==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-01 1JKX . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.GREASLEY,T.H.MARSILJE,H.CAI,S.BAKER,S.J.BENKOVIC, . 840 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 61 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.9 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 0 0 4 4 4 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 0 4 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 . 0 4 2 6 0 0 4 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 . 0 4 0 0 0 4 0 0 0 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 1 A M 0 0 16 0, 0.0 28,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 99.5 39.8 21.5 46.4 2 2 A N E -a 29 0A 3 77,-0.3 79,-3.1 26,-0.2 80,-1.5 -0.808 360.0-167.8 -95.7 122.6 38.4 18.1 45.0 3 3 A I E -ab 30 82A 0 26,-2.9 28,-2.6 -2,-0.6 29,-1.0 -0.891 6.7-168.9-110.4 136.4 35.0 17.1 46.3 4 4 A V E -ab 32 83A 0 78,-1.8 80,-3.0 -2,-0.4 2,-0.4 -0.996 12.6-158.2-123.4 124.2 33.5 13.6 45.8 5 5 A V E -ab 33 84A 0 27,-2.1 29,-2.5 -2,-0.5 2,-0.5 -0.898 4.7-155.4-109.4 134.4 29.8 13.3 46.6 6 6 A L E +ab 34 85A 0 78,-3.1 80,-3.1 -2,-0.4 82,-0.3 -0.919 23.2 167.9-107.4 130.1 28.0 10.1 47.5 7 7 A I E -a 35 0A 0 27,-3.1 29,-0.9 -2,-0.5 30,-0.3 -0.861 31.8-170.6-135.2 169.8 24.3 9.9 46.9 8 8 A S S S- 0 0 15 78,-0.4 80,-0.1 79,-0.4 79,-0.1 0.463 72.7 -4.6-134.5 -15.6 21.4 7.3 46.7 9 9 A G S S+ 0 0 28 77,-0.3 33,-2.5 31,-0.2 34,-0.2 -0.167 110.2 2.9-142.9-127.1 18.5 9.4 45.3 10 10 A N - 0 0 96 31,-0.2 35,-0.2 30,-0.2 77,-0.1 0.834 65.6-146.8 -47.6 -48.7 17.2 12.7 44.2 11 11 A G > + 0 0 10 75,-0.1 4,-2.5 30,-0.1 5,-0.1 0.717 48.0 141.1 86.7 21.5 20.3 14.7 44.7 12 12 A S H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.870 79.5 47.4 -65.5 -32.3 18.9 18.1 45.7 13 13 A N H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 109.6 52.7 -72.6 -42.9 21.7 18.5 48.2 14 14 A L H > S+ 0 0 0 72,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.912 108.9 52.0 -54.4 -43.5 24.3 17.5 45.6 15 15 A Q H X S+ 0 0 48 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.909 105.7 52.0 -61.3 -43.5 22.7 20.2 43.3 16 16 A A H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.860 111.9 48.6 -61.7 -34.2 23.1 22.9 46.0 17 17 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.950 111.2 48.0 -71.0 -48.7 26.8 21.9 46.3 18 18 A I H X S+ 0 0 21 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.931 112.7 50.3 -55.9 -46.7 27.3 21.9 42.5 19 19 A D H X S+ 0 0 80 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.905 109.2 50.2 -59.7 -42.7 25.6 25.3 42.4 20 20 A A H <>S+ 0 0 14 -4,-2.0 6,-2.0 1,-0.2 5,-1.9 0.811 109.2 51.7 -68.5 -29.9 27.8 26.8 45.1 21 21 A C H ><5S+ 0 0 7 -4,-2.0 3,-0.7 3,-0.2 -1,-0.2 0.891 107.5 53.8 -71.7 -37.4 31.0 25.6 43.4 22 22 A K H 3<5S+ 0 0 182 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.876 