==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE(FORMYL) 15-MAY-92 1CDE . COMPND 2 MOLECULE: PHOSPHORIBOSYL-GLYCINAMIDE FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.J.ALMASSY,C.A.JANSON,C.-C.KAN,Z.HOSTOMSKA . 840 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 70.4 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 . 88 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 76 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 25.7 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 0 8 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 66 0, 0.0 28,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 125.8 -2.9 12.3 -8.0 2 2 A N E -a 29 0A 41 77,-0.3 79,-4.1 26,-0.2 80,-1.4 -0.849 360.0-176.6 -93.9 120.4 -4.6 11.3 -4.7 3 3 A I E -ab 30 82A 0 26,-2.4 28,-2.1 -2,-0.6 29,-0.7 -0.904 5.4-168.8-110.1 130.0 -3.2 8.5 -2.8 4 4 A V E -ab 32 83A 0 78,-1.7 80,-3.3 -2,-0.4 2,-0.5 -0.958 10.7-154.9-118.1 139.9 -4.8 7.2 0.5 5 5 A V E -ab 33 84A 0 27,-1.9 29,-2.4 -2,-0.4 2,-0.5 -0.945 4.6-150.6-116.6 132.9 -2.9 4.7 2.6 6 6 A L E +ab 34 85A 0 78,-2.5 80,-2.3 -2,-0.5 2,-0.3 -0.884 22.6 174.0 -97.5 122.1 -4.3 2.2 5.1 7 7 A I E -a 35 0A 0 27,-2.8 29,-1.0 -2,-0.5 30,-0.3 -0.866 29.5-171.7-122.4 159.7 -2.2 1.2 8.1 8 8 A S S S- 0 0 12 79,-0.5 80,-0.1 78,-0.3 31,-0.1 0.494 74.2 -10.0-120.2 -1.5 -2.5 -1.0 11.2 9 9 A G S S+ 0 0 30 31,-0.2 33,-2.8 78,-0.1 34,-0.3 -0.077 109.3 8.5-157.9-117.1 0.8 -0.1 13.0 10 10 A N - 0 0 100 31,-0.2 35,-0.2 30,-0.1 77,-0.1 0.836 64.6-144.2 -69.5 -34.5 4.2 1.6 12.9 11 11 A G > + 0 0 8 75,-0.2 4,-2.4 30,-0.1 5,-0.1 0.691 51.0 136.9 82.0 27.4 4.0 3.4 9.6 12 12 A S H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 79.3 46.3 -73.1 -37.0 7.6 3.2 8.3 13 13 A N H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 112.0 52.6 -65.6 -39.9 6.4 2.3 4.7 14 14 A L H > S+ 0 0 1 72,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.946 106.2 54.7 -53.6 -52.2 3.9 5.2 4.9 15 15 A Q H X S+ 0 0 49 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.916 106.2 50.3 -54.4 -43.0 6.7 7.5 5.9 16 16 A A H X S+ 0 0 17 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.904 109.9 50.2 -63.2 -41.2 8.7 6.6 2.8 17 17 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 3,-0.3 0.986 111.1 49.9 -61.0 -47.9 5.6 7.3 0.6 18 18 A I H X S+ 0 0 15 -4,-2.9 4,-2.9 1,-0.2 3,-0.3 0.934 111.9 47.9 -56.5 -51.8 5.2 10.7 2.3 19 19 A D H X S+ 0 0 67 -4,-2.7 4,-1.6 1,-0.2 6,-0.3 0.859 111.4 49.1 -59.3 -33.3 8.9 11.6 1.8 20 20 A A H <>S+ 0 0 11 -4,-1.9 5,-2.2 -3,-0.3 6,-1.9 0.873 111.9 49.1 -73.6 -36.3 8.9 10.6 -1.9 21 21 A C H ><5S+ 0 0 18 -4,-2.1 3,-1.9 -3,-0.3 -2,-0.2 0.960 109.2 54.1 -63.7 -49.1 5.7 12.6 -2.5 22 22 A K H 3<5S+ 0 0 136 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.855 