==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAR-10 3M16 . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR A.U.SINGER,O.KAGAN,R.ZHANG,A.JOACHIMIAK,A.M.EDWARDS,A.SAVCHE . 326 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 0.6 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 1 1 3 1 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 1 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 A G 0 0 136 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.1 46.8 -47.5 -4.8 2 1 A X - 0 0 178 1,-1.0 2,-0.3 266,-0.0 0, 0.0 0.640 360.0 -6.8-115.1 -65.8 45.3 -44.1 -5.5 3 2 A S 0 0 53 1,-0.1 -1,-1.0 265,-0.1 265,-0.1 -0.822 360.0 360.0-115.7 166.3 45.6 -42.4 -2.1 4 3 A A 0 0 121 -2,-0.3 -1,-0.1 263,-0.2 263,-0.1 0.319 360.0 360.0-142.8 360.0 46.9 -44.4 1.0 5 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 6 5 A A 0 0 89 0, 0.0 2,-0.3 0, 0.0 259,-0.1 0.000 360.0 360.0 360.0-102.3 43.6 -43.2 5.3 7 6 A K - 0 0 158 257,-0.2 2,-0.2 4,-0.1 3,-0.1 -0.466 360.0 -38.1 109.3 -55.9 42.3 -42.7 8.9 8 7 A N > - 0 0 13 -2,-0.3 4,-3.2 1,-0.1 256,-0.2 -0.856 65.9 -87.4 172.9 166.6 41.3 -39.0 8.5 9 8 A K H > S+ 0 0 13 254,-2.6 4,-3.3 251,-0.6 5,-0.3 0.858 120.9 52.5 -63.3 -42.2 42.7 -35.9 6.8 10 9 A L H > S+ 0 0 0 250,-0.8 4,-2.2 253,-0.3 -1,-0.2 0.979 116.5 41.0 -52.4 -56.3 45.0 -34.7 9.6 11 10 A E H 4 S+ 0 0 79 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.932 115.3 52.4 -59.8 -44.0 46.6 -38.1 9.7 12 11 A A H >< S+ 0 0 19 -4,-3.2 3,-1.5 1,-0.2 4,-0.4 0.919 109.5 47.4 -56.7 -49.1 46.6 -38.3 5.9 13 12 A L H >X S+ 0 0 4 -4,-3.3 4,-1.8 1,-0.3 3,-1.6 0.868 99.7 68.2 -61.4 -39.8 48.3 -34.9 5.4 14 13 A K T 3< S+ 0 0 56 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.677 98.3 55.0 -53.2 -17.0 51.0 -35.9 8.0 15 14 A A T <4 S+ 0 0 91 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.641 116.7 29.1 -97.1 -17.2 52.2 -38.5 5.5 16 15 A X T <4 S+ 0 0 48 -3,-1.6 2,-0.3 -4,-0.4 -2,-0.2 0.483 127.3 34.6-114.9 -7.9 52.9 -36.3 2.4 17 16 A T S < S- 0 0 7 -4,-1.8 2,-0.6 -5,-0.1 -1,-0.3 -0.997 82.3-111.8-151.7 136.2 53.7 -33.1 4.3 18 17 A T E -a 249 0A 49 230,-2.6 232,-1.8 229,-0.4 2,-0.4 -0.616 42.5-141.1 -71.2 117.3 55.4 -32.1 7.6 19 18 A V E -a 250 0A 2 -2,-0.6 16,-2.0 230,-0.2 17,-1.0 -0.672 19.3-169.7 -92.3 135.0 52.6 -30.7 9.6 20 19 A V E -ab 251 36A 0 230,-3.1 232,-2.7 -2,-0.4 2,-0.5 -0.981 18.8-132.5-126.3 131.3 53.1 -27.7 11.8 21 20 A A E -ab 252 37A 0 15,-1.4 17,-2.1 -2,-0.4 2,-1.4 -0.639 10.4-148.8 -76.1 122.4 50.8 -26.2 14.4 22 21 A D E + b 0 38A 22 230,-2.7 2,-0.3 -2,-0.5 