==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-APR-04 1T3T . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.E.EALICK,R.ANAND,A.A.HOSKIN,J.STUBBE . 1284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 905 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 97 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 6 2 4 1 1 4 4 5 3 2 1 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 0 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 PARALLEL BRIDGES PER LADDER . 9 3 5 7 5 3 3 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 0 3 2 0 0 0 0 1 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 -7 A G 0 0 75 0, 0.0 11,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 127.4 112.0 62.3 -6.2 2 -6 A L E +A 11 0A 103 9,-0.2 9,-0.2 7,-0.0 7,-0.0 -0.977 360.0 169.5-127.1 118.1 115.8 62.2 -6.4 3 -5 A V E -A 10 0A 57 7,-2.6 7,-3.3 -2,-0.5 5,-0.0 -0.940 41.3 -91.5-132.2 150.1 117.6 59.2 -7.9 4 -4 A P E -A 9 0A 94 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.241 42.1-176.7 -54.7 141.9 121.2 58.3 -9.0 5 -3 A R E > -A 8 0A 22 3,-2.9 3,-2.2 1,-0.3 2,-0.2 -0.568 48.2 -73.7-149.3 82.8 121.7 59.1 -12.7 6 -2 A G T 3 S- 0 0 69 1,-0.3 -1,-0.3 -2,-0.2 153,-0.1 -0.514 114.3 -17.3 67.9-129.6 125.0 58.2 -14.3 7 -1 A S T 3 S+ 0 0 122 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.482 141.9 50.6 -85.2 -0.1 127.6 60.7 -13.1 8 0 A H E < S-A 5 0A 40 -3,-2.2 -3,-2.9 45,-0.0 2,-0.3 -0.302 83.7-110.7-119.7-164.1 124.6 62.9 -12.0 9 1 A M E -AB 4 51A 73 42,-1.6 42,-3.6 -5,-0.3 2,-0.5 -0.982 22.6-144.8-133.2 140.3 121.3 62.7 -10.1 10 2 A M E -AB 3 50A 0 -7,-3.3 -7,-2.6 -2,-0.3 2,-0.4 -0.960 8.4-157.9-114.1 126.4 117.8 63.0 -11.7 11 3 A E E -AB 2 49A 6 38,-3.3 38,-3.4 -2,-0.5 2,-0.6 -0.841 3.4-156.1-102.4 134.0 115.0 64.7 -9.9 12 4 A I E - B 0 48A 35 -11,-2.9 2,-0.5 -2,-0.4 36,-0.2 -0.959 12.5-177.5-112.8 115.1 111.4 63.8 -10.8 13 5 A L E - B 0 47A 18 34,-2.8 34,-3.2 -2,-0.6 2,-0.2 -0.957 21.3-135.9-118.2 116.5 108.8 66.5 -10.0 14 6 A R E - B 0 46A 216 -2,-0.5 32,-0.2 32,-0.2 31,-0.1 -0.483 27.7-162.3 -69.4 134.2 105.1 65.9 -10.7 15 7 A G E - 0 0 16 30,-3.2 53,-0.1 1,-0.2 -1,-0.1 -0.049 24.8 -61.1 -99.8-155.0 103.4 68.9 -12.4 16 8 A S E - 0 0 44 51,-0.2 29,-2.4 53,-0.2 -1,-0.2 -0.456 66.4 -72.0 -93.1 161.6 99.9 70.1 -13.0 17 9 A P E - B 0 44A 16 0, 0.0 27,-0.3 0, 0.0 56,-0.3 -0.277 44.6-157.1 -51.7 134.8 97.0 68.5 -14.9 18 10 A A + 0 0 14 25,-1.7 2,-0.5 101,-0.2 26,-0.2 0.678 61.0 61.8 -94.1 -21.9 97.8 68.7 -18.6 19 11 A L - 0 0 40 24,-0.5 24,-0.2 55,-0.1 55,-0.1 -0.932 66.1-139.1-120.7 132.3 94.5 68.5 -20.4 20 12 A S > - 0 0 32 -2,-0.5 4,-2.2 1,-0.1 3,-0.5 -0.267 40.0 -97.0 -71.2 165.1 91.4 70.7 -20.4 21 13 A A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 122.5 49.1 -53.1 -47.2 87.9 69.1 -20.4 22 14 A F H > S+ 0 0 33 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.828 110.9 51.3 -65.9 -30.9 87.3 69.3 -24.1 23 15 A R H > S+ 0 0 52 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.906 110.4 48.3 -70.8 -41.9 90.7 67.8 -24.9 24 16 A I H X S+ 0 0 30 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 112.4 49.1 -63.2 -42.4 90.0 64.9 -22.5 25 17 A N H X S+ 0 0 99 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.827 107.5 55.4 -66.1 -32.6 86.6 64.4 -24.2 26 18 A K H X S+ 0 0 36 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.879 109.5 46.7 -67.6 -38.6 88.2 64.5 -27.6 27 19 A L H X S+ 0 0 25 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.933 112.1 48.8 -68.7 -47.7 90.5 61.7 -26.6 28 20 A L H X S+ 0 0 33 -4,-2.3 4,-1.5 1,-0.2 3,-0.2 0.897 111.4 50.2 -59.1 -41.8 87.8 59.5 -25.1 29 21 A A H X S+ 0 0 57 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.835 108.3 53.4 -65.9 -32.9 85.6 60.0 -28.2 30 22 A R H < S+ 0 0 116 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 104.5 55.9 -73.0 -27.0 88.6 59.0 -30.4 31 23 A F H ><>S+ 0 0 2 -4,-1.5 5,-3.2 -3,-0.2 3,-1.0 0.874 106.3 49.4 -71.9 -38.4 89.0 55.8 -28.3 32 24 A Q H ><5S+ 0 0 148 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.810 103.7 60.4 -69.8 -29.7 85.4 54.8 -29.1 33 25 A A T 3<5S+ 0 0 89 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.549 110.4 42.2 -73.6 -8.6 86.0 55.5 -32.8 34 26 A A T < 5S- 0 0 41 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.218 118.1-112.0-118.6 8.6 88.6 52.8 -32.6 35 27 A N T < 5 + 0 0 144 -3,-1.1 2,-0.8 1,-0.2 -3,-0.2 0.772 68.2 146.0 63.1 30.0 86.6 50.4 -30.5 36 28 A L < - 0 0 4 -5,-3.2 2,-1.7 -6,-0.1 -1,-0.2 -0.877 46.6-141.0 -98.9 108.1 88.9 50.9 -27.5 37 29 A Q + 0 0 118 -2,-0.8 2,-0.6 -3,-0.1 90,-0.2 -0.522 32.6 168.6 -74.6 84.9 86.7 50.7 -24.4 38 30 A V - 0 0 19 -2,-1.7 86,-0.2 -10,-0.2 3,-0.1 -0.894 20.4-169.1-101.5 120.6 88.4 53.4 -22.2 39 31 A H - 0 0 101 84,-2.2 2,-0.3 -2,-0.6 85,-0.2 0.875 68.2 -15.1 -76.0 -39.4 86.4 54.3 -19.2 40 32 A N E - C 0 123A 67 83,-1.4 83,-2.7 2,-0.0 2,-0.3 -0.988 54.0-157.3-163.8 155.4 88.4 57.4 -18.3 41 33 A I E - C 0 122A 3 -2,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.995 8.3-179.0-140.8 143.3 91.7 59.3 -18.9 42 34 A Y E - C 0 121A 11 79,-1.6 79,-3.1 -2,-0.3 2,-0.4 -0.990 10.0-156.5-140.6 143.6 93.7 61.8 -16.9 43 35 A A E - C 0 120A 2 -2,-0.3 -25,-1.7 77,-0.2 -24,-0.5 -0.967 9.4-179.1-129.0 146.4 96.9 63.6 -17.7 44 36 A E E -BC 17 119A 20 75,-2.0 75,-3.6 -2,-0.4 2,-0.1 -0.997 27.2-123.1-145.0 131.9 99.6 65.2 -15.7 45 37 A Y E - C 0 118A 61 -29,-2.4 -30,-3.2 -2,-0.4 2,-0.4 -0.451 27.7-163.6 -70.2 145.3 102.8 67.0 -16.7 46 38 A V E -BC 14 117A 4 71,-2.4 71,-2.7 -32,-0.2 2,-0.4 -0.999 3.7-150.7-135.1 131.7 106.0 65.5 -15.1 47 39 A H E -BC 13 116A 2 -34,-3.2 -34,-2.8 -2,-0.4 2,-0.5 -0.833 3.4-159.5-107.0 143.5 109.3 67.3 -15.0 48 40 A F E -BC 12 115A 0 67,-3.1 67,-2.5 -2,-0.4 2,-0.5 -0.981 5.0-166.2-123.9 124.7 112.8 65.7 -15.0 49 41 A A E -BC 11 114A 0 -38,-3.4 -38,-3.3 -2,-0.5 2,-0.7 -0.950 9.0-155.7-117.8 116.1 115.8 67.5 -13.7 50 42 A D E -BC 10 113A 1 63,-3.1 62,-3.1 -2,-0.5 63,-1.4 -0.815 21.7-161.3 -88.4 114.5 119.3 66.2 -14.4 51 43 A L E -BC 9 111A 6 -42,-3.6 -42,-1.6 -2,-0.7 60,-0.2 -0.875 26.5-173.0-106.3 131.9 121.5 67.7 -11.5 52 44 A N S S+ 0 0 77 58,-2.6 59,-0.1 -2,-0.4 -1,-0.1 0.419 81.5 15.1 -95.4 -2.6 125.3 68.0 -11.6 53 45 A A S S- 0 0 36 57,-0.7 -1,-0.2 -44,-0.1 -44,-0.1 -0.975 94.1 -76.5-163.3 160.4 125.3 69.0 -7.9 54 46 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 56,-0.1 -0.197 32.9-139.1 -65.5 153.1 123.1 69.1 -4.8 55 47 A L - 0 0 28 55,-0.1 2,-0.1 -4,-0.0 53,-0.0 -0.959 16.2-142.1-112.9 125.3 120.2 71.5 -4.2 56 48 A N > - 0 0 86 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.301 37.4 -89.5 -78.6 173.9 119.8 73.0 -0.7 57 49 A D H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.868 127.4 48.1 -52.1 -43.9 116.4 73.5 0.8 58 50 A S H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 115.0 44.5 -63.8 -47.2 116.1 77.1 -0.5 59 51 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.858 111.4 53.5 -65.9 -37.5 117.2 76.1 -4.1 60 52 A Q H X S+ 0 0 57 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.927 108.3 50.5 -62.9 -43.1 114.9 73.1 -4.0 61 53 A A H X S+ 0 0 59 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.896 110.0 50.8 -61.5 -40.1 112.0 75.3 -3.1 62 54 A Q H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.885 109.8 49.2 -65.6 -40.0 112.9 77.6 -6.0 63 55 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.931 111.7 48.1 -65.4 -46.1 113.0 74.7 -8.5 64 56 A T H < S+ 0 0 72 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.921 112.3 50.3 -60.1 -42.4 109.6 73.4 -7.3 65 57 A R H >< S+ 0 0 102 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.907 106.2 55.0 -62.8 -42.8 108.2 76.9 -7.6 66 58 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.1 53.3 -58.3 -34.6 109.6 77.3 -11.1 67 59 A L T 3< S+ 0 0 8 -4,-1.6 2,-0.8 -3,-0.2 -1,-0.3 0.252 85.4 95.7 -88.6 14.1 107.8 74.2 -12.1 68 60 A Q < + 0 0 55 -3,-1.9 2,-0.3 1022,-0.1 -1,-0.1 -0.893 59.9 113.5-105.9 102.5 104.4 75.4 -10.9 69 61 A Y + 0 0 29 -2,-0.8 -53,-0.2 2,-0.1 1022,-0.1 -0.945 27.1 60.6-156.9 178.4 102.6 76.9 -13.9 70 62 A G S S- 0 0 28 -2,-0.3 -52,-0.0 1077,-0.1 1077,-0.0 -0.153 86.7 -27.6 85.9 175.6 99.7 76.7 -16.3 71 63 A P - 0 0 31 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 -0.297 63.6-111.8 -63.3 145.8 95.9 76.8 -15.9 72 64 A A + 