3 -2,-0.2 0.918 107.3 53.8 -61.7 -38.4 5.2 11.8 37.3 78 80 A A H 3X S+ 0 0 65 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.821 106.5 52.1 -64.7 -31.2 1.6 11.7 38.6 79 81 A Q H << S+ 0 0 28 -4,-1.0 -1,-0.2 -3,-0.6 4,-0.2 0.861 110.5 48.3 -72.6 -32.1 0.9 15.0 36.8 80 82 A I H >< S+ 0 0 18 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.949 106.7 56.8 -74.6 -39.9 2.2 13.5 33.6 81 83 A A H 3< S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 103.7 54.8 -62.5 -22.7 0.1 10.3 34.1 82 84 A A T 3< S+ 0 0 85 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.441 82.2 115.2 -90.0 1.6 -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 -0.431 69.3-115.6 -69.9 154.3 -2.7 14.2 31.0 84 86 A S > - 0 0 52 -2,-0.1 4,-2.7 1,-0.1 3,-0.2 -0.405 34.9-101.5 -74.7 159.6 -5.1 13.6 28.1 85 87 A P H > S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.819 122.0 52.3 -56.7 -36.1 -3.7 12.0 25.0 86 88 A E H > S+ 0 0 108 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.958 113.7 42.9 -68.6 -42.3 -3.5 15.3 23.1 87 89 A D H >> S+ 0 0 37 1,-0.2 4,-1.1 -3,-0.2 3,-0.6 0.878 111.5 54.8 -72.9 -34.1 -1.5 17.0 25.9 88 90 A M H 3X S+ 0 0 52 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.838 99.3 63.4 -65.1 -33.7 0.7 13.9 26.4 89 91 A S H 3X S+ 0 0 8 -4,-1.5 4,-2.8 -5,-0.2 5,-0.3 0.813 95.7 58.3 -60.7 -37.7 1.6 14.1 22.7 90 92 A I H X S+ 0 0 87 -4,-1.7 4,-1.6 1,-0.2 3,-0.8 0.873 113.0 51.9 -59.3 -36.1 21.8 9.1 14.6 105 107 A V H 3< S+ 0 0 0 -4,-2.2 7,-0.2 1,-0.2 -1,-0.2 0.931 108.8 46.9 -67.9 -44.1 24.5 10.9 16.7 106 108 A N T 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.458 114.5 51.2 -76.8 2.0 25.4 7.8 18.8 107 109 A T T <4 S+ 0 0 105 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.646 121.9 27.6-105.8 -26.7 25.6 5.9 15.5 108 110 A N S >X S+ 0 0 67 -4,-1.6 4,-2.1 -3,-0.2 3,-1.6 -0.340 71.2 151.7-127.5 58.1 27.8 8.3 13.7 109 111 A P H 3> + 0 0 43 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.794 60.3 75.1 -65.5 -27.1 29.9 10.0 16.4 110 112 A E H 34 S+ 0 0 132 1,-0.2 611,-0.2 2,-0.2 -5,-0.0 0.767 118.9 12.3 -56.2 -31.9 32.9 10.7 14.2 111 113 A T H <4 S+ 0 0 81 -3,-1.6 -1,-0.2 -6,-0.1 610,-0.1 0.560 133.5 42.5-116.8 -24.6 31.0 13.5 12.5 112 114 A L H < S+ 0 0 48 -4,-2.1 -2,-0.2 -7,-0.2 -7,-0.1 0.677 79.1 101.0-104.0 -15.2 27.9 14.2 14.5 113 115 A L S < S- 0 0 5 -4,-1.5 5,-0.1 -5,-0.3 10,-0.0 -0.599 79.5-112.7 -78.6 123.7 28.8 14.1 18.2 114 116 