==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-04 1U5J . COMPND 2 MOLECULE: TRANSCARBOXYLASE 5S SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII . AUTHOR P.R.HALL,R.ZHENG,L.ANTONY,M.PUSZTAI-CAREY,P.R.CAREY,V.C.YEE . 471 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 1 0.2 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 . 23 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 2 0 1 6 1 1 2 1 1 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 4 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 4 A R 0 0 295 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.8 93.6 53.1 -26.1 2 5 A E - 0 0 188 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.949 360.0-163.3-122.4 139.0 94.2 53.2 -22.4 3 6 A I - 0 0 95 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.966 18.9-135.8-125.4 116.2 93.2 50.5 -19.8 4 7 A E - 0 0 141 -2,-0.5 2,-0.3 226,-0.0 -2,-0.0 -0.529 28.9-174.4 -71.7 125.9 93.1 51.5 -16.1 5 8 A V - 0 0 59 -2,-0.3 225,-0.2 1,-0.1 224,-0.1 -0.855 27.1 -96.2-122.0 160.0 94.8 48.8 -13.9 6 9 A S - 0 0 24 223,-2.6 225,-0.1 -2,-0.3 3,-0.1 -0.218 47.8 -93.2 -71.0 160.6 95.1 48.4 -10.2 7 10 A E - 0 0 149 1,-0.2 -1,-0.1 224,-0.0 224,-0.0 -0.220 55.6 -74.9 -71.3 163.1 98.3 49.5 -8.3 8 11 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 255,-0.2 -0.298 73.3 137.6 -57.5 137.0 101.2 47.1 -7.6 9 12 A R E -a 263 0A 63 253,-0.8 255,-2.0 -3,-0.1 2,-0.3 -0.992 55.1 -82.7-171.6 168.7 100.3 44.6 -4.8 10 13 A E E -a 264 0A 127 -2,-0.3 2,-0.4 253,-0.2 255,-0.3 -0.664 38.5-147.5 -82.3 142.1 100.4 41.1 -3.4 11 14 A V - 0 0 5 253,-3.4 2,-0.3 -2,-0.3 255,-0.2 -0.886 14.3-129.5-108.3 140.8 97.7 38.8 -4.7 12 15 A G E -b 234 0B 16 221,-2.3 223,-2.1 -2,-0.4 2,-0.4 -0.647 18.5-154.2 -90.1 150.6 96.4 36.1 -2.4 13 16 A I E -b 235 0B 2 -2,-0.3 35,-3.1 33,-0.3 36,-1.0 -0.970 6.1-157.1-126.1 140.5 96.1 32.5 -3.5 14 17 A T E -bc 236 49B 0 221,-1.6 223,-2.7 -2,-0.4 2,-0.3 -0.972 16.9-141.8-115.1 118.0 93.8 29.7 -2.2 15 18 A E E -bc 237 50B 0 34,-1.4 36,-2.0 -2,-0.5 223,-0.2 -0.642 18.7-178.9 -78.5 136.6 95.0 26.2 -2.8 16 19 A L > > + 0 0 0 221,-1.6 3,-2.4 -2,-0.3 5,-2.2 0.381 51.5 104.3-116.7 0.3 92.2 23.8 -3.8 17 20 A V T 3 >S+ 0 0 0 1,-0.3 5,-0.7 220,-0.3 -1,-0.1 0.849 78.1 58.3 -55.4 -34.1 94.1 20.5 -4.1 18 21 A L T 3 5S- 0 0 1 33,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.490 129.6 -4.5 -77.8 1.0 92.8 19.2 -0.8 19 22 A R T <>5S+ 0 0 0 -3,-2.4 4,-1.7 32,-0.0 5,-0.2 0.277 131.0 33.8-151.2 -76.9 89.1 19.6 -1.8 20 23 A D H >5S+ 0 0 0 31,-0.2 4,-2.5 2,-0.2 5,-0.3 0.864 111.8 60.4 -65.8 -38.2 87.8 21.0 -5.1 21 24 A A H >< S- 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 