0 0 78 -56,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.586 53.6 177.2 -80.6 78.9 94.5 75.6 -12.6 73 65 A L - 0 0 48 -2,-2.0 2,-0.2 -56,-0.3 -53,-0.1 -0.385 41.3 -71.9 -83.1 164.3 92.8 72.5 -14.1 74 66 A S - 0 0 91 -55,-0.1 2,-0.3 -2,-0.1 -55,-0.1 -0.377 52.1-149.7 -59.7 117.6 90.9 69.8 -12.3 75 67 A S + 0 0 85 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.669 18.1 179.1 -91.9 146.0 93.3 67.7 -10.3 76 68 A H - 0 0 107 -2,-0.3 3,-0.0 3,-0.0 -34,-0.0 -0.958 35.1 -99.6-143.3 158.2 92.7 64.0 -9.6 77 69 A T - 0 0 123 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.683 54.2 -98.3 -80.7 129.9 94.5 61.1 -7.8 78 70 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.221 53.6 167.5 -50.1 129.7 96.3 58.9 -10.3 79 71 A A + 0 0 43 2,-0.1 2,-0.2 -37,-0.1 -37,-0.1 -0.988 37.7 15.6-149.3 139.2 94.2 55.8 -11.2 80 72 A G S S- 0 0 54 -2,-0.3 2,-0.3 41,-0.1 43,-0.2 -0.579 102.6 -15.9 98.4-163.8 94.6 53.2 -13.9 81 73 A K E -D 122 0A 88 41,-2.5 41,-2.4 -2,-0.2 2,-0.4 -0.631 62.5-131.5 -84.7 133.8 97.5 52.3 -16.2 82 74 A L E +D 121 0A 35 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.679 23.6 178.6 -86.5 131.8 100.4 54.8 -16.5 83 75 A L E -D 120 0A 8 37,-2.2 37,-2.2 -2,-0.4 2,-0.6 -0.905 13.3-159.3-133.6 100.6 101.7 55.7 -20.0 84 76 A L E -DE 119 148A 0 64,-2.8 64,-3.4 -2,-0.4 2,-0.5 -0.753 2.6-161.5 -87.3 119.0 104.5 58.3 -19.9 85 77 A V E +DE 118 147A 5 33,-2.6 33,-2.5 -2,-0.6 62,-0.2 -0.895 22.8 156.2-101.8 125.1 105.0 60.2 -23.2 86 78 A T E - E 0 146A 1 60,-2.2 60,-2.4 -2,-0.5 31,-0.1 -0.849 50.6 -76.4-139.2 169.7 108.4 62.0 -23.5 87 79 A P E - E 0 145A 16 0, 0.0 58,-0.3 0, 0.0 3,-0.1 -0.379 68.1 -87.3 -65.3 153.7 110.6 63.2 -26.4 88 80 A R > - 0 0 20 56,-2.2 3,-1.6 1,-0.1 57,-0.0 -0.363 53.0 -92.8 -64.3 141.8 112.4 60.3 -28.0 89 81 A P T 3 S+ 0 0 59 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 -0.290 115.5 35.2 -55.1 137.5 115.7 59.3 -26.3 90 82 A G T 3 S+ 0 0 52 1,-0.4 2,-0.3 67,-0.3 363,-0.3 0.415 102.9 96.6 95.5 -1.8 118.6 61.1 -28.0 91 83 A T < - 0 0 67 -3,-1.6 2,-0.5 -4,-0.1 -1,-0.4 -0.899 59.4-152.9-120.9 149.9 116.5 64.2 -28.6 92 84 A I - 0 0 16 -2,-0.3 23,-0.1 -3,-0.1 -4,-0.0 -0.991 21.3-133.3-122.8 118.4 116.3 67.4 -26.5 93 85 A S > - 0 0 17 -2,-0.5 4,-1.6 1,-0.1 3,-0.5 -0.354 17.6-121.3 -71.6 151.2 113.0 69.3 -26.7 94 86 A P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.850 116.4 63.5 -58.8 -31.9 113.0 73.0 -27.3 95 87 A W H > S+ 0 0 27 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.925 101.9 50.3 -55.3 -45.9 111.0 73.1 -24.0 96 88 A S H > S+ 0 0 1 -3,-0.5 4,-2.3 2,-0.2 18,-0.5 0.913 108.2 50.5 -59.3 -48.2 114.2 71.7 -22.4 97 89 A S H X S+ 0 0 20 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.923 118.1 39.0 -57.6 -45.9 116.5 74.2 -23.9 