112.7 41.7 -56.1 -35.5 7.3 15.6 -0.7 23 23 A T T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.437 113.6-117.9 -99.4 12.2 10.4 15.4 -3.0 24 24 A N T < 5S+ 0 0 90 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.635 79.9 127.0 59.2 25.1 8.3 14.8 -6.0 25 25 A K S S- 0 0 98 -30,-0.3 3,-1.5 1,-0.1 -1,-0.1 -0.972 70.3-153.2-130.6 120.5 -6.0 0.5 15.3 38 38 A A T 3 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 17,-0.0 0.781 95.9 51.5 -73.6 -20.6 -6.3 3.5 17.5 39 39 A D T 3 S+ 0 0 138 -31,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.311 74.9 138.3 -93.5 13.9 -2.8 3.2 18.8 40 40 A A X> - 0 0 6 -3,-1.5 3,-1.2 1,-0.2 4,-0.6 -0.398 46.9-149.9 -67.3 123.0 -1.1 3.0 15.4 41 41 A F H >> S+ 0 0 106 1,-0.2 4,-1.6 -2,-0.2 3,-1.3 0.878 91.2 72.9 -62.5 -25.9 2.1 5.1 15.4 42 42 A G H 3> S+ 0 0 0 -33,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.832 88.5 61.8 -55.3 -29.7 1.7 5.7 11.6 43 43 A L H <> S+ 0 0 3 -3,-1.2 4,-2.6 -34,-0.3 -1,-0.3 0.903 102.3 50.0 -65.7 -38.1 -1.2 8.1 12.5 44 44 A E H S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -2,-0.2 0.954 113.2 50.9 -59.3 -48.1 0.6 11.4 9.2 47 47 A R H ><5S+ 0 0 120 -4,-2.6 3,-2.1 1,-0.2 -2,-0.2 0.945 107.3 50.4 -58.8 -53.1 -0.4 13.9 11.7 48 48 A Q H 3<5S+ 0 0 145 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.893 111.5 50.9 -57.8 -30.4 3.0 15.5 12.0 49 49 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.386 119.2-111.7 -87.0 4.4 3.1 15.7 8.2 50 50 A G T < 5 + 0 0 69 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.736 68.5 141.7 74.7 22.6 -0.3 17.4 8.1 51 51 A I < - 0 0 25 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.638 58.6 -96.7 -92.5 148.7 -2.3 14.6 6.5 52 52 A A E -c 32 0A 36 -21,-1.1 -19,-2.9 -2,-0.3 2,-0.3 -0.564 38.9-150.5 -65.8 130.1 -5.8 13.7 7.5 53 53 A T E +c 33 0A 43 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.695 16.0 178.7-104.3 135.7 -6.1 10.9 10.0 54 54 A H E -c 34 0A 45 -21,-2.0 -19,-2.5 -2,-0.3 2,-0.5 -0.866 10.1-166.2-143.5 119.8 -9.0 8.4 10.5 55 55 A T E -c 35 0A 58 -2,-0.3 2,-0.5 -21,-0.2 -19,-0.2 -0.838 5.9-176.6-101.4 128.3 -9.4 5.5 12.9 56 56 A L - 0 0 21 -21,-2.6 2,-0.4 -2,-0.5 15,-0.0 -0.813 10.4-159.3-131.3 90.9 -12.2 3.1 12.2 57 57 A I > - 0 0 65 -2,-0.5 3,-0.7 1,-0.1 4,-0.2 -0.558 8.1-152.7 -69.2 120.1 -12.5 0.4 14.9 58 58 A A G > S+ 0 0 38 -2,-0.4 3,-1.3 -22,-0.3 4,-0.3 0.617 84.2 81.8 -77.5 -8.4 -14.3 -2.8 13.7 59 59 A S G > S+ 0 0 111 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.971 92.5 55.4 -49.4 -47.1 -15.6 -3.8 17.2 60 60 A A G < S+ 0 0 77 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.529 95.9 67.7 -57.2 -19.8 -18.3 -1.2 16.4 61 61 A F G < S- 0 0 49 -3,-1.3 2,-0.8 -4,-0.2 -1,-0.2 0.522 71.3-151.4 -98.1 -4.7 -19.5 -2.8 13.1 62 62 A D S < S+ 0 0 163 