264,-0.1 -0.091 107.5-100.3-127.8 39.0 88.7 12.4 -9.6 27 30 A A T 3 S- 0 0 41 -4,-0.4 -4,-0.3 1,-0.3 -3,-0.1 0.808 71.0 -69.4 51.4 40.4 85.1 12.4 -8.3 28 31 A T T 3 S+ 0 0 11 -6,-1.9 -1,-0.3 -8,-0.1 -5,-0.2 0.651 102.2 131.0 59.3 14.8 86.1 13.5 -4.7 29 32 A R < + 0 0 45 -3,-2.0 431,-0.4 -7,-0.5 -1,-0.1 0.573 24.2 129.7 -78.3 -7.1 87.7 10.0 -4.4 30 33 A M - 0 0 0 -11,-0.1 2,-0.2 -8,-0.1 5,-0.0 -0.212 55.2-132.4 -51.7 130.4 91.0 11.2 -3.0 31 34 A A - 0 0 0 1,-0.1 4,-0.4 426,-0.0 428,-0.1 -0.504 7.7-126.6 -86.9 155.6 92.0 9.3 0.2 32 35 A M S >> S+ 0 0 18 426,-0.3 4,-2.4 1,-0.2 3,-1.3 0.878 109.6 53.6 -71.6 -38.8 93.2 11.0 3.4 33 36 A E H 3> S+ 0 0 145 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.858 106.1 56.0 -64.4 -29.9 96.4 8.9 3.7 34 37 A D H 34 S+ 0 0 9 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.642 115.9 37.5 -74.3 -12.3 97.2 10.0 0.1 35 38 A M H X4 S+ 0 0 0 -3,-1.3 3,-2.8 -4,-0.4 4,-0.4 0.846 94.4 74.0-106.8 -46.4 96.9 13.7 1.2 36 39 A V H >X S+ 0 0 49 -4,-2.4 3,-1.3 1,-0.3 4,-0.5 0.717 85.7 71.9 -45.0 -29.2 98.3 14.2 4.8 37 40 A G T 3< S+ 0 0 47 -4,-0.5 -1,-0.3 1,-0.2 4,-0.3 0.705 100.3 44.1 -64.0 -16.5 101.8 13.9 3.4 38 41 A A T <> S+ 0 0 0 -3,-2.8 4,-2.9 2,-0.1 -1,-0.2 0.410 87.7 93.5-105.2 -0.0 101.6 17.3 1.7 39 42 A C H <> S+ 0 0 0 -3,-1.3 4,-3.0 -4,-0.4 5,-0.2 0.947 83.5 49.5 -62.8 -49.9 100.0 19.1 4.7 40 43 A A H X S+ 0 0 61 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.940 115.6 43.5 -54.3 -50.7 103.2 20.4 6.3 41 44 A D H > S+ 0 0 29 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.938 113.8 50.7 -62.0 -45.8 104.4 21.8 2.9 42 45 A I H >X S+ 0 0 1 -4,-2.9 3,-0.7 1,-0.2 4,-0.6 0.893 108.6 53.3 -58.1 -38.9 101.0 23.2 2.1 43 46 A D H 3< S+ 0 0 24 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.871 114.7 40.6 -65.1 -35.2 101.0 24.9 5.6 44 47 A A H 3< S+ 0 0 40 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.461 92.1 90.6 -93.4 -0.1 104.4 26.5 4.9 45 48 A A H << S- 0 0 2 -4,-0.9 223,-2.8 -3,-0.7 -1,-0.2 0.929 95.2-118.5 -63.1 -47.2 103.5 27.4 1.2 46 49 A G < + 0 0 44 -4,-0.6 -33,-0.3 -3,-0.2 -3,-0.1 0.662 50.1 164.7 113.7 26.1 102.1 30.8 2.0 47 50 A Y - 0 0 25 -5,-0.5 37,-0.3 1,-0.1 -33,-0.2 -0.330 44.2-132.5 -73.0 151.9 98.5 30.5 0.8 48 51 A W S S- 0 0 42 -35,-3.1 2,-0.3 1,-0.3 36,-0.2 0.923 90.1 -11.9 -69.1 -42.3 95.8 33.0 1.8 49 52 A S E -c 14 0B 0 -36,-1.0 -34,-1.4 34,-0.1 2,-0.5 -0.981 61.5-135.0-153.7 158.2 93.6 30.0 2.6 50 53 A V E -cd 15 85B 1 34,-3.0 36,-2.5 -2,-0.3 2,-0.8 -0.938 15.5-147.2-121.8 108.3 93.5 26.3 2.1 51 54 A E E + d 0 86B 0 -36,-2.0 -33,-0.2 -2,-0.5 36,-0.2 -0.623 39.3 147.4 -74.8 111.8 90.2 24.8 1.0 52 55 A C