111.0 43.8 -64.6 -37.3 29.9 27.2 40.2 23 23 A T T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.506 113.5-121.4 -83.0 -5.5 29.4 30.6 42.0 24 24 A N T < 5S+ 0 0 24 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.673 78.8 127.4 70.8 18.8 32.7 30.0 43.8 25 25 A K S - 0 0 108 -30,-0.3 3,-1.4 1,-0.1 -1,-0.1 -0.979 68.2-155.2-129.7 120.5 21.5 3.1 43.1 38 38 A A T 3 S+ 0 0 68 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.809 94.7 53.7 -62.7 -31.7 21.5 3.2 39.3 39 39 A D T 3 S+ 0 0 141 -31,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.396 74.1 132.1 -86.8 4.1 18.2 5.1 39.1 40 40 A A X> - 0 0 4 -3,-1.4 3,-1.4 1,-0.2 4,-0.6 -0.350 53.8-145.6 -58.5 127.1 19.2 7.9 41.4 41 41 A F H 3> S+ 0 0 95 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.756 95.1 74.6 -66.1 -21.0 18.2 11.2 39.7 42 42 A G H 3> S+ 0 0 0 -33,-2.5 4,-2.0 1,-0.3 -1,-0.3 0.818 88.9 58.4 -60.4 -29.3 21.3 12.7 41.3 43 43 A L H <> S+ 0 0 1 -3,-1.4 4,-2.6 -34,-0.2 -1,-0.3 0.878 105.1 49.9 -67.3 -36.0 23.4 10.8 38.7 44 44 A E H X S+ 0 0 65 -4,-0.6 4,-2.7 -3,-0.5 -2,-0.2 0.904 107.1 53.6 -68.5 -40.4 21.5 12.7 36.0 45 45 A R H X S+ 0 0 49 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.920 112.7 45.7 -58.5 -42.1 22.1 16.0 37.7 46 46 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 3,-0.6 0.931 111.0 50.9 -66.8 -46.7 25.8 15.1 37.7 47 47 A R H ><5S+ 0 0 117 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.897 108.7 51.9 -58.9 -41.7 25.8 13.9 34.1 48 48 A Q H 3<5S+ 0 0 143 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.772 108.9 51.3 -66.3 -25.1 24.1 17.2 33.0 49 49 A A T <<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.452 118.8-112.9 -90.0 -1.3 26.8 19.1 34.8 50 50 A G T < 5 + 0 0 44 -3,-1.3 2,-0.4 -4,-0.4 -3,-0.2 0.792 67.0 148.6 75.1 28.7 29.5 17.1 33.0 51 51 A I < - 0 0 24 -5,-2.8 -1,-0.3 -6,-0.1 -19,-0.1 -0.816 53.5-106.6-100.4 134.8 30.6 15.4 36.2 52 52 A A E -c 32 0A 38 -21,-0.7 -19,-2.4 -2,-0.4 2,-0.3 -0.281 39.2-160.5 -58.1 137.3 32.0 11.9 36.3 53 53 A T E -c 33 0A 41 -21,-0.2 2,-0.3 -6,-0.0 -19,-0.2 -0.927 13.7-178.0-125.2 150.1 29.6 9.3 37.7 54 54 A H E -c 34 0A 46 -21,-2.1 -19,-2.0 -2,-0.3 2,-0.4 -0.994 7.8-161.1-144.0 140.7 30.1 5.9 39.1 55 55 A T E -c 35 0A 58 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.993 2.7-169.8-127.1 130.8 27.5 3.4 40.5 56 56 A L - 0 0 9 -21,-2.2 2,-0.4 -2,-0.4 -2,-0.0 -0.967 12.3-157.7-120.9 110.5 28.3 0.4 42.7 57 57 A I > - 0 0 66 -2,-0.5 3,-1.9 1,-0.1 4,-0.2 -0.749 17.3-133.4 -90.5 134.2 25.4 -2.0 43.1 58 58 A A G > S+ 0 0 51 -22,-0.4 3,-2.3 -2,-0.4 5,-0.2 0.857 101.9 62.7 -52.5 -44.2 25.4 -4.2 46.2 59 59 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.599 92.7 66.4 -60.8 -11.3 24.5 -7.4 44.3 60 60 A A G < S+ 0 0 74 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.471 99.0 61.1 -89.0 -1.6 27.8 -7.1 42.4 61 61 A F < - 0 0 37 -3,-2.3 3,-0.1 -4,-0.2 4,-0.0 -0.942 67.6-149.6-126.1 147.1 29.7 -7.7 45.6 62 62 A D S S+ 0 0 165 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.327 81.6 22.6 -97.8 8.5 29.8 -10.7 47.9 63 63 A S S > S- 0 0 48 -5,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.965 72.6-118.2-167.4 152.5 30.6 -8.7 51.1 64 64 A R H > S+ 0 0 89 -2,-0.3 4,-2.2 1,-0.2 29,-0.2 0.849 116.9 56.7 -63.5 -31.2 30.3 -5.3 52.6 65 65 A E H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 106.5 46.7 -66.2 -43.8 34.1 -5.3 52.8 66 66 A A H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.884 110.3 54.7 -65.3 -38.5 34.6 -6.0 49.1 67 67 A Y H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.956 111.3 42.6 -59.9 -52.7 32.1 -3.3 48.3 68 68 A D H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.793 108.5 60.7 -66.8 -26.8 33.9 -0.6 50.3 69 69 A R H X S+ 0 0 181 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.949 110.8 39.7 -64.2 -47.2 37.3 -1.8 49.0 70 70 A E H X S+ 0 0 80 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.886 113.7 55.1 -68.1 -38.8 36.1 -1.0 45.4 71 71 A L H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.931 110.3 45.2 -60.4 -46.3 34.5 2.2 46.5 72 72 A I H X S+ 0 0 26 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 112.6 52.9 -62.2 -43.7 37.7 3.4 48.1 73 73 A H H < S+ 0 0 125 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.921 114.8 39.7 -58.5 -47.3 39.6 2.4 45.1 74 74 A E H >< S+ 0 0 38 -4,-2.8 3,-1.0 2,-0.2 4,-0.4 0.911 114.6 51.4 -72.0 -43.5 37.3 4.3 42.7 75 75 A I H >< S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.2 -2,-0.2 0.930 104.2 58.5 -59.6 -45.7 36.9 7.4 44.9 76 76 A D G >< S+ 0 0 54 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.701 86.3 76.4 -60.0 -19.1 40.7 7.8 45.4 77 77 A M G < S+ 0 0 90 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.787 97.8 48.4 -61.9 -22.8 41.1 8.1 41.6 78 78 A Y G < S- 0 0 21 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.404 104.2-133.8 -96.4 2.5 39.8 11.6 42.1 79 79 A A < - 0 0 36 -3,-1.7 -77,-0.3 -4,-0.2 -3,-0.1 0.938 30.1-153.7 43.3 61.8 42.1 12.4 45.0 80 80 A P - 0 0 4 0, 0.0 -77,-0.2 0, 0.0 3,-0.2 -0.338 25.5-164.4 -67.2 144.3 39.3 13.9 47.1 81 81 A D S S+ 0 0 69 -79,-3.1 2,-0.3 1,-0.4 -78,-0.2 0.598 86.7 16.1 -96.0 -20.1 40.1 16.5 49.7 82 82 A V E -b 3 0A 0 -80,-1.5 -78,-1.8 2,-0.0 2,-0.5 -0.978 66.9-150.8-153.9 137.5 36.6 15.9 51.1 83 83 A V E -bd 4 104A 0 20,-3.4 22,-2.8 -2,-0.3 2,-0.5 -0.968 19.5-158.8-111.9 124.0 34.1 13.1 50.7 84 84 A V E -bd 5 105A 0 -80,-3.0 -78,-3.1 -2,-0.5 2,-0.7 -0.911 10.1-154.4-112.5 119.2 30.5 14.3 51.1 85 85 A L E +bd 6 106A 0 20,-2.7 22,-0.6 -2,-0.5 2,-0.4 -0.811 20.4 173.1 -89.6 117.8 27.6 11.9 51.9 86 86 A A S S- 0 0 5 -80,-3.1 -78,-0.4 -2,-0.7 -77,-0.3 -0.721 77.3 -27.8-129.3 81.4 24.5 13.6 50.6 87 87 A G S S+ 