A P >> - 0 0 9 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.229 23.8-122.4 -49.4 134.0 29.2 17.7 19.6 115 117 A K H >> S+ 0 0 81 603,-3.3 4,-2.3 1,-0.3 3,-1.1 0.822 106.4 69.6 -47.4 -42.2 32.8 18.3 20.5 116 118 A Q H 3> S+ 0 0 10 1,-0.3 4,-2.8 602,-0.2 -1,-0.3 0.766 91.2 59.4 -47.2 -40.3 31.9 19.1 24.1 117 119 A F H <>>S+ 0 0 0 -3,-2.2 5,-2.2 2,-0.2 4,-1.0 0.867 107.3 44.8 -62.9 -40.8 31.0 15.4 24.8 118 120 A N H X<5S+ 0 0 96 -3,-1.1 3,-1.0 -4,-0.7 -2,-0.2 0.972 112.2 53.4 -67.3 -42.9 34.4 14.2 24.0 119 121 A T H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.884 117.1 36.2 -54.0 -47.8 35.9 17.0 26.0 120 122 A F H 3<5S- 0 0 59 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.547 111.4-123.3 -89.8 -3.1 33.9 16.1 29.1 121 123 A G T <<5S+ 0 0 53 -4,-1.0 2,-0.3 -3,-1.0 -3,-0.2 0.887 70.6 90.8 75.8 44.5 34.1 12.4 28.4 122 124 A F < - 0 0 28 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.947 59.2-129.3-161.8 165.3 30.5 11.2 28.2 123 125 A T - 0 0 68 -2,-0.3 2,-0.1 -3,-0.1 -17,-0.0 -0.906 32.8 -88.9-124.1 160.8 27.8 10.6 25.6 124 126 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -85,-0.0 -0.319 34.7-151.2 -69.5 145.3 24.1 11.6 25.4 125 127 A K - 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0 0 1 1,-0.2 -1,-0.2 20,-0.1 -263,-0.1 -0.331 65.5 -56.8 -86.1 179.0 8.0 46.7 40.0 450 243 B S B -j 186 0B 5 -265,-0.7 -263,-2.5 1,-0.1 -262,-0.3 -0.323 37.2-145.9 -66.9 134.9 4.6 46.3 41.7 451 244 B P S S- 0 0 0 0, 0.0 -263,-2.9 0, 0.0 2,-0.3 0.927 74.7 -9.1 -62.8 -43.4 1.6 45.2 39.6 452 245 B Q S > S- 0 0 7 -265,-0.2 3,-2.2 -266,-0.2 -258,-0.1 -0.992 84.8 -68.7-157.3 157.9 -0.8 47.3 41.6 453 246 B K T 3 S+ 0 0 67 -260,-0.5 -258,-2.3 -265,-0.5 -270,-0.0 -0.188 116.5 8.1 -52.7 128.0 -1.6 49.6 44.6 454 247 B D T 3 S+ 0 0 29 1,-0.3 -1,-0.3 -273,-0.2 -260,-0.1 0.513 88.4 140.0 78.3 8.8 -1.5 47.6 47.8 455 248 B Y < - 0 0 10 -3,-2.2 -1,-0.3 -274,-0.1 -274,-0.2 -0.638 49.9-130.2 -85.6 125.7 -0.2 44.3 46.3 456 249 B P - 0 0 13 0, 0.0 -176,-0.4 0, 0.0 2,-0.2 -0.460 19.3-136.9 -77.4 144.5 2.4 42.7 48.6 457 250 B A - 0 0 14 -278,-0.8 -178,-0.2 1,-0.2 -177,-0.1 -0.544 39.6 -62.9 -98.4 169.4 5.7 41.6 47.2 458 251 B S - 0 0 2 -180,-2.1 -1,-0.2 -179,-0.2 -178,-0.2 -0.147 49.0-118.2 -39.2 158.4 7.8 38.5 47.8 459 252 B D + 0 0 1 -312,-0.3 -1,-0.1 -177,-0.2 -311,-0.1 0.463 69.0 134.1 -87.5 3.8 8.9 38.0 51.4 460 253 B L > - 0 0 44 -313,-0.2 3,-2.6 1,-0.1 -310,-0.0 -0.329 57.1-140.3 -54.3 128.0 12.6 38.2 50.4 461 254 B F T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -2,-0.1 -48,-0.0 0.864 103.3 51.2 -65.0 -29.2 14.4 40.5 52.8 462 255 B A T 3 S+ 0 0 57 -285,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.313 98.0 82.6 -84.5 4.1 16.4 41.9 49.9 463 256 B F < + 0 0 29 -3,-2.6 2,-0.4 -5,-0.1 -6,-0.1 -0.954 52.6 158.9-118.4 126.6 13.3 42.6 47.7 464 257 B L - 0 0 5 -2,-0.5 2,-0.6 -287,-0.0 -285,-0.1 -0.995 34.2-151.1-143.0 150.3 11.1 45.7 48.1 465 258 B W + 0 0 10 -2,-0.4 -281,-0.3 -16,-0.1 2,-0.2 -0.978 47.4 142.2-116.7 102.3 8.6 47.8 46.1 466 259 B G - 0 0 0 -2,-0.6 -16,-0.1 2,-0.4 136,-0.1 -0.734 68.2 -73.2-128.7-167.5 9.1 51.3 47.4 467 260 B G S S+ 0 0 14 -2,-0.2 2,-0.7 -283,-0.2 134,-0.0 0.778 117.3 67.4 -64.6 -28.0 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 -0.877 68.7 150.6 -94.9 113.4 12.5 54.4 44.5 469 262 B D > - 0 0 4 -2,-0.7 3,-1.6 -4,-0.1 4,-0.3 -0.996 49.9-132.6-145.5 135.1 11.9 51.9 41.6 470 263 B R T >> S+ 0 0 6 -2,-0.3 3,-1.7 1,-0.3 4,-0.5 0.780 96.7 78.0 -65.8 -17.7 13.8 51.5 38.3 471 264 B V H >> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 3,-1.4 0.831 78.4 73.4 -57.6 -29.2 10.5 51.3 36.3 472 265 B T H <> S+ 0 0 33 -3,-1.6 4,-2.6 1,-0.3 -1,-0.3 0.817 87.7 63.0 -54.1 -27.8 10.2 55.1 36.6 473 266 B E H <> S+ 0 0 5 -3,-1.7 4,-0.9 -4,-0.3 -1,-0.3 0.836 106.9 42.2 -65.8 -32.1 13.1 55.3 34.1 474 267 B I H < S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.800 114.1 48.5 -76.1 -27.3 7.1 56.8 27.4 479 272 B E H 3< S+ 0 0 135 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.664 96.1 75.1 -82.7 -13.3 5.5 59.9 28.9 480 273 B Q T 3< S+ 0 0 131 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.726 97.4 43.7 -66.9 -30.9 7.9 62.2 27.1 481 274 B K S < S- 0 0 86 -3,-0.6 3,-0.1 -4,-0.4 -1,-0.1 -0.976 73.7-138.3-121.2 138.8 6.4 61.8 23.7 482 275 B P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.933 92.2 10.3 -58.2 -49.1 2.7 61.9 22.8 483 276 B R S S- 0 0 109 -3,-0.1 2,-0.4 -270,-0.0 -265,-0.2 -0.942 70.8-151.0-130.7 157.4 3.2 59.0 20.4 484 277 B L B -p 218 0D 3 -267,-2.1 -265,-2.8 -2,-0.3 2,-0.2 -0.959 6.4-143.4-126.5 145.7 6.0 56.6 19.6 485 278 B T > - 0 0 34 -2,-0.4 4,-2.5 -267,-0.2 5,-0.2 -0.515 37.6-100.7 -91.5 172.7 7.1 54.8 16.4 486 279 B A H > S+ 0 0 22 -267,-0.4 4,-2.4 2,-0.2 5,-0.2 0.921 124.3 53.4 -56.5 -50.1 8.6 51.2 16.4 487 280 B D H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 