E + 0 0 1 34,-2.2 2,-0.3 -2,-0.8 35,-0.2 0.201 53.9 33.1-133.3 21.4 90.1 21.4 2.6 53 56 A W E S+ d 0 87B 0 33,-0.8 35,-1.2 20,-0.0 2,-0.2 -0.979 78.3 51.6-164.5 170.6 86.4 20.6 3.4 54 57 A G E >> S+ d 0 88B 0 -2,-0.3 3,-1.7 33,-0.3 4,-0.6 -0.601 70.3 76.9 92.4-157.5 82.8 21.1 2.3 55 58 A G T >4 S- 0 0 19 33,-1.2 3,-0.7 1,-0.2 4,-0.4 -0.075 117.9 -32.3 48.8-148.5 81.5 20.3 -1.2 56 59 A A T 3> S+ 0 0 34 1,-0.2 4,-3.1 2,-0.1 -1,-0.2 0.363 118.3 92.2 -86.5 9.1 81.0 16.6 -1.9 57 60 A T H <> S+ 0 0 0 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.880 81.3 56.3 -70.2 -35.9 83.9 15.6 0.4 58 61 A Y H S+ 0 0 33 -4,-0.4 4,-3.3 1,-0.2 5,-0.4 0.942 114.7 51.8 -66.6 -48.8 79.5 12.7 1.3 60 63 A S H X>S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 5,-1.3 0.797 105.3 57.9 -64.4 -25.0 82.4 11.0 -0.3 61 64 A C H <5S+ 0 0 0 -4,-2.1 6,-3.4 -5,-0.2 4,-0.3 0.939 119.2 27.6 -69.0 -44.6 84.1 10.4 3.1 62 65 A I H <5S+ 0 0 7 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.795 124.5 47.9 -89.3 -27.7 81.1 8.5 4.5 63 66 A R H <5S+ 0 0 117 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.829 132.7 5.0 -85.7 -30.0 79.7 7.0 1.3 64 67 A F T <5S+ 0 0 76 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.615 131.2 43.7-128.8 -19.8 82.9 5.7 -0.4 65 68 A L S > - 0 0 16 -2,-0.3 4,-2.1 1,-0.2 3,-1.4 -0.845 14.6-152.8 -95.5 112.5 84.6 10.5 9.3 69 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.881 97.5 53.9 -49.5 -43.5 84.6 14.0 7.7 70 73 A W H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.802 108.1 50.3 -64.4 -27.0 84.9 15.6 11.2 71 74 A E H <> S+ 0 0 93 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.889 108.4 52.3 -76.9 -36.4 88.0 13.4 11.7 72 75 A R H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.919 112.5 45.7 -61.1 -44.7 89.4 14.6 8.4 73 76 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.952 110.4 51.6 -65.3 -50.5 88.8 18.2 9.5 74 77 A R H X S+ 0 0 88 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.851 112.9 48.0 -58.5 -30.6 90.3 17.7 13.0 75 78 A T H X S+ 0 0 28 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.949 111.5 47.0 -75.1 -47.2 93.4 16.2 11.3 76 79 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.915 111.0 53.9 -58.6 -40.6 93.8 18.9 8.7 77 80 A R H < S+ 0 0 58 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.9 42.3 -59.0 -38.9 93.4 21.4 11.5 78 81 A K H < S+ 0 0 141 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.844 116.4 45.7 -77.0 -38.9 96.2 19.7 13.4 79 82 A L H < S+ 0 0 58 -4,-2.9 -2,-0.2 1,-0.3 -36,-0.2 0.682 119.5 40.4 -81.6 -22.5 98.6 19.1 10.4 80 83 A M >< + 0 0 0 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.3 -0.574 