17,-0.1 -0.663 63.4 92.2 -89.9 77.4 50.4 -22.4 14.2 23 22 A T - 0 0 9 -2,-1.4 15,-0.2 15,-0.8 -2,-0.1 -0.970 66.0-142.4-164.3 157.2 50.0 -21.7 17.9 24 23 A G S S+ 0 0 1 -2,-0.3 2,-0.6 19,-0.2 69,-0.1 0.439 73.9 100.3 -96.2 -1.9 51.8 -20.8 21.1 25 24 A D >> - 0 0 35 1,-0.1 4,-1.8 67,-0.0 3,-0.8 -0.765 59.8-154.4-104.6 119.2 49.7 -23.1 23.3 26 25 A I H 3> S+ 0 0 16 -2,-0.6 4,-4.1 1,-0.2 5,-0.3 0.857 93.8 67.9 -51.6 -39.9 50.9 -26.5 24.5 27 26 A E H 3> S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 105.4 41.0 -50.2 -47.3 47.3 -27.6 24.9 28 27 A A H <> S+ 0 0 8 -3,-0.8 4,-2.0 2,-0.2 5,-0.3 0.915 115.7 50.8 -66.1 -43.9 46.9 -27.5 21.1 29 28 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 110.5 49.2 -59.0 -45.8 50.3 -29.0 20.5 30 29 A K H < S+ 0 0 120 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.940 113.0 47.9 -58.8 -47.5 49.5 -31.9 22.9 31 30 A Q H < S+ 0 0 121 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.810 123.3 29.5 -63.7 -35.4 46.2 -32.5 21.2 32 31 A F H < S- 0 0 6 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.600 87.4-145.8-107.3 -14.2 47.5 -32.5 17.5 33 32 A K < + 0 0 153 -4,-2.5 -3,-0.1 -5,-0.3 -14,-0.1 0.920 27.7 179.8 47.0 61.2 51.1 -33.8 17.9 34 33 A P - 0 0 3 0, 0.0 65,-0.2 0, 0.0 -14,-0.2 -0.378 31.6-132.0 -79.2 167.8 52.7 -31.7 15.1 35 34 A V S S+ 0 0 46 -16,-2.0 64,-1.9 62,-0.2 2,-0.2 0.858 86.7 19.3 -93.7 -41.1 56.4 -31.9 14.3 36 35 A D E -b 20 0A 5 -17,-1.0 -15,-1.4 63,-0.2 2,-0.3 -0.652 69.4-156.4-109.1 175.5 57.2 -28.2 14.2 37 36 A A E -bc 21 101A 0 63,-1.8 65,-0.8 -2,-0.2 2,-0.4 -0.963 1.2-153.3-142.0 164.8 55.3 -25.1 15.5 38 37 A T E +bc 22 102A 2 -17,-2.1 -15,-0.8 -2,-0.3 2,-0.3 -0.985 10.4 179.5-132.9 146.9 55.2 -21.5 14.7 39 38 A T - 0 0 2 63,-1.5 3,-0.0 -2,-0.4 101,-0.0 -0.861 2.1-177.1-130.5 174.5 54.4 -18.3 16.7 40 39 A N > - 0 0 11 -2,-0.3 4,-2.9 63,-0.1 5,-0.3 -0.960 49.6 -80.0-159.8 170.2 54.3 -14.7 15.9 41 40 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.833 129.4 46.7 -45.0 -40.1 53.7 -11.4 17.7 42 41 A S H > S+ 0 0 33 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.945 113.9 46.6 -69.4 -44.8 49.9 -11.9 17.6 43 42 A L H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -19,-0.2 0.795 112.7 50.8 -67.9 -26.1 50.1 -15.5 18.7 44 43 A I H X S+ 0 0 12 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.945 110.6 47.9 -76.4 -45.7 52.5 -14.4 21.5 45 44 A L H X S+ 0 0 18 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.946 115.3 47.6 -51.5 -49.9 50.2 -11.7 22.6 46 45 A K H >< S+ 0 0 140 