111.0 45.6 -58.1 -40.8 12.1 52.7 16.0 488 281 B Q H > S+ 0 0 63 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.897 110.8 52.5 -70.2 -32.3 11.6 54.9 19.0 489 282 B A H < S+ 0 0 0 -4,-2.5 4,-0.3 2,-0.2 3,-0.3 0.870 111.4 48.5 -67.2 -38.0 10.1 52.1 21.1 490 283 B W H >X S+ 0 0 16 -4,-2.4 3,-2.3 1,-0.2 4,-0.6 0.916 103.4 61.1 -68.3 -39.7 13.2 50.1 20.2 491 284 B D H 3X S+ 0 0 50 -4,-2.4 4,-1.9 1,-0.3 3,-0.5 0.788 86.4 74.2 -60.0 -20.8 15.5 53.0 21.1 492 285 B V H 3X S+ 0 0 3 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.3 0.792 89.1 62.5 -62.3 -27.4 14.2 52.8 24.8 493 286 B I H <> S+ 0 0 2 -3,-2.3 4,-2.0 -4,-0.3 -1,-0.3 0.938 104.4 45.4 -61.3 -48.7 16.3 49.7 25.0 494 287 B R H X S+ 0 0 89 -4,-0.6 4,-0.6 -3,-0.5 -2,-0.2 0.920 114.9 46.4 -65.3 -43.5 19.5 51.7 24.4 495 288 B Q H >X S+ 0 0 55 -4,-1.9 3,-1.5 1,-0.2 4,-0.6 0.970 115.9 43.1 -61.8 -52.7 18.6 54.6 26.8 496 289 B T H >< S+ 0 0 3 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.808 107.7 62.5 -65.5 -30.8 17.5 52.4 29.7 497 290 B S H 3< S+ 0 0 5 -4,-2.0 188,-2.5 -5,-0.2 -1,-0.3 0.621 112.3 35.7 -56.3 -37.2 20.5 50.1 29.1 498 291 B R H << S+ 0 0 53 -3,-1.5 39,-3.0 -4,-0.6 2,-0.3 0.360 90.7 116.3-101.1 1.9 22.9 52.9 29.9 499 292 B Q B << -Y 536 0J 19 -4,-0.6 2,-0.3 -3,-0.6 37,-0.2 -0.532 62.3-132.2 -87.2 126.0 21.1 54.8 32.6 500 293 B D - 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0 0 74 -746,-3.5 2,-0.3 1,-0.4 -745,-0.2 0.687 69.7 -4.8-108.3 -20.4 18.6 28.6 3.5 756 549 B S E -A 9 0A 55 -747,-1.2 -747,-1.9 2,-0.0 -1,-0.4 -0.977 56.2-150.8-162.8 167.9 17.9 24.8 3.8 757 550 B Q E -A 8 0A 91 -2,-0.3 2,-0.4 -749,-0.2 -749,-0.2 -0.996 6.2-174.9-148.2 140.8 15.2 22.2 4.0 758 551 B E E -A 7 0A 62 -751,-1.9 -751,-3.1 -2,-0.3 2,-0.4 -0.987 10.2-158.6-141.9 128.3 15.0 18.7 5.5 759 552 B V E -A 6 0A 56 -2,-0.4 2,-0.4 -753,-0.2 -753,-0.2 -0.936 7.3-169.1-112.9 135.2 12.0 16.4 5.1 760 553 B L E -A 5 0A 19 -755,-2.7 -755,-2.6 -2,-0.4 2,-0.5 -0.938 11.0-158.9-118.9 147.8 11.2 13.5 7.5 761 554 B H E +A 4 0A 124 -2,-0.4 2,-0.4 -757,-0.2 -757,-0.2 -0.983 30.3 156.8-123.3 113.3 8.7 10.7 7.1 762 555 B V - 0 0 29 -759,-3.2 2,-0.4 -2,-0.5 -2,-0.0 -1.000 26.9-157.7-137.4 144.2 7.8 9.1 10.5 763 556 B Q 0 0 113 -2,-0.4 -760,-0.1 -739,-0.0 -2,-0.0 -0.968 360.0 360.0-131.9 141.4 5.0 7.2 12.0 764 557 B R 0 0 176 -2,-0.4 -740,-0.0 0, 0.0 -671,-0.0 -0.506 360.0 360.0 -67.1 360.0 4.2 6.9 15.6