69.8 158.1-125.2 69.1 98.2 22.7 9.1 81 84 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.640 71.7 46.4 -67.1 -17.4 98.2 24.8 12.3 82 85 A N T 3 S+ 0 0 138 2,-0.1 2,-0.2 0, 0.0 -5,-0.0 0.510 96.9 94.4-103.4 -2.4 99.2 28.1 10.8 83 86 A S S < S- 0 0 17 -3,-0.9 2,-0.9 -6,-0.1 -34,-0.1 -0.549 76.1-120.2 -99.9 154.5 96.8 28.1 7.8 84 87 A R - 0 0 114 -37,-0.3 -34,-3.0 -36,-0.2 2,-0.2 -0.798 33.2-146.2 -86.1 106.4 93.4 29.5 7.3 85 88 A L E -d 50 0B 0 -2,-0.9 34,-3.2 31,-0.4 33,-1.0 -0.506 18.0-167.5 -73.5 142.9 91.2 26.4 6.5 86 89 A Q E -de 51 119B 0 -36,-2.5 -34,-2.2 32,-0.2 -33,-0.8 -0.949 8.4-179.7-132.3 153.5 88.4 27.1 4.0 87 90 A M E -de 53 120B 0 32,-1.6 34,-2.8 -2,-0.3 2,-0.4 -0.954 27.4-118.0-148.1 163.2 85.3 25.1 3.0 88 91 A L E -de 54 121B 10 -35,-1.2 -33,-1.2 -2,-0.3 2,-0.4 -0.914 29.5-178.6-107.5 130.7 82.3 25.3 0.7 89 92 A L E - e 0 122B 0 32,-2.6 2,-2.6 -2,-0.4 34,-2.4 -0.968 26.3-141.6-135.7 117.5 78.8 25.3 2.3 90 93 A R > - 0 0 43 4,-2.1 3,-2.3 -2,-0.4 4,-0.2 -0.315 43.0-121.5 -81.7 63.7 75.6 25.5 0.2 91 94 A G G > S+ 0 0 0 -2,-2.6 3,-1.5 1,-0.3 41,-0.2 -0.073 86.8 5.5 44.1-120.4 73.9 27.8 2.6 92 95 A Q G 3 S+ 0 0 0 39,-1.4 8,-1.3 1,-0.3 -1,-0.3 0.475 132.7 58.4 -73.1 -3.2 70.6 26.6 4.2 93 96 A N G X S- 0 0 9 -3,-2.3 3,-2.9 1,-0.2 -1,-0.3 0.457 83.6-175.0-101.9 -6.6 71.3 23.3 2.4 94 97 A L T < - 0 0 1 -3,-1.5 -4,-2.1 1,-0.3 -1,-0.2 -0.246 69.8 -40.3 49.0-111.0 74.6 22.9 4.2 95 98 A L T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 -2,-0.1 -36,-0.1 0.123 118.0 107.3-127.4 14.3 76.1 19.8 2.6 96 99 A G S < S- 0 0 8 -3,-2.9 345,-0.1 2,-0.2 346,-0.1 -0.098 80.8-111.7 -88.0-174.9 72.7 18.0 2.6 97 100 A Y S S+ 0 0 140 344,-0.5 2,-0.3 2,-0.1 -3,-0.1 0.467 96.8 21.1 -97.2 -8.3 70.1 17.0 0.0 98 101 A R S S- 0 0 72 -5,-0.3 -2,-0.2 343,-0.1 -3,-0.1 -0.911 93.0 -80.9-149.2 174.2 67.4 19.5 1.3 99 102 A H - 0 0 17 -2,-0.3 2,-0.3 309,-0.1 -6,-0.2 -0.341 46.1-153.3 -73.1 167.3 67.1 22.7 3.3 100 103 A Y - 0 0 0 -8,-1.3 -6,-0.1 -4,-0.1 312,-0.1 -0.947 24.3 -88.0-139.6 160.4 67.2 22.4 7.1 101 104 A N > - 0 0 18 -2,-0.3 4,-1.5 312,-0.2 3,-0.4 -0.291 46.0-106.3 -64.1 154.6 65.8 24.4 10.0 102 105 A D H > S+ 0 0 40 307,-0.3 4,-3.4 1,-0.2 5,-0.2 0.826 118.3 66.7 -53.4 -32.4 68.0 27.2 11.3 103 106 A E H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.971 101.4 46.3 -51.0 -60.3 68.8 25.0 14.3 104 107 A V H > S+ 0 0 0 -3,-0.4 4,-3.3 1,-0.2 -1,-0.2 0.947 113.6 49.2 -46.2 -58.4 70.6 22.4 12.2 105 108 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.4 0.927 110.6 50.0 -49.2 -54.8 72.5 25.2 10.4 106 109 A D H X S+ 0 0 38 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.942 114.4 44.8 -52.2 -48.9 73.5 26.9 13.7 107 110 A R H X S+ 0 0 91 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.923 113.8 49.3 -64.3 -43.9 74.8 23.5 15.0 108 111 A F H X S+ 0 0 0 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.986 116.0 40.7 -58.9 -59.3 76.6 22.6 11.8 109 112 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.919 114.9 55.1 -53.8 -44.4 78.4 25.9 11.5 110 113 A D H X S+ 0 0 79 -4,-2.6 4,-2.4 -5,-0.4 -1,-0.2 0.917 111.9 41.7 -54.8 -49.9 79.0 25.9 15.3 111 114 A K H X S+ 0 0 32 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.832 112.3 55.5 -69.7 -34.4 80.7 22.4 15.1 112 115 A S H <>S+ 0 0 0 -4,-2.6 5,-2.2 -5,-0.2 -2,-0.2 0.934 113.3 40.0 -65.5 -46.2 82.7 23.3 12.0 113 116 A A H ><5S+ 0 0 10 -4,-2.8 3,-2.6 3,-0.2 -2,-0.2 0.955 112.4 56.3 -66.5 -47.1 84.2 26.4 13.6 114 117 A E H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.841 107.8 50.0 -52.2 -35.9 84.7 24.5 16.9 115 118 A N T 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.430 132.5 -87.3 -87.4 1.5 86.7 21.9 15.0 116 119 A G T < 5S+ 0 0 9 -3,-2.6 -31,-0.4 1,-0.3 2,-0.2 0.472 71.3 147.3 117.2 -4.1 88.9 24.5 13.3 117 120 A M < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -31,-0.1 -0.478 17.5 179.6 -69.5 132.4 87.4 25.9 10.0 118 121 A D + 0 0 36 -33,-1.0 27,-1.8 1,-0.3 2,-0.5 0.859 62.3 39.3-104.1 -45.6 88.3 29.5 9.5 119 122 A V E -ef 86 145B 1 -34,-3.2 -32,-1.6 25,-0.2 2,-0.6 -0.916 62.7-164.7-113.3 127.4 86.8 30.7 6.2 120 123 A F E -ef 87 146B 0 25,-2.5 27,-2.1 -2,-0.5 2,-1.1 -0.909 6.0-159.9-112.0 110.5 83.3 29.6 5.2 121 124 A R E -ef 88 147B 0 -34,-2.8 -32,-2.6 -2,-0.6 2,-0.5 -0.782 17.8-167.9 -88.1 98.9 82.4 30.1 1.5 122 125 A V E +ef 89 148B 0 25,-2.0 27,-1.9 -2,-1.1 2,-0.3 -0.775 14.3 166.6 -90.8 125.5 78.6 30.1 1.7 123 126 A F - 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0 0 59 -50,-1.1 4,-2.8 -2,-0.3 3,-0.4 -0.224 35.9-151.0 -47.3 101.0 56.8 31.8 -16.5 389 392 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.852 95.5 61.7 -47.2 -32.8 53.6 32.5 -14.6 390 393 A K H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.977 110.0 37.1 -54.2 -60.2 52.0 30.1 -17.1 391 394 A V H > S+ 0 0 3 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.868 112.0 59.4 -62.7 -41.3 54.2 27.2 -16.0 392 395 A V H X S+ 0 0 29 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.964 107.4 47.2 -51.7 -52.7 54.1 28.2 -12.3 393 396 A K H X S+ 0 0 122 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.944 111.8 50.8 -52.4 -50.7 50.3 27.8 -12.4 394 397 A L H X S+ 0 0 70 -4,-2.0 4,-3.2 -5,-0.2 -1,-0.2 0.882 107.4 54.0 -57.4 -42.5 50.7 24.5 -14.2 395 398 A A H >X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 