0 0 36 -2,-0.4 2,-0.8 20,-0.3 -79,-0.4 0.740 86.7 160.1 83.7 23.6 21.6 11.2 50.9 88 88 A F - 0 0 2 -82,-0.3 -1,-0.3 -81,-0.2 2,-0.2 -0.726 21.4-167.6 -81.4 114.3 23.8 8.2 50.7 89 89 A M + 0 0 92 -2,-0.8 2,-0.4 -3,-0.1 -1,-0.1 -0.210 52.0 91.2-101.3 43.9 21.7 5.4 52.3 90 90 A R S S- 0 0 21 751,-0.2 2,-0.1 -2,-0.2 -2,-0.0 -0.995 79.1-112.2-138.1 128.4 24.2 2.6 52.8 91 91 A I - 0 0 77 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.344 28.8-139.7 -59.8 133.6 26.3 2.1 55.9 92 92 A L - 0 0 7 1,-0.1 -1,-0.1 -2,-0.1 5,-0.0 -0.837 22.0-117.0 -98.6 133.0 30.0 2.7 55.3 93 93 A S > - 0 0 16 -2,-0.4 4,-2.4 -29,-0.2 3,-0.5 -0.156 22.9-108.6 -66.3 160.2 32.4 0.3 57.0 94 94 A P H > S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.870 120.7 58.2 -57.1 -35.3 34.9 1.2 59.7 95 95 A A H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.891 107.7 46.3 -62.0 -39.0 37.7 0.7 57.1 96 96 A F H > S+ 0 0 0 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.937 112.1 50.1 -68.3 -46.4 36.0 3.3 54.9 97 97 A V H < S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 112.4 47.4 -58.9 -42.3 35.6 5.8 57.7 98 98 A S H >< S+ 0 0 72 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.898 106.4 57.7 -66.4 -41.2 39.2 5.4 58.8 99 99 A H H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 117.2 33.5 -59.4 -34.6 40.5 5.8 55.2 100 100 A Y T >< S+ 0 0 0 -4,-1.5 3,-2.3 -3,-0.1 -1,-0.3 -0.041 85.4 161.0-112.1 30.5 38.8 9.2 55.0 101 101 A A T < S+ 0 0 61 -3,-1.7 39,-0.1 1,-0.3 -3,-0.1 -0.275 71.1 9.6 -55.5 127.5 39.2 10.2 58.6 102 102 A G T 3 S+ 0 0 18 37,-0.4 89,-0.3 2,-0.2 -1,-0.3 0.378 124.3 65.0 84.5 -6.2 38.8 14.0 59.0 103 103 A R S < S+ 0 0 69 -3,-2.3 -20,-3.4 36,-0.2 2,-0.5 0.059 74.1 98.8-135.6 25.1 37.6 14.5 55.4 104 104 A L E -d 83 0A 1 35,-0.2 35,-2.5 -4,-0.2 2,-0.3 -0.973 49.8-174.7-118.1 120.0 34.3 12.6 55.5 105 105 A L E -dE 84 138A 0 -22,-2.8 -20,-2.7 -2,-0.5 2,-0.3 -0.822 4.4-176.5-114.6 153.5 31.1 14.7 55.9 106 106 A N E -dE 85 137A 2 31,-2.0 31,-2.4 -2,-0.3 2,-0.4 -0.973 16.9-144.6-144.1 154.9 27.5 13.7 56.3 107 107 A I E - E 0 136A 11 -22,-0.6 -20,-0.3 -2,-0.3 29,-0.2 -0.993 15.3-168.3-124.4 129.7 24.1 15.4 56.7 108 108 A H E - E 0 135A 5 27,-3.1 27,-3.0 -2,-0.4 2,-2.3 -0.978 22.6-132.3-122.2 124.5 21.4 13.9 58.9 109 109 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.299 77.0 67.9 -75.0 59.0 17.8 15.2 58.8 110 110 A S S S- 0 0 0 -2,-2.3 2,-1.5 22,-0.1 -2,-0.2 -0.973 91.4 -97.0-162.9 163.5 17.2 15.5 62.6 111 111 A L > - 0 0 10 -2,-0.3 3,-1.9 22,-0.1 40,-0.1 -0.699 69.2-112.6 -88.3 84.1 18.3 17.6 65.5 112 112 A L T 3 S+ 0 0 19 -2,-1.5 3,-0.1 1,-0.4 22,-0.0 -0.213 100.1 39.2 -53.7 149.9 20.9 15.2 66.8 113 113 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.985 109.5 80.3 -73.7 3.2 21.2 13.5 69.2 114 114 A K S < S+ 0 0 95 -3,-1.9 6,-0.0 1,-0.2 0, 0.0 -0.470 105.4 1.6 -74.3 144.8 