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.954 112.6 46.3 -58.9 -52.6 47.4 -14.2 22.5 47 46 A A H >< S+ 0 0 3 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.847 102.8 65.4 -59.9 -38.0 49.3 -17.0 24.4 48 47 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.742 93.5 61.9 -56.8 -25.7 50.4 -14.4 27.0 49 48 A K T << S+ 0 0 152 -3,-1.5 -1,-0.3 -4,-0.8 2,-0.3 0.534 80.7 111.6 -77.2 -6.5 46.7 -14.1 28.0 50 49 A L X> - 0 0 57 -3,-2.4 3,-1.0 -4,-0.2 4,-0.5 -0.535 66.2-142.2 -73.3 132.4 46.7 -17.8 29.0 51 50 A A G >4 S+ 0 0 74 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 0.924 101.4 52.3 -54.0 -51.2 46.3 -18.4 32.7 52 51 A N G 34 S+ 0 0 126 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.608 109.0 53.4 -67.0 -9.4 48.7 -21.4 32.8 53 52 A Y G X> S+ 0 0 5 -3,-1.0 3,-1.2 -6,-0.2 4,-0.8 0.517 78.7 92.8-101.8 -10.1 51.2 -19.2 31.1 54 53 A Q H XX S+ 0 0 60 -3,-1.8 4,-1.5 -4,-0.5 3,-0.9 0.863 80.3 61.5 -54.5 -39.0 51.1 -16.3 33.6 55 54 A H H 3> S+ 0 0 84 -4,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.887 98.5 58.1 -52.2 -38.7 54.0 -17.9 35.4 56 55 A L H <4 S+ 0 0 5 -3,-1.2 4,-0.5 1,-0.2 -1,-0.2 0.778 99.2 57.0 -65.8 -30.4 56.1 -17.5 32.2 57 56 A I H XX S+ 0 0 1 -3,-0.9 4,-1.9 -4,-0.8 3,-0.5 0.937 110.7 44.1 -65.6 -45.8 55.6 -13.7 32.3 58 57 A E H >X S+ 0 0 62 -4,-1.5 4,-3.0 1,-0.2 3,-0.8 0.992 108.3 55.0 -59.2 -63.3 57.1 -13.5 35.8 59 58 A E H 3X S+ 0 0 86 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.659 110.5 51.3 -44.6 -17.9 60.0 -15.8 35.0 60 59 A A H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.5 -1,-0.3 0.871 111.4 43.0 -87.2 -46.1 60.6 -13.4 32.2 61 60 A I H X S+ 0 0 65 -4,-3.0 4,-1.9 2,-0.2 3,-1.3 0.950 112.8 42.5 -40.1 -83.3 62.6 -12.2 37.0 63 62 A W H 3X S+ 0 0 54 -4,-1.2 4,-2.1 1,-0.3 5,-0.5 0.810 115.0 51.8 -33.4 -48.4 65.3 -13.1 34.4 64 63 A A H 3X S+ 0 0 2 -4,-2.6 4,-1.7 3,-0.2 -1,-0.3 0.932 121.2 32.9 -58.6 -45.0 65.1 -9.5 33.0 65 64 A L H << S+ 0 0 60 -4,-3.4 -2,-0.2 -3,-1.3 -3,-0.2 0.967 117.1 50.3 -75.9 -62.4 65.6 -8.1 36.5 66 65 A Q H < S+ 0 0 169 -4,-1.9 3,-0.4 1,-0.2 -3,-0.2 0.802 119.8 40.8 -49.5 -38.1 67.9 -10.6 38.2 67 66 A I H < S+ 0 0 104 -4,-2.1 2,-1.4 -5,-0.5 3,-0.2 0.927 117.9 50.5 -68.5 -49.2 70.2 -10.4 35.1 68 67 A K < + 0 0 58 -4,-1.7 -1,-0.2 -5,-0.5 -2,-0.1 -0.631 62.4 162.1 -95.8 72.8 69.6 -6.6 35.0 69 68 A G 0 0 64 -2,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 0.901 360.0 360.0 -49.5 -46.8 70.4 -5.7 38.6 70 69 A N 0 0 164 -3,-0.2 -1,-0.2 -4,-0.0 3,-0.1 -0.969 360.0 360.0-155.2 360.0 70.8 -2.2 37.2 