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.1 0.242 76.1 45.1 57.1 -14.5 -21.3 -6.2 13.7 63 63 A S S > S- 0 0 46 -2,-0.8 4,-2.3 -5,-0.1 5,-0.2 -0.977 71.2-132.4-159.3 144.3 -20.3 -7.5 10.2 64 64 A R H > S+ 0 0 90 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.968 112.2 49.2 -62.6 -44.7 -17.3 -7.7 7.8 65 65 A E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 111.7 52.4 -62.3 -34.8 -19.3 -6.4 4.9 66 66 A A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 106.3 49.3 -70.1 -44.7 -20.5 -3.6 7.0 67 67 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.953 110.6 53.1 -61.4 -45.5 -17.2 -2.4 8.2 68 68 A D H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.855 103.9 55.1 -63.8 -32.0 -16.0 -2.3 4.7 69 69 A R H X S+ 0 0 127 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.932 108.9 46.6 -72.2 -35.1 -18.9 -0.2 3.4 70 70 A E H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.959 112.7 51.3 -63.3 -40.3 -18.2 2.5 6.0 71 71 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.954 110.4 47.9 -62.6 -48.6 -14.5 2.3 5.0 72 72 A I H X S+ 0 0 9 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.957 110.8 54.0 -53.9 -46.8 -15.4 2.7 1.3 73 73 A H H < S+ 0 0 79 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.879 113.2 40.4 -54.6 -47.6 -17.7 5.6 2.2 74 74 A E H < S+ 0 0 49 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.764 112.3 54.1 -71.8 -32.8 -14.9 7.5 4.1 75 75 A I H >< S+ 0 0 0 -4,-2.0 3,-2.4 -3,-0.3 4,-0.3 0.949 101.5 59.5 -69.6 -45.2 -12.1 6.8 1.6 76 76 A D G >< S+ 0 0 60 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.703 86.9 73.7 -65.2 -14.0 -14.0 8.1 -1.3 77 77 A M G 3 S+ 0 0 126 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.813 100.2 48.4 -60.0 -27.7 -14.4 11.6 0.4 78 78 A Y G < S- 0 0 45 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.534 107.3-134.2 -92.8 0.8 -10.7 12.0 -0.6 79 79 A A < - 0 0 60 -3,-1.1 -77,-0.3 -4,-0.3 -3,-0.1 0.961 26.9-150.8 43.1 67.8 -11.3 10.8 -4.1 80 80 A P - 0 0 7 0, 0.0 -77,-0.2 0, 0.0 3,-0.2 -0.376 24.8-167.7 -73.0 136.2 -8.4 8.4 -4.3 81 81 A D S S+ 0 0 74 -79,-4.1 2,-0.3 1,-0.4 -78,-0.2 0.718 87.7 8.6 -83.3 -29.4 -6.6 7.6 -7.5 82 82 A V E -b 3 0A 0 -80,-1.4 -78,-1.7 2,-0.0 2,-0.5 -0.969 70.0-152.3-144.2 134.8 -4.8 4.7 -5.9 83 83 A V E -bd 4 104A 0 20,-3.1 22,-1.8 -2,-0.3 2,-0.6 -0.944 18.3-156.4-110.6 132.1 -5.4 3.2 -2.4 84 84 A V E -bd 5 105A 0 -80,-3.3 -78,-2.5 -2,-0.5 2,-0.5 -0.930 12.0-148.6-118.7 122.0 -2.4 1.6 -0.8 85 85 A L E +bd 6 106A 0 20,-2.9 22,-0.7 -2,-0.6 2,-0.2 -0.674 22.5 170.3 -75.7 119.3 -2.2 -1.0 1.8 86 86 A A S S- 0 0 8 -80,-2.3 -78,-0.3 -2,-0.5 -72,-0.2 -0.530 78.4 -23.1-138.3 82.7 0.9 -0.6 3.9 87 87 A G S S+ 0 0 34 20,-0.3 2,-0.8 1,-0.2 -79,-0.5 0.696 86.3 160.3 88.4 27.1 0.8 -2.8 7.0 88 88 