17.5 13.0 68.6 115 115 A Y + 0 0 27 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.1 0.899 69.6 173.7 45.2 60.1 16.3 10.5 65.9 116 116 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.586 59.9 55.2 -70.4 -9.3 19.8 9.3 64.9 117 117 A G S S- 0 0 32 1,-0.2 3,-0.3 2,-0.1 2,-0.1 0.290 98.5 -45.4 -99.1-138.0 18.3 6.6 62.7 118 118 A L S S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 -0.427 105.5 33.3 -95.5 169.8 15.9 6.4 59.8 119 119 A H > + 0 0 112 -2,-0.1 4,-2.1 3,-0.1 -1,-0.2 0.868 64.5 162.1 53.2 46.6 12.5 8.0 59.2 120 120 A T H > S+ 0 0 4 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.896 71.2 48.0 -62.4 -44.8 13.4 11.1 61.1 121 121 A H H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 110.6 52.6 -63.8 -42.8 10.6 13.3 59.6 122 122 A R H > S+ 0 0 104 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.929 111.6 46.5 -57.0 -47.8 8.0 10.5 60.3 123 123 A Q H X S+ 0 0 50 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.863 109.6 53.4 -64.4 -39.6 9.2 10.4 64.0 124 124 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -1,-0.2 0.940 114.3 41.4 -61.7 -48.0 9.1 14.1 64.4 125 125 A L H ><5S+ 0 0 59 -4,-2.3 3,-1.6 3,-0.2 -2,-0.2 0.942 115.3 48.8 -66.0 -50.0 5.6 14.4 63.2 126 126 A E H 3<5S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.7 49.2 -63.1 -30.9 4.2 11.4 65.0 127 127 A N T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 112.2-123.4 -88.0 3.4 5.8 12.4 68.3 128 128 A G T < 5 - 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0 0 64 -2,-0.4 2,-0.4 1,-0.1 -2,-0.1 -0.359 28.0-137.9 -61.6 134.9 57.0 40.0 34.5 302 92 B L - 0 0 7 1,-0.1 -1,-0.1 -2,-0.1 -28,-0.0 -0.813 22.0-115.6 -97.6 136.3 55.6 39.3 37.9 303 93 B S > - 0 0 14 -2,-0.4 4,-2.5 -29,-0.2 3,-0.3 -0.131 25.1-106.6 -65.8 162.3 57.0 41.3 40.9 304 94 B P H > S+ 0 0 72 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.854 121.4 56.9 -58.5 -34.5 59.0 39.7 43.7 305 95 B A H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 107.9 47.0 -64.2 -39.6 56.0 40.2 46.0 306 96 B F H > S+ 0 0 0 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.951 112.6 48.8 -67.1 -48.8 53.8 38.1 43.6 307 97 B V H < S+ 0 0 9 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.925 113.3 47.2 -57.0 -44.7 56.5 35.4 43.4 308 98 B S H >< S+ 0 0 72 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.893 106.7 57.7 -64.6 -40.1 56.8 35.3 47.2 309 99 B H H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 117.6 33.2 -59.0 -36.8 53.1 35.2 47.7 310 100 B Y T >< S+ 0 0 0 -4,-1.7 3,-2.3 -3,-0.2 -1,-0.3 -0.042 86.1 160.9-110.0 29.2 52.8 32.0 45.5 311 101 B A T < S+ 0 0 61 -3,-1.6 39,-0.1 1,-0.3 -3,-0.1 -0.266 70.4 9.4 -55.1 129.2 56.1 30.6 46.5 312 102 B G T 3 S+ 0 0 18 37,-0.4 89,-0.3 2,-0.2 -1,-0.3 0.344 124.5 65.0 83.3 -7.3 56.3 26.8 45.8 313 103 B R S < S+ 0 0 70 -3,-2.3 -20,-3.4 36,-0.1 2,-0.5 0.041 