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 71 A K 0 0 139 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 120.6 66.5 0.0 34.6 73 72 A N >> - 0 0 72 1,-0.1 4,-4.1 2,-0.1 5,-0.6 -0.934 360.0-144.1-117.1 103.8 65.9 1.6 31.1 74 73 A S T 45S+ 0 0 84 -2,-0.5 4,-0.5 1,-0.2 -1,-0.1 0.748 98.2 26.0 -46.8 -40.7 62.1 1.9 30.8 75 74 A Q T >>5S+ 0 0 104 2,-0.1 4,-2.2 3,-0.1 3,-0.9 0.935 124.1 48.3 -77.9 -66.0 62.2 1.0 27.1 76 75 A T H 3>5S+ 0 0 73 1,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.833 115.0 47.3 -44.2 -38.1 65.4 -1.0 26.8 77 76 A T H 3X5S+ 0 0 9 -4,-4.1 4,-1.5 1,-0.2 -1,-0.3 0.842 108.3 53.6 -82.2 -29.8 64.4 -3.2 29.8 78 77 A L H <>< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.3 0.914 105.1 64.7 -68.1 -35.9 56.2 -25.7 23.1 94 93 A L H >< S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.837 90.0 64.9 -55.4 -38.5 59.6 -27.3 22.4 95 94 A T T 3< S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.756 108.9 40.8 -53.3 -26.3 59.2 -29.8 25.3 96 95 A S T < S+ 0 0 45 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.253 104.7 71.3-113.6 9.9 56.3 -31.4 23.3 97 96 A I < - 0 0 7 -3,-1.5 -62,-0.2 -4,-0.3 -60,-0.1 -0.993 61.5-148.7-130.6 138.6 57.5 -31.3 19.7 98 97 A P S S+ 0 0 106 0, 0.0 -62,-0.1 0, 0.0 -63,-0.1 0.669 82.2 41.6 -72.2 -17.8 60.2 -33.5 18.0 99 98 A G S S- 0 0 15 -64,-1.9 -63,-0.2 1,-0.2 2,-0.2 0.296 94.9 -38.1-107.9-130.0 61.1 -30.7 15.6 100 99 A V - 0 0 23 37,-0.0 -63,-1.8 2,-0.0 2,-0.4 -0.577 34.3-142.9-112.6 154.9 61.7 -27.0 15.3 101 100 A I E -cd 37 137A 0 35,-2.2 37,-3.1 -2,-0.2 2,-0.6 -0.929 9.2-146.5-117.6 147.0 60.2 -23.8 16.7 102 101 A S E +cd 38 138A 2 -65,-0.8 -63,-1.5 -2,-0.4 2,-0.4 -0.954 18.1 178.7-115.9 118.6 59.7 -20.4 14.9 103 102 A T E - d 0 139A 0 35,-2.4 37,-3.5 -2,-0.6 2,-0.4 -0.970 20.3-135.6-121.6 135.2 60.1 -17.2 17.0 104 103 A E E - d 0 140A 11 -2,-0.4 37,-0.2 35,-0.2 3,-0.1 -0.745 10.3-125.9-102.9 134.4 59.7 -13.9 15.4 105 104 A V - 0 0 5 35,-2.3 37,-0.1 -2,-0.4 5,-0.1 -0.369 50.8 -76.2 -64.4 147.8 61.9 -10.8 15.8 106 105 A D > - 0 0 6 1,-0.2 3,-1.9 -27,-0.1 -1,-0.2 -0.263 43.5-140.4 -38.8 116.3 60.3 -7.5 16.9 107 106 A A G > S+ 0 0 3 1,-0.3 3,-2.1 203,-0.2 204,-0.2 0.711 93.9 77.7 -68.3 -19.6 58.7 -6.4 13.6 108 107 A R G 3 S+ 0 0 89 1,-0.3 3,-0.4 202,-0.1 -1,-0.3 0.688 88.5 62.2 -59.7 -15.5 59.7 -2.7 14.2 109 108 A L G X S+ 0 0 35 -3,-1.9 3,-2.2 1,-0.2 7,-0.3 0.391 71.9 111.5 -86.4 1.6 63.2 -3.9 13.1 110 109 A S T < S+ 0 0 4 -3,-2.1 37,-0.3 1,-0.3 -1,-0.2 0.720 77.2 41.6 -58.8 -31.3 61.9 -4.8 9.6 111 110 A F T 3 S+ 0 0 131 -3,-0.4 