A F - 0 0 3 -82,-0.3 2,-1.3 -81,-0.2 -1,-0.2 -0.683 28.0-155.7 -89.4 110.5 -3.0 -3.2 7.0 89 89 A M + 0 0 100 -2,-0.8 2,-0.3 752,-0.1 -1,-0.1 -0.314 55.3 86.2 -82.9 60.6 -4.0 -6.3 9.0 90 90 A R S S- 0 0 40 -2,-1.3 2,-0.2 2,-0.0 -2,-0.1 -0.977 73.0-117.8-152.8 140.6 -7.5 -7.3 7.7 91 91 A I - 0 0 58 -2,-0.3 2,-0.5 52,-0.0 -2,-0.0 -0.578 35.1-138.7 -76.5 134.7 -8.9 -9.3 4.9 92 92 A L - 0 0 6 -2,-0.2 -27,-0.1 49,-0.1 -28,-0.0 -0.845 19.6-116.4 -98.0 139.1 -10.9 -7.0 2.7 93 93 A S >> - 0 0 3 -2,-0.5 4,-2.1 -29,-0.2 3,-1.0 -0.360 27.1-100.8 -74.9 155.9 -14.1 -8.3 1.4 94 94 A P H 3> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.705 121.3 55.6 -43.7 -30.5 -15.0 -8.9 -2.3 95 95 A A H 3> S+ 0 0 64 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.927 108.2 45.4 -73.9 -44.8 -16.9 -5.7 -2.4 96 96 A F H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 3,-0.2 0.974 116.9 45.5 -61.2 -51.6 -14.0 -3.6 -1.3 97 97 A V H < S+ 0 0 10 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.945 113.0 51.2 -62.6 -41.3 -11.6 -5.3 -3.6 98 98 A S H >< S+ 0 0 85 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.896 109.8 51.2 -63.4 -29.2 -14.2 -5.0 -6.4 99 99 A H H 3< S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.880 116.4 36.6 -79.6 -42.9 -14.6 -1.3 -5.8 100 100 A Y T >< S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.1 4,-0.4 0.126 84.4 157.4 -96.0 24.2 -11.0 -0.4 -5.9 101 101 A A T < S+ 0 0 67 -3,-0.7 -3,-0.1 1,-0.3 39,-0.1 -0.160 70.1 10.6 -49.0 115.4 -10.3 -2.9 -8.6 102 102 A G T 3 S+ 0 0 23 37,-0.3 89,-0.3 2,-0.2 -1,-0.3 0.265 125.2 61.8 100.6 -18.7 -7.1 -1.9 -10.5 103 103 A R S < S+ 0 0 71 -3,-2.5 -20,-3.1 36,-0.1 2,-0.5 0.071 75.9 101.5-130.6 21.5 -6.1 0.8 -8.0 104 104 A L E +d 83 0A 1 -4,-0.4 35,-1.9 35,-0.2 2,-0.3 -0.957 48.6 179.3-112.8 122.0 -5.6 -1.3 -4.9 105 105 A L E -dE 84 138A 0 -22,-1.8 -20,-2.9 -2,-0.5 2,-0.3 -0.926 6.7-176.0-124.0 145.5 -2.0 -2.1 -4.0 106 106 A N E -dE 85 137A 6 31,-2.5 31,-2.8 -2,-0.3 2,-0.6 -0.992 20.5-141.1-142.6 151.5 -0.2 -4.1 -1.2 107 107 A I E - E 0 136A 14 -22,-0.7 -20,-0.3 -2,-0.3 29,-0.2 -0.941 20.7-172.6-111.6 120.9 3.2 -5.0 0.0 108 108 A H E - E 0 135A 8 27,-3.0 27,-2.6 -2,-0.6 2,-2.3 -0.948 25.3-128.9-111.7 127.2 3.7 -8.5 1.4 109 109 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.254 77.4 69.3 -81.5 61.7 7.0 -9.6 3.1 110 110 A S S S- 0 0 0 -2,-2.3 2,-2.1 22,-0.1 -2,-0.1 -0.977 91.0 -97.1-162.1 157.2 7.8 -12.8 1.2 111 111 A L S > S- 0 0 24 -2,-0.3 3,-1.8 22,-0.1 24,-0.1 -0.513 70.4-104.5 -84.9 82.9 9.0 -13.8 -2.3 112 112 A L T 3 S+ 0 0 9 -2,-2.1 22,-0.1 1,-0.4 33,-0.0 -0.156 101.9 30.1 -48.5 135.8 5.6 -14.7 -3.6 113 113 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.977 110.9 78.9 -83.7 3.2 4.2 -17.2 -4.2 114 114 A K S < S+ 0 0 122 -3,-1.8 -2,-0.2 1,-0.2 -4,-0.0 0.738 103.8 10.6 -51.6 -60.9 6.2 -18.5 -1.3 115 115 A Y + 0 0 19 1,-0.1 2,-0.9 2,-0.1 -1,-0.2 -0.561 67.6 174.2-123.9 76.9 4.8 -17.5 2.1 116 116 A P + 0 0 63 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.123 57.2 43.8 -75.6 28.4 1.4 -16.0 1.3 117 117 A G S S- 0 0 31 -2,-0.9 3,-0.4 1,-0.2 2,-0.2 -0.307 98.4 -47.3-137.9-138.5 0.1 -15.5 4.9 118 118 A L S S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.557 109.2 37.0 -98.9 171.1 1.3 -14.2 8.3 119 119 A H > + 0 0 99 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 0.562 66.4 151.3 63.0 14.9 4.6 -15.1 10.0 120 120 A T H > + 0 0 5 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.720 68.0 53.6 -47.9 -37.8 6.6 -15.2 6.7 121 121 A H H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.984 109.6 48.3 -65.0 -46.8 9.9 -14.2 8.3 122 122 A R H > S+ 0 0 95 -3,-0.4 4,-3.0 1,-0.2 5,-0.3 0.917 110.8 52.2 -59.4 -47.7 9.6 -17.0 10.8 123 123 A Q H X S+ 0 0 61 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.943 110.0 48.4 -50.9 -47.4 8.8 -19.4 8.0 124 124 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.2 0.966 114.5 45.7 -57.1 -49.3 11.9 -18.3 6.1 125 125 A L H ><5S+ 0 0 51 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.972 114.9 46.4 -59.5 -49.3 14.1 -18.7 9.1 126 126 A E H 3<5S+ 0 0 141 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.2 51.7 -72.4 -28.4 12.6 -22.1 10.0 127 127 A N T 3<5S- 0 0 106 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.395 110.3-123.6 -82.4 4.3 12.8 -23.6 6.5 128 128 A G T < 5 - 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0 0 20 -21,-2.6 2,-0.4 -2,-0.5 15,-0.0 -0.813 10.4-159.3-131.3 91.0 63.2 52.6 35.7 267 57 B I > - 0 0 65 -2,-0.5 3,-0.7 1,-0.1 4,-0.2 -0.558 8.1-152.7 -69.2 120.1 62.8 49.7 38.2 268 58 B A G > S+ 0 0 37 -2,-0.4 3,-1.3 -22,-0.3 4,-0.3 0.617 84.2 81.8 -77.4 -8.4 60.6 46.8 36.9 269 59 B S G > S+ 0 0 110 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.971 92.5 55.4 -49.3 -47.1 59.5 45.6 40.3 270 60 B A G < S+ 0 0 76 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.528 95.9 67.7 -57.2 -19.8 57.0 48.4 40.0 271 61 B F G < S- 0 0 53 -3,-1.3 2,-0.8 -4,-0.2 -1,-0.2 0.522 71.3-151.4 -98.2 -4.5 55.4 47.4 36.7 272 62 B D S < S+ 0 0 162 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.1 0.242 76.1 45.2 57.1 -14.5 53.4 44.1 37.1 273 63 B S S > S- 0 0 48 -2,-0.8 4,-2.3 -5,-0.1 5,-0.2 -0.977 71.2-132.4-159.2 144.3 54.0 43.1 33.4 274 64 B R H > S+ 0 0 88 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.968 112.2 49.2 -62.6 -44.7 56.7 42.9 30.7 275 65 B E H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 111.7 52.4 -62.3 -34.8 54.6 44.6 28.1 276 66 B A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 106.3 49.3 -70.2 -44.7 53.8 47.3 