98 90 A K H X S+ 0 0 12 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.872 114.9 50.8 -75.3 -37.1 114.4 77.1 -22.7 99 91 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.862 110.1 51.5 -68.3 -36.7 113.4 75.7 -19.3 100 92 A T H X S+ 0 0 12 -4,-2.3 4,-2.3 14,-0.3 -1,-0.2 0.836 105.2 56.0 -69.1 -33.0 117.1 75.0 -18.5 101 93 A D H X S+ 0 0 36 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.901 107.5 49.5 -64.4 -41.0 117.9 78.7 -19.4 102 94 A I H X S+ 0 0 0 -4,-1.6 4,-1.0 2,-0.2 6,-0.2 0.951 108.6 51.7 -62.4 -49.7 115.4 79.8 -16.8 103 95 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.9 0.935 113.6 45.3 -51.7 -48.2 116.8 77.5 -14.2 104 96 A H H ><5S+ 0 0 58 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.886 110.7 51.9 -63.4 -43.5 120.3 79.0 -14.9 105 97 A N H 3<5S+ 0 0 32 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.563 105.1 58.3 -72.1 -7.8 119.1 82.6 -15.0 106 98 A C T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.154 126.6-100.7-103.4 14.4 117.5 81.9 -11.6 107 99 A G T < 5S+ 0 0 38 -3,-1.6 2,-1.0 -5,-0.1 3,-0.2 0.587 84.7 129.7 78.8 12.2 120.9 81.0 -10.1 108 100 A L > < + 0 0 1 -5,-2.6 3,-1.7 -6,-0.2 -1,-0.1 -0.503 14.6 153.7 -99.0 66.1 120.3 77.2 -10.4 109 101 A Q T 3 + 0 0 113 -2,-1.0 -1,-0.2 1,-0.3 -57,-0.1 0.693 63.2 75.2 -64.7 -19.0 123.5 76.2 -12.1 110 102 A Q T 3 S+ 0 0 25 -3,-0.2 -58,-2.6 -7,-0.1 2,-0.8 0.678 74.6 91.6 -66.7 -19.8 123.3 72.7 -10.5 111 103 A V E < -C 51 0A 0 -3,-1.7 -60,-0.2 -60,-0.2 3,-0.2 -0.725 53.6-179.4 -81.0 109.4 120.5 71.9 -13.0 112 104 A D E - 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0 0 2 -4,-2.9 4,-2.2 148,-0.3 150,-0.3 -0.771 67.9-170.6-142.3 92.8 106.6 66.2 -39.5 312 304 A P H > S+ 0 0 8 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.813 78.3 52.6 -50.6 -51.4 104.4 69.3 -40.3 313 305 A W H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.984 118.4 32.9 -57.6 -62.1 104.9 71.4 -37.2 314 306 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.846 117.0 59.2 -63.5 -34.3 108.7 71.5 -37.1 315 307 A G H X S+ 0 0 0 -4,-2.2 4,-0.7 -8,-0.3 -7,-0.2 0.938 112.7 36.2 -60.0 -49.2 108.8 71.4 -40.9 316 308 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.891 116.5 54.4 -71.5 -38.3 106.8 74.7 -41.2 317 309 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.919 113.2 40.7 -63.0 -45.8 108.4 76.3 -38.2 318 310 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.652 106.5 65.8 -76.7 -17.3 112.0 75.8 -39.4 319 311 A G H X S+ 0 0 4 -4,-0.7 4,-1.5 -5,-0.3 -2,-0.2 0.945 110.9 35.8 -65.7 -45.9 110.8 76.7 -42.9 320 312 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 117.2 55.0 -70.2 -43.2 110.1 80.2 -41.5 321 313 A G H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.887 108.0 46.6 -58.1 -44.7 