2,-0.4 -4,-0.1 -1,-0.3 0.191 102.9 78.2-101.9 22.4 63.6 -2.2 7.6 112 111 A D <> - 0 0 79 -3,-2.2 4,-1.7 1,-0.2 5,-0.1 -0.913 54.6-172.7-137.0 101.8 66.9 -2.4 9.4 113 112 A T H > S+ 0 0 32 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.938 84.7 45.5 -61.4 -53.5 69.2 -5.3 8.6 114 113 A Q H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 113.2 49.3 -63.3 -43.0 71.9 -4.9 11.3 115 114 A A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 111.8 52.3 -60.1 -37.4 69.4 -4.3 14.1 116 115 A T H X S+ 0 0 1 -4,-1.7 4,-2.6 -7,-0.3 -2,-0.2 0.963 109.2 46.3 -65.6 -52.8 67.6 -7.4 12.9 117 116 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.918 110.1 55.0 -61.6 -39.8 70.6 -9.7 12.9 118 117 A A H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.940 110.3 46.4 -50.0 -50.9 71.6 -8.4 16.3 119 118 A K H X S+ 0 0 20 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.866 109.6 53.6 -66.2 -39.1 68.1 -9.4 17.6 120 119 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.965 110.6 45.8 -59.0 -52.7 68.2 -12.8 16.0 121 120 A R H X S+ 0 0 104 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.916 112.4 53.7 -55.8 -44.1 71.6 -13.6 17.6 122 121 A K H X S+ 0 0 57 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.956 109.4 46.2 -51.7 -52.8 70.1 -12.3 20.8 123 122 A L H X S+ 0 0 3 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.885 112.5 50.9 -66.3 -37.2 67.1 -14.6 20.6 124 123 A I H >X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 3,-0.7 0.940 109.4 50.5 -58.7 -50.3 69.4 -17.5 19.7 125 124 A R H 3X S+ 0 0 134 -4,-3.1 4,-2.8 1,-0.3 5,-0.3 0.943 106.5 54.9 -56.6 -49.7 71.6 -16.8 22.8 126 125 A L H 3X S+ 0 0 10 -4,-2.8 4,-0.7 1,-0.2 -1,-0.3 0.808 109.5 48.2 -51.5 -31.4 68.5 -16.6 25.0 127 126 A Y H X<>S+ 0 0 0 -4,-1.1 5,-1.9 -3,-0.7 3,-0.6 0.906 107.9 52.7 -79.6 -41.5 67.6 -20.1 23.7 128 127 A Q H ><5S+ 0 0 76 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.927 106.4 55.4 -53.4 -46.9 71.2 -21.4 24.3 129 128 A D H 3<5S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 104.6 52.9 -51.3 -34.0 70.8 -20.1 27.9 130 129 A A T <<5S- 0 0 51 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.538 127.7-104.0 -87.8 -5.3 67.6 -22.2 28.3 131 130 A G T < 5S+ 0 0 66 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.746 74.5 138.1 96.7 31.6 69.7 -25.2 27.1 132 131 A I < - 0 0 30 -5,-1.9 -1,-0.3 -8,-0.2 -2,-0.1 -0.907 54.5-120.8-119.2 130.2 68.4 -25.5 23.6 133 132 A D > - 0 0 102 -2,-0.4 3,-1.9 1,-0.2 4,-0.1 -0.435 24.7-125.6 -69.4 137.3 70.5 -26.2 20.4 134 133 A S G > S+ 0 0 21 