30.7 277 67 B Y H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.953 110.6 53.1 -61.3 -45.5 57.4 48.1 31.7 278 68 B D H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.855 103.9 55.1 -63.8 -32.0 58.3 48.4 28.1 279 69 B R H X S+ 0 0 133 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.931 108.9 46.6 -72.2 -35.1 55.5 50.9 27.3 280 70 B E H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.959 112.7 51.3 -63.3 -40.3 56.7 53.3 30.1 281 71 B L H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.954 110.4 47.9 -62.5 -48.6 60.2 52.9 28.8 282 72 B I H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.957 110.8 54.0 -53.9 -46.8 59.1 53.7 25.2 283 73 B H H < S+ 0 0 78 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.879 113.2 40.4 -54.6 -47.6 57.2 56.7 26.6 284 74 B E H < S+ 0 0 50 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.763 112.3 54.0 -71.8 -32.8 60.2 58.2 28.4 285 75 B I H >< S+ 0 0 0 -4,-2.0 3,-2.4 -3,-0.3 4,-0.3 0.949 101.5 59.5 -69.6 -45.2 62.8 57.5 25.7 286 76 B D G >< S+ 0 0 60 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.703 86.9 73.7 -65.3 -14.0 60.7 59.3 23.1 287 77 B M G 3 S+ 0 0 126 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.813 100.2 48.4 -60.0 -27.6 60.8 62.6 25.1 288 78 B Y G < S- 0 0 47 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.534 107.3-134.2 -92.9 0.9 64.5 62.7 23.9 289 79 B A < - 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0 0 58 -2,-0.3 2,-0.5 52,-0.0 -2,-0.0 -0.578 35.1-138.7 -76.4 134.7 64.7 40.9 26.9 302 92 B L - 0 0 5 -2,-0.2 -27,-0.1 49,-0.1 -28,-0.0 -0.845 19.6-116.5 -98.0 139.1 62.8 43.6 25.1 303 93 B S >> - 0 0 3 -2,-0.5 4,-2.1 -29,-0.2 3,-1.0 -0.360 27.1-100.8 -75.0 155.9 59.3 42.7 24.0 304 94 B P H 3> S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.704 121.3 55.6 -43.8 -30.4 58.1 42.6 20.4 305 95 B A H 3> S+ 0 0 63 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.927 108.2 45.4 -73.8 -44.9 56.5 45.9 20.8 306 96 B F H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 3,-0.2 0.974 116.9 45.5 -61.2 -51.6 59.7 47.7 21.9 307 97 B V H < S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.945 113.0 51.2 -62.6 -41.4 61.7 46.0 19.2 308 98 B S H >< S+ 0 0 88 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.896 109.8 51.2 -63.3 -29.2 58.9 46.8 16.7 309 99 B H H 3< S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.880 116.4 36.6 -79.6 -42.9 58.9 50.4 17.7 310 100 B Y T >< S+ 0 0 0 -4,-2.4 3,-2.5 -5,-0.1 4,-0.4 0.127 84.4 157.4 -96.0 24.2 62.6 51.1 17.4 311 101 B A T < S+ 0 0 67 -3,-0.7 -3,-0.1 1,-0.3 39,-0.1 -0.159 70.1 10.6 -49.0 115.4 62.9 48.8 14.3 312 102 B G T 3 S+ 0 0 23 37,-0.3 89,-0.3 2,-0.2 -1,-0.3 0.265 125.2 61.8 100.7 -18.7 66.0 49.8 12.3 313 103 B R S < S+ 0 0 74 -3,-2.5 -20,-3.1 36,-0.1 2,-0.5 0.070 75.9 101.5-130.5 21.5 67.4 52.1 14.9 314 104 B L E +l 293 0C 1 -4,-0.4 35,-1.9 35,-0.2 2,-0.3 -0.957 48.6 179.3-112.9 122.0 67.9 49.6 17.7 315 105 B L E -lM 294 348C 0 -22,-1.8 -20,-2.9 -2,-0.5 2,-0.3 -0.926 6.7-176.0-124.1 145.5 71.5 48.4 18.2 316 106 B N E -lM 295 347C 6 31,-2.5 31,-2.8 -2,-0.3 2,-0.6 -0.992 20.5-141.1-142.6 151.6 73.3 46.0 20.6 317 107 B I E - M 0 346C 13 -22,-0.7 -20,-0.3 -2,-0.3 29,-0.2 -0.941 20.7-172.6-111.6 120.9 76.7 44.7 21.5 318 108 B H E - M 0 345C 8 27,-3.0 27,-2.6 -2,-0.6 2,-2.3 -0.948 25.3-128.9-111.8 127.2 76.9 41.0 22.4 319 109 B P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 24,-0.2 -0.254 77.4 69.3 -81.5 61.8 80.3 39.4 23.8 320 110 B S S S- 0 0 0 -2,-2.3 2,-2.1 22,-0.1 -2,-0.1 -0.977 91.0 -97.1-162.1 157.2 80.7 36.4 21.5 321 111 B L S > S- 0 0 23 -2,-0.3 3,-1.8 22,-0.1 24,-0.1 -0.513 70.4-104.5 -84.9 83.0 81.4 35.7 17.8 322 112 B L T 3 S+ 0 0 11 -2,-2.1 22,-0.1 1,-0.4 33,-0.0 -0.155 101.9 30.1 -48.6 135.8 77.9 35.3 16.7 323 113 B P T 3 S+ 0 0 117 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.977 110.9 78.9 -83.7 3.3 76.2 33.0 16.0 324 114 B K S < S+ 0 0 122 -3,-1.8 -2,-0.2 1,-0.2 -4,-0.0 0.738 103.8 10.6 -51.7 -60.8 78.3 31.2 18.5 325 115 B Y + 0 0 21 1,-0.1 2,-0.9 2,-0.1 -1,-0.2 -0.561 67.6 174.2-123.9 76.9 77.3 31.9 22.1 326 116 B P + 0 0 63 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.123 57.2 43.8 -75.6 28.4 74.0 33.7 21.8 327 117 B G S S- 0 0 30 -2,-0.9 3,-0.4 1,-0.2 2,-0.2 -0.307 98.4 -47.3-137.9-138.5 73.0 34.0 25.5 328 118 B L S S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 -0.558 109.2 37.0 -98.8 171.1 74.6 34.8 28.9 329 119 B H > + 0 0 74 -2,-0.2 4,-2.2 1,-0.1 3,-0.4 0.562 66.4 151.3 63.0 14.8 77.9 33.5 30.2 330 120 B T H > + 0 0 5 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.720 67.9 53.6 -47.9 -37.8 79.6 33.5 26.7 331 121 B H H > S+ 0 0 24 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.983 109.6 48.3 -65.0 -46.9 83.2 34.1 28.1 332 122 B R H > S+ 0 0 37 -3,-0.4 4,-3.0 1,-0.2 5,-0.3 0.917 110.8 52.2 -59.4 -47.6 82.8 31.0 30.4 333 123 B Q H X S+ 0 0 63 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.943 110.0 48.4 -50.9 -47.4 81.5 29.0 27.4 334 124 B A H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.2 0.966 114.6 45.7 -57.1 -49.4 84.6 30.1 25.3 335 125 B L H ><5S+ 0 0 51 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.972 114.9 46.4 -59.5 -49.3 86.9 29.1 28.1 336 126 B E H 3<5S+ 0 0 92 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.2 51.7 -72.4 -28.4 85.2 25.8 28.8 337 127 B N T 3<5S- 0 0 104 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.394 110.3-123.6 -82.4 4.2 85.0 24.7 25.2 338 128 B G T < 5 - 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