113.2 80.0 -39.2 322 314 A G H X S+ 0 0 9 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.895 112.8 50.2 -66.1 -39.2 115.6 79.2 -42.0 323 315 A E H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.846 107.0 54.3 -67.8 -35.6 114.2 82.0 -44.1 324 316 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.815 106.6 52.5 -67.2 -31.9 114.4 84.5 -41.2 325 317 A R H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.881 104.4 55.9 -70.0 -38.3 118.2 83.7 -40.9 326 318 A D H < S+ 0 0 2 -4,-1.6 -59,-0.2 2,-0.2 -2,-0.2 0.893 109.9 47.2 -58.0 -42.8 118.7 84.3 -44.6 327 319 A E H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.950 113.3 45.1 -64.6 -53.0 117.2 87.8 -44.1 328 320 A G H 3< S+ 0 0 0 -4,-2.2 6,-1.5 1,-0.3 -2,-0.2 0.806 112.1 54.2 -62.8 -28.6 119.3 88.7 -41.0 329 321 A A T 3< S+ 0 0 0 -4,-2.3 2,-0.3 4,-0.2 -1,-0.3 0.154 79.6 123.6 -92.4 16.3 122.4 87.3 -42.7 330 322 A T S X S- 0 0 0 -3,-1.6 3,-2.2 -63,-0.1 104,-0.1 -0.616 84.7 -29.6 -77.5 137.5 122.0 89.5 -45.8 331 323 A G T 3 S- 0 0 0 -2,-0.3 159,-0.6 1,-0.3 102,-0.2 -0.308 127.6 -27.2 57.1-129.6 125.0 91.7 -46.4 332 324 A R T 3 S- 0 0 45 100,-2.4 -1,-0.3 1,-0.4 155,-0.2 -0.003 127.1 -38.5-106.9 28.9 126.8 92.5 -43.2 333 325 A G < - 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m 0 399D 0 53,-2.2 55,-2.1 -2,-0.4 71,-0.2 -0.850 42.2 -96.0-136.0 175.7 98.2 70.3 -50.1 346 338 A S S S- 0 0 3 69,-0.6 55,-0.2 -2,-0.3 -1,-0.2 0.024 73.1 -43.9 -78.5-167.5 95.9 67.6 -51.4 347 339 A N - 0 0 3 12,-0.2 24,-0.4 52,-0.1 23,-0.3 -0.358 47.3-143.8 -63.7 140.4 92.1 67.4 -50.5 348 340 A L - 0 0 6 22,-0.2 23,-0.3 -3,-0.1 -1,-0.1 0.879 15.4-166.4 -71.4 -40.8 91.3 68.0 -46.8 349 341 A R - 0 0 63 1,-0.2 5,-0.2 4,-0.1 3,-0.1 0.943 14.8-156.4 48.8 55.6 88.5 65.4 -46.5 350 342 A I > - 0 0 5 3,-0.4 3,-2.8 1,-0.1 -1,-0.2 -0.472 26.6-100.5 -63.7 125.3 87.4 66.9 -43.1 351 343 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.251 106.8 4.3 -51.3 123.8 85.5 64.2 -41.2 352 344 A G T 3 S+ 0 0 88 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.423 122.8 74.8 79.4 0.2 81.8 64.9 -41.5 353 345 A F < + 0 0 27 -3,-2.8 -3,-0.4 2,-0.0 -4,-0.1 -0.198 62.7 159.9-134.7 37.1 82.4 67.8 -44.0 354 346 A E - 0 0 101 -5,-0.2 0, 0.0 -6,-0.1 0, 0.0 -0.397 31.2-138.0 -64.0 138.5 83.3 65.8 -47.1 355 347 A Q > - 0 0 30 -2,-0.1 3,-2.0 1,-0.1 -1,-0.1 -0.759 18.3-113.5-102.4 150.0 83.0 67.8 -50.4 356 348 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.725 113.2 50.4 -47.3 -35.6 81.5 66.5 -53.7 357 349 A W T 3 S+ 0 0 2 479,-0.0 2,-0.3 2,-0.0 480,-0.1 0.522 88.6 104.3 -85.8 -8.2 84.8 66.6 -55.6 358 350 A E < + 0 0 27 -3,-2.0 2,-0.4 478,-0.1 44,-0.1 -0.607 40.4 172.7 -84.0 136.1 86.9 64.8 -53.0 359 351 A E - 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