1,-0.3 3,-1.3 2,-0.2 26,-0.3 0.687 106.8 69.4 -55.1 -17.7 70.2 -23.4 17.9 135 134 A D G 3 S+ 0 0 87 1,-0.3 -1,-0.3 24,-0.1 -2,-0.0 0.759 86.7 63.9 -80.3 -22.6 69.2 -26.0 15.3 136 135 A R G < S+ 0 0 70 -3,-1.9 -35,-2.2 -36,-0.1 2,-0.4 0.384 100.2 81.6 -68.5 2.1 65.9 -26.5 17.1 137 136 A I E < -d 101 0A 1 -3,-1.3 2,-0.5 -37,-0.2 23,-0.4 -0.923 53.1-172.1-128.0 139.5 65.2 -22.9 16.2 138 137 A L E -d 102 0A 6 -37,-3.1 -35,-2.4 -2,-0.4 2,-0.6 -0.995 20.1-147.1-121.5 119.9 64.0 -20.8 13.3 139 138 A I E -de 103 161A 0 21,-2.7 23,-2.3 -2,-0.5 2,-0.4 -0.806 19.0-141.6 -88.0 125.4 64.2 -17.1 13.7 140 139 A K E +de 104 162A 5 -37,-3.5 -35,-2.3 -2,-0.6 2,-0.4 -0.777 23.6 177.2 -97.2 130.7 61.3 -15.5 11.9 141 140 A I E - e 0 163A 2 21,-2.0 23,-2.2 -2,-0.4 -35,-0.1 -0.986 36.0-106.4-131.9 134.6 61.8 -12.3 9.9 142 141 A A E - e 0 164A 3 -2,-0.4 2,-2.0 21,-0.2 23,-0.2 -0.365 40.1-115.1 -58.8 139.3 59.4 -10.2 7.8 143 142 A S + 0 0 0 21,-2.2 2,-0.2 4,-0.1 24,-0.1 -0.221 65.7 135.8 -83.2 52.5 60.4 -10.7 4.1 144 143 A T S > S- 0 0 4 -2,-2.0 4,-2.2 -34,-0.2 5,-0.2 -0.502 72.8-103.0 -82.5 168.2 61.5 -7.1 3.3 145 144 A W H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.960 125.8 49.0 -54.6 -51.5 64.7 -6.7 1.3 146 145 A E H > S+ 0 0 35 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.808 110.0 51.1 -55.1 -38.7 66.4 -5.7 4.5 147 146 A G H > S+ 0 0 0 -37,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.812 110.7 48.7 -73.0 -31.6 65.0 -8.7 6.3 148 147 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -3,-0.4 -2,-0.2 0.949 108.8 52.0 -74.3 -48.8 66.3 -11.0 3.6 149 148 A Q H X S+ 0 0 50 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.881 110.1 51.5 -48.2 -42.2 69.7 -9.3 3.7 150 149 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.978 107.6 50.9 -56.3 -55.4 69.7 -10.0 7.4 151 150 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.853 106.1 57.3 -54.0 -38.6 68.7 -13.7 6.7 152 151 A K H X S+ 0 0 105 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.977 109.5 43.1 -51.5 -62.4 71.7 -13.9 4.3 153 152 A I H X S+ 0 0 71 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.923 119.3 43.8 -50.0 -53.4 74.2 -12.8 7.0 154 153 A L H ><>S+ 0 0 0 -4,-2.6 5,-3.0 1,-0.2 3,-1.0 0.893 112.0 50.1 -65.2 -43.1 72.6 -15.1 9.6 155 154 A E H ><5S+ 0 0 25 -4,-3.2 3,-3.1 1,-0.3 -1,-0.2 0.945 103.5 62.3 -63.1 -43.2 72.2 -18.1 7.5 156 155 A A H 3<5S+ 0 0 92 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.707 108.9 42.5 -55.5 -22.1 75.8 -17.8 6.4 157 156 A E T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.114 