3,-0.5 0.993 109.1 46.0 -54.7 -66.5 53.1 23.3 -11.5 396 399 A E H 3< S+ 0 0 81 -4,-2.1 4,-0.4 1,-0.3 -1,-0.2 0.821 116.0 49.7 -45.1 -35.3 50.8 24.0 -8.6 397 400 A E H 3< S+ 0 0 112 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.914 113.2 43.9 -74.9 -40.5 48.1 22.3 -10.7 398 401 A Q H << S+ 0 0 92 -4,-3.2 -2,-0.2 -3,-0.5 -3,-0.2 0.973 127.5 26.3 -69.6 -53.9 50.1 19.2 -11.5 399 402 A S S < S- 0 0 50 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.995 94.2-129.7 -72.4 -69.5 51.5 18.6 -8.0 400 403 A G + 0 0 63 -4,-0.4 -4,-0.1 -5,-0.3 -3,-0.1 0.305 58.3 136.4 129.2 1.5 49.0 20.2 -5.7 401 404 A K - 0 0 82 -6,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.378 58.3-106.2 -80.2 159.9 51.5 22.3 -3.7 402 405 A K - 0 0 120 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.613 32.5-119.1 -82.3 134.1 51.1 25.9 -2.6 403 406 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.668 38.9-179.2 -79.7 123.8 53.2 28.5 -4.5 404 407 A I - 0 0 16 -27,-2.2 -23,-0.1 -2,-0.5 3,-0.0 -0.785 26.3-177.3-120.2 165.2 55.5 30.3 -2.1 405 408 A T + 0 0 115 -2,-0.3 2,-0.2 2,-0.1 -23,-0.1 0.291 55.6 95.1-142.1 4.3 58.1 33.1 -2.5 406 409 A Q S S- 0 0 109 1,-0.1 5,-0.1 -25,-0.1 -25,-0.1 -0.591 97.2 -62.2 -98.4 163.6 59.6 33.6 1.0 407 410 A R >> - 0 0 25 -2,-0.2 3,-3.1 1,-0.2 4,-0.5 -0.189 49.4-135.8 -44.6 113.0 62.8 31.9 2.3 408 411 A P T 34 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -309,-0.1 0.569 101.9 63.0 -51.4 -9.3 61.9 28.2 2.1 409 412 A A T >4 S+ 0 0 3 1,-0.2 3,-1.2 2,-0.1 -307,-0.3 0.611 84.1 74.9 -93.0 -14.7 63.4 27.8 5.6 410 413 A D T <4 S+ 0 0 93 -3,-3.1 -1,-0.2 1,-0.3 -3,-0.1 0.883 97.1 47.4 -64.5 -39.2 60.9 30.1 7.3 411 414 A L T 3< S+ 0 0 86 -4,-0.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.109 91.2 109.8 -95.1 36.2 58.2 27.4 7.1 412 415 A L < - 0 0 55 -3,-1.2 -310,-0.2 -312,-0.1 3,-0.1 -0.956 62.6-132.0-116.8 134.2 60.4 24.7 8.5 413 416 A P - 0 0 85 0, 0.0 -312,-0.2 0, 0.0 2,-0.1 -0.294 35.5 -86.8 -77.0 157.5 59.9 23.1 12.0 414 417 A P + 0 0 99 0, 0.0 4,-0.1 0, 0.0 -312,-0.0 -0.479 51.4 169.6 -64.0 134.9 62.7 22.6 14.6 415 418 A E > + 0 0 20 -2,-0.1 4,-2.5 2,-0.1 5,-0.2 0.430 42.8 97.5-130.4 -1.8 64.1 19.2 13.7 416 419 A W H >> S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 3,-1.1 0.973 86.8 43.3 -54.0 -73.5 67.3 18.8 15.8 417 420 A E H 3> S+ 0 0 140 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.878 114.1 53.3 -37.8 -55.4 65.9 16.7 18.7 418 421 A K H 3> S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.897 111.6 45.8 -50.0 -45.3 64.0 14.5 16.3 419 422 A Q H < S+ 0 0 51 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.825 113.9 52.9 -65.3 -35.4 66.6 8.8 15.6 423 426 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.783 96.7 68.1 -73.0 -25.9 70.4 8.9 15.4 424 427 A A T 3< S+ 0 0 64 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.1 0.084 96.6 56.6 -81.7 26.4 70.7 7.6 18.9 425 428 A T T < S+ 0 0 108 -3,-0.8 2,-0.5 2,-0.1 -1,-0.2 0.268 80.0 103.0-136.3 5.1 69.4 4.3 17.7 426 429 A L S X S- 0 0 35 -3,-1.4 3,-2.3 1,-0.0 -3,-0.0 -0.834 78.1-115.4 -97.5 124.0 71.9 3.5 15.0 427 430 A K T 3 S+ 0 0 156 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.320 103.6 28.5 -56.3 130.7 74.6 0.9 15.9 428 431 A G T 3 S+ 0 0 36 1,-0.3 -1,-0.3 23,-0.1 23,-0.0 0.111 83.4 143.2 103.8 -22.6 78.0 2.6 15.9 429 432 A F < - 0 0 47 -3,-2.3 -1,-0.3 -6,-0.2 -5,-0.0 -0.114 38.1-157.9 -49.1 147.1 76.6 6.1 16.8 430 433 A N - 0 0 76 2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.452 33.2-118.3-111.9 -3.0 79.0 7.9 19.1 431 434 A G + 0 0 49 1,-0.3 2,-0.1 -8,-0.1 -7,-0.1 0.399 69.3 129.3 85.2 -5.9 76.5 10.4 20.7 432 435 A T S > S- 0 0 54 1,-0.1 4,-1.4 4,-0.0 -1,-0.3 -0.404 71.8-119.8 -79.3 159.4 78.2 13.6 19.4 433 436 A D H > S+ 0 0 46 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.853 115.3 65.7 -65.2 -29.6 76.2 16.3 17.6 434 437 A E H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.973 101.4 43.7 -53.1 -61.1 78.7 15.5 14.8 435 438 A D H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.832 114.0 53.8 -56.6 -29.9 77.4 11.9 14.3 436 439 A V H X S+ 0 0 3 -4,-1.4 4,-2.4 2,-0.2 3,-0.3 0.941 106.1 50.8 -69.6 -44.6 73.9 13.5 14.6 437 440 A L H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 5,-0.3 0.927 106.9 55.3 -57.9 -43.1 74.7 16.0 11.8 438 441 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 8,-0.4 0.870 110.1 45.5 -58.2 -38.0 75.9 13.1 9.6 439 442 A Y H < S+ 0 0 31 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.890 113.1 49.7 -73.3 -37.4 72.5 11.3 10.1 440 443 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.853 118.9 38.8 -68.7 -35.6 70.5 14.6 9.5 441 444 A L H < S+ 0 0 2 -4,-2.8 -344,-0.5 -5,-0.2 -2,-0.2 0.920 133.2 22.0 -81.3 -45.6 72.5 15.3 6.3 442 445 A F >X + 0 0 25 -4,-2.7 4,-3.0 -5,-0.3 3,-0.8 -0.597 64.9 165.0-126.3 72.7 72.8 11.6 5.0 443 446 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.759 80.1 50.5 -56.6 -27.4 69.9 9.6 6.6 444 447 A Q T 34 S+ 0 0 171 2,-0.1 4,-0.4 1,-0.1 -5,-0.1 0.762 120.0 32.9 -86.3 -25.5 70.5 6.8 4.0 445 448 A V T X> S+ 0 0 15 -3,-0.8 4,-2.3 -7,-0.2 3,-0.5 0.861 98.1 77.8 -97.3 -45.9 74.2 6.5 4.5 446 449 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.2 -8,-0.4 5,-0.2 0.788 94.1 56.0 -36.0 -40.3 74.7 7.3 8.2 447 450 A P H 3> S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.986 