73.7 99.8-135.8 28.1 53.0 26.9 43.8 314 104 B L E -l 293 0C 1 35,-0.2 35,-2.6 -22,-0.2 2,-0.3 -0.974 49.3-174.5-118.9 119.9 53.9 29.0 40.8 315 105 B L E -lM 294 348C 0 -22,-2.8 -20,-2.9 -2,-0.5 2,-0.3 -0.833 5.3-176.5-116.0 151.9 54.7 27.3 37.6 316 106 B N E -lM 295 347C 2 31,-2.1 31,-2.4 -2,-0.3 2,-0.5 -0.978 17.1-145.1-142.8 152.7 55.9 28.6 34.2 317 107 B I E - M 0 346C 13 -22,-0.6 -20,-0.4 -2,-0.3 29,-0.2 -0.991 16.6-165.4-122.9 125.9 56.7 27.1 30.8 318 108 B H E - M 0 345C 3 27,-3.2 27,-3.1 -2,-0.5 2,-2.2 -0.958 22.0-131.8-116.2 126.4 59.5 28.6 28.8 319 109 B P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.219 79.3 65.7 -71.5 48.8 60.1 27.9 25.1 320 110 B S S S- 0 0 0 -2,-2.2 2,-1.5 22,-0.1 -2,-0.2 -0.979 91.4 -98.5-159.4 164.8 63.8 27.1 25.2 321 111 B L > - 0 0 24 -2,-0.3 3,-1.8 20,-0.1 23,-0.1 -0.700 69.0-111.5 -89.9 84.6 66.2 24.5 26.6 322 112 B L T 3 S+ 0 0 16 -2,-1.5 3,-0.1 1,-0.3 22,-0.0 -0.189 100.3 39.1 -52.7 151.0 67.2 26.5 29.7 323 113 B P T 3 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.989 108.6 81.9 -75.1 3.8 69.6 27.8 30.6 324 114 B K S < S+ 0 0 118 -3,-1.8 6,-0.0 1,-0.2 0, 0.0 -0.428 104.8 0.4 -71.2 144.3 69.9 28.8 26.9 325 115 B Y + 0 0 24 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.1 0.915 69.8 177.2 43.6 64.5 67.8 31.8 25.7 326 116 B P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.575 60.5 51.0 -72.5 -7.1 66.2 32.7 29.0 327 117 B G S S- 0 0 29 1,-0.3 3,-0.3 2,-0.1 2,-0.1 0.238 99.1 -41.4-103.8-137.1 64.5 35.7 27.5 328 118 B L S S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 5,-0.1 -0.363 106.4 32.0 -91.3 172.5 62.3 36.6 24.6 329 119 B H > + 0 0 112 -2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.870 65.1 160.4 46.3 50.9 62.4 35.4 20.9 330 120 B T H > S+ 0 0 3 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.897 70.9 48.9 -66.3 -43.1 63.8 32.0 21.8 331 121 B H H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.926 109.2 53.2 -63.2 -45.8 62.7 30.3 18.5 332 122 B R H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 113.3 44.8 -54.2 -46.9 64.2 33.2 16.5 333 123 B Q H X S+ 0 0 48 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.906 107.5 55.6 -66.3 -45.4 67.5 32.7 18.4 334 124 B A H <>S+ 0 0 1 -4,-2.7 5,-2.2 1,-0.2 -1,-0.2 0.900 114.3 41.5 -55.5 -43.2 67.6 28.9 18.2 335 125 B L H ><5S+ 0 0 53 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.932 112.4 52.3 -70.9 -48.5 67.3 29.0 14.4 336 126 B E H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.847 111.3 47.5 -57.7 -36.5 69.7 32.0 13.9 337 127 B N T 3<5S- 0 0 97 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.423 111.7-119.9 -87.1 1.6 72.5 30.3 15.9 338 128 B G T < 5 + 0 0 64 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.938 42.8 179.4 61.7 51.0 72.1 27.0 14.1 339 129 B D < - 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