127.8 -97.7-110.8 20.2 76.8 -18.3 10.1 158 157 A G T < 5S+ 0 0 31 -3,-3.1 2,-0.6 1,-0.3 -3,-0.2 0.689 78.7 134.8 77.0 19.9 74.4 -21.1 10.6 159 158 A I < - 0 0 11 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.3 -0.921 51.8-135.3 -94.5 123.8 71.5 -19.3 12.2 160 159 A H - 0 0 54 -2,-0.6 -21,-2.7 -23,-0.4 2,-0.4 -0.629 18.3-151.1 -89.4 136.7 68.4 -20.6 10.5 161 160 A C E -e 139 0A 0 -2,-0.3 21,-2.3 -23,-0.2 2,-0.7 -0.842 19.7-157.4-114.6 139.4 65.6 -18.4 9.3 162 161 A N E -ef 140 182A 0 -23,-2.3 -21,-2.0 -2,-0.4 2,-0.8 -0.946 23.3-153.4 -97.7 105.3 61.9 -18.5 8.7 163 162 A L E -ef 141 183A 0 19,-3.0 21,-2.9 -2,-0.7 -21,-0.2 -0.739 25.8-179.1 -85.7 111.7 61.2 -15.7 6.1 164 163 A T E +ef 142 184A 0 -23,-2.2 -21,-2.2 -2,-0.8 3,-0.1 -0.311 47.6 50.8-111.9-177.1 57.6 -14.7 6.7 165 164 A L E S+ 0 0 0 19,-0.5 2,-0.6 1,-0.2 -1,-0.2 0.908 72.7 170.3 48.9 47.4 54.9 -12.3 5.5 166 165 A L E + f 0 185A 0 18,-1.1 20,-1.5 -3,-0.2 -1,-0.2 -0.782 16.1 156.7 -94.2 123.7 55.8 -13.6 2.0 167 166 A F + 0 0 1 -2,-0.6 2,-0.3 18,-0.2 -1,-0.1 0.364 51.9 46.5-126.4 4.0 53.3 -12.5 -0.7 168 167 A H S > S- 0 0 36 1,-0.1 4,-2.3 131,-0.1 -1,-0.1 -0.995 70.4-118.4-160.3 152.8 55.2 -12.7 -3.9 169 168 A F H > S+ 0 0 51 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.875 112.6 57.8 -52.6 -44.6 57.5 -14.5 -6.3 170 169 A A H > S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.937 106.9 46.7 -62.3 -45.9 60.1 -11.7 -6.0 171 170 A Q H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.942 112.5 53.4 -56.8 -43.1 60.4 -12.2 -2.3 172 171 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.922 110.9 44.0 -57.3 -47.1 60.6 -16.0 -3.0 173 172 A Q H X S+ 0 0 23 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.960 115.1 48.2 -66.4 -48.4 63.4 -15.7 -5.4 174 173 A A H X S+ 0 0 4 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.904 110.5 51.9 -59.0 -42.4 65.3 -13.2 -3.3 175 174 A C H <>S+ 0 0 0 -4,-2.9 5,-2.2 -5,-0.3 -1,-0.2 0.907 113.6 43.6 -61.3 -40.6 64.9 -15.4 -0.2 176 175 A A H ><5S+ 0 0 8 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.931 109.0 56.1 -75.7 -44.4 66.2 -18.4 -2.0 177 176 A E H 3<5S+ 0 0 49 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 106.1 54.3 -57.0 -24.6 69.1 -16.6 -3.7 178 177 A A T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.294 120.2-108.1 -97.1 10.2 70.2 -15.5 -0.2 179 178 A G T < 5 + 0 0 45 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.722 52.1 178.5 78.5 23.1 70.3 -19.0 1.1 180 179 A T < - 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