111.7 37.2 -61.4 -58.0 73.4 3.8 9.1 448 451 A V H <> S+ 0 0 86 -3,-0.5 4,-1.1 -4,-0.4 -2,-0.2 0.884 118.4 51.4 -61.6 -41.0 75.9 1.8 7.1 449 452 A F H >X S+ 0 0 4 -4,-2.3 4,-3.3 1,-0.2 3,-0.9 0.944 106.1 52.9 -63.5 -49.9 78.8 4.2 7.8 450 453 A F H 3< S+ 0 0 5 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.814 110.1 50.7 -56.1 -30.4 78.3 4.1 11.6 451 454 A E H 3< S+ 0 0 108 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.748 121.2 31.6 -82.4 -21.6 78.4 0.3 11.5 452 455 A H H X< S+ 0 0 63 -4,-1.1 3,-3.5 -3,-0.9 4,-0.3 0.680 88.6 95.6-109.6 -18.9 81.7 0.2 9.5 453 456 A R G >< S+ 0 0 45 -4,-3.3 3,-2.2 1,-0.3 -3,-0.1 0.790 77.1 66.0 -42.6 -37.1 83.5 3.3 10.7 454 457 A A G 3 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.765 87.2 70.5 -60.7 -21.8 85.4 1.2 13.3 455 458 A E G < S- 0 0 113 -3,-3.5 -1,-0.3 1,-0.1 -2,-0.2 0.611 110.1-121.4 -69.4 -12.6 87.1 -0.5 10.3 456 459 A G < - 0 0 24 -3,-2.2 -1,-0.1 -4,-0.3 -2,-0.1 0.119 39.4 -52.7 87.2 155.1 89.0 2.7 9.7 457 460 A P - 0 0 81 0, 0.0 -391,-0.2 0, 0.0 2,-0.2 -0.284 59.7-169.5 -64.1 150.1 89.0 4.8 6.5 458 461 A H - 0 0 86 -393,-2.8 2,-0.3 -425,-0.0 -426,-0.3 -0.500 13.9-122.0-123.5-166.9 89.8 3.0 3.3 459 462 A S - 0 0 45 -2,-0.2 -429,-0.1 -428,-0.1 -394,-0.0 -0.986 8.9-161.1-143.2 148.6 90.6 3.9 -0.4 460 463 A V + 0 0 60 -431,-0.4 2,-0.2 -2,-0.3 -430,-0.1 0.094 63.0 110.7-113.6 16.5 89.0 3.0 -3.7 461 464 A A S S- 0 0 13 -432,-0.1 -175,-0.2 1,-0.1 -2,-0.1 -0.553 81.6 -91.8 -89.7 157.2 92.2 4.0 -5.6 462 465 A L - 0 0 22 -177,-2.7 2,-0.2 -2,-0.2 -1,-0.1 -0.357 45.4-119.1 -64.6 147.5 94.4 1.5 -7.4 463 466 A T >> - 0 0 68 1,-0.1 4,-2.5 -3,-0.1 3,-1.2 -0.566 22.8-109.3 -88.3 157.0 97.2 0.2 -5.2 464 467 A D H 3> S+ 0 0 107 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.814 125.8 58.4 -53.6 -23.6 100.9 0.7 -6.1 465 468 A A H 3> S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.864 106.9 45.2 -71.6 -37.3 100.6 -3.1 -6.7 466 469 A Q H <> S+ 0 0 92 -3,-1.2 4,-0.7 2,-0.2 5,-0.3 0.885 106.2 56.6 -76.8 -41.5 97.8 -2.6 -9.2 467 470 A L H >X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 3,-0.6 0.948 114.6 43.6 -52.5 -45.7 99.4 0.3 -11.1 468 471 A K H 3< S+ 0 0 155 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.983 109.4 51.5 -59.6 -68.0 102.4 -2.1 -11.6 469 472 A A H 3< S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.513 120.3 40.0 -54.6 -5.1 100.5 -5.3 -12.5 470 473 A E H << 0 0 106 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.773 360.0 360.0-107.9 -68.5 98.6 -3.2 -15.2 471 474 A A < 0 0 119 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.821 360.0 360.0 -81.2 360.0 101.1 -0.8 -16.9