==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-03 1RQH . COMPND 2 MOLECULE: TRANSCARBOXYLASE 5S SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII SUBSP . 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) . 19653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 69.9 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 . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 2 4 1 1 1 2 1 3 3 1 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 0 292 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.9 93.9 53.3 -26.1 2 5 A E - 0 0 185 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.925 360.0-150.1-135.7 159.8 94.6 52.5 -22.4 3 6 A I - 0 0 97 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.995 22.2-130.2-130.1 125.2 93.4 50.2 -19.6 4 7 A E - 0 0 133 -2,-0.4 2,-0.3 226,-0.0 -2,-0.0 -0.577 29.2-171.5 -74.7 133.3 93.5 51.2 -16.0 5 8 A V - 0 0 70 -2,-0.3 225,-0.2 225,-0.1 224,-0.1 -0.928 27.9 -96.8-126.4 152.9 95.2 48.5 -13.8 6 9 A S - 0 0 23 223,-2.4 3,-0.1 -2,-0.3 225,-0.1 -0.192 51.0 -91.3 -63.5 158.0 95.5 48.2 -10.0 7 10 A E - 0 0 124 1,-0.2 -1,-0.1 224,-0.0 255,-0.0 -0.241 58.2 -73.9 -69.1 159.2 98.6 49.5 -8.3 8 11 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 255,-0.2 -0.257 76.9 142.1 -52.0 136.3 101.6 47.1 -7.7 9 12 A R E -a 263 0A 45 253,-0.8 255,-1.7 -3,-0.1 2,-0.4 -0.987 53.9 -84.9-169.8 170.3 100.6 44.8 -4.9 10 13 A E E -a 264 0A 127 -2,-0.3 2,-0.5 253,-0.2 255,-0.2 -0.740 36.5-150.4 -91.2 132.4 100.7 41.3 -3.4 11 14 A V - 0 0 1 253,-3.4 255,-0.3 -2,-0.4 223,-0.2 -0.906 14.1-132.2-105.1 129.0 97.9 38.9 -4.6 12 15 A G E -b 234 0B 17 221,-2.7 223,-1.9 -2,-0.5 2,-0.4 -0.474 16.6-150.2 -79.5 153.4 96.8 36.2 -2.3 13 16 A I E -b 235 0B 2 33,-0.3 35,-2.9 221,-0.2 36,-1.0 -0.980 6.5-157.7-128.3 134.1 96.4 32.5 -3.4 14 17 A T E -bc 236 49B 0 221,-2.0 223,-2.5 -2,-0.4 2,-0.4 -0.952 18.0-142.1-109.2 120.6 94.1 29.8 -2.1 15 18 A E E -bc 237 50B 0 34,-1.6 36,-2.1 -2,-0.5 223,-0.2 -0.693 17.6-177.2 -83.8 134.5 95.3 26.3 -2.8 16 19 A L > > + 0 0 0 221,-2.1 5,-2.3 -2,-0.4 3,-2.1 0.362 50.9 107.6-112.0 2.1 92.5 23.8 -3.7 17 20 A V T 3 5S+ 0 0 0 220,-0.3 5,-0.5 1,-0.3 -1,-0.1 0.821 78.8 53.5 -55.4 -32.4 94.5 20.6 -4.0 18 21 A L T 3 5S+ 0 0 0 33,-0.4 -1,-0.3 -3,-0.1 34,-0.1 0.552 129.4 1.6 -83.7 -5.3 93.0 19.2 -0.8 19 22 A R T <>5S+ 0 0 0 -3,-2.1 4,-1.9 32,-0.3 3,-0.4 0.308 130.7 29.4-139.2 -83.3 89.4 19.6 -1.8 20 23 A D H >5S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.826 111.6 63.2 -61.7 -34.8 88.1 21.0 -5.1 21 24 A A H > S+ 0 0 0 -5,-0.5 6,-2.5 -6,-0.4 4,-2.0 0.763 114.9 59.1 -81.1 -20.7 90.4 16.1 -6.5 23 26 A Q H < S+ 0 0 54 -4,-1.9 4,-0.4 4,-0.3 -1,-0.2 0.909 115.7 36.7 -67.5 -37.3 86.7 16.6 -6.4 24 27 A S H < S+ 0 0 25 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.795 127.5 34.0 -84.2 -31.6 86.9 17.9 -10.0 25 28 A L H < S+ 0 0 4 -4,-2.0 266,-0.5 -5,-0.3 -3,-0.2 0.782 131.7 19.2-101.0 -29.4 89.6 15.6 -11.3 26 29 A M S >< S- 0 0 0 -4,-2.0 3,-2.1 -5,-0.2 264,-0.2 -0.135 107.1 -95.8-138.5 45.8 89.1 12.2 -9.6 27 30 A A T 3 S- 0 0 40 -4,-0.4 -4,-0.3 1,-0.3 -3,-0.1 0.784 72.5 -71.7 49.7 38.1 85.5 12.2 -8.3 28 31 A T T 3 S+ 0 0 12 -6,-2.5 -1,-0.3 1,-0.1 -5,-0.2 0.732 99.6 131.7 57.5 25.2 86.6 13.3 -4.8 29 32 A R < + 0 0 41 -3,-2.1 431,-0.4 -7,-0.5 432,-0.1 0.428 22.2 134.3 -89.5 2.5 88.1 9.9 -4.2 30 33 A M - 0 0 0 -11,-0.1 2,-0.2 1,-0.1 35,-0.1 -0.312 54.0-132.1 -57.5 122.9 91.5 11.2 -2.8 31 34 A A > - 0 0 2 1,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.486 9.5-127.0 -77.4 145.1 92.4 9.2 0.3 32 35 A M G >> S+ 0 0 20 1,-0.3 4,-2.3 426,-0.3 3,-1.8 0.888 111.2 63.1 -57.9 -37.8 93.4 11.1 3.5 33 36 A E G 34 S+ 0 0 152 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.811 102.1 49.9 -55.5 -33.9 96.5 8.8 3.5 34 37 A D G <4 S+ 0 0 8 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.503 115.3 42.9 -86.7 -3.7 97.6 10.3 0.1 35 38 A M T X4 S+ 0 0 0 -3,-1.8 3,-2.5 -4,-0.4 4,-0.5 0.801 92.7 72.4-109.4 -39.9 97.2 13.9 1.3 36 39 A V G >< S+ 0 0 50 -4,-2.3 3,-1.1 1,-0.3 4,-0.5 0.764 87.7 68.4 -52.8 -29.3 98.7 14.2 4.9 37 40 A G G 3 S+ 0 0 49 -4,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.681 101.7 45.3 -66.3 -14.9 102.2 13.9 3.6 38 41 A A G <> S+ 0 0 0 -3,-2.5 4,-2.7 1,-0.1 -1,-0.2 0.476 86.4 93.0-105.0 -3.0 102.0 17.3 1.9 39 42 A C H <> S+ 0 0 1 -3,-1.1 4,-2.9 -4,-0.5 5,-0.2 0.886 81.7 53.6 -60.8 -43.0 100.4 19.2 4.8 40 43 A A H > S+ 0 0 64 -4,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.935 114.9 40.9 -59.8 -44.3 103.7 20.5 6.3 41 44 A D H 4 S+ 0 0 28 -4,-0.2 3,-0.4 2,-0.2 4,-0.3 0.898 114.6 51.5 -71.1 -38.7 104.8 22.0 3.0 42 45 A I H ><>S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 5,-0.5 0.906 107.6 54.0 -62.3 -40.5 101.3 23.3 2.2 43 46 A D H 3<5S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 115.1 39.7 -66.0 -26.0 101.2 25.0 5.6 44 47 A A T 3<5S+ 0 0 43 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.293 90.0 92.2-108.1 12.1 104.5 26.7 4.9 45 48 A A T < 5S- 0 0 1 -3,-1.2 223,-2.4 -4,-0.3 227,-0.1 0.846 96.7-113.8 -75.4 -34.2 103.9 27.6 1.3 46 49 A G T 5 + 0 0 49 -4,-0.5 -33,-0.3 221,-0.2 220,-0.3 0.623 54.5 162.9 109.0 20.4 102.4 31.1 2.0 47 50 A Y < - 0 0 25 -5,-0.5 37,-0.2 1,-0.1 -33,-0.2 -0.330 44.6-133.9 -70.0 151.5 98.8 30.6 0.9 48 51 A W S S- 0 0 43 -35,-2.9 2,-0.3 1,-0.3 36,-0.2 0.868 88.4 -13.2 -71.2 -36.8 96.1 33.0 2.0 49 52 A S E -c 14 0B 0 -36,-1.0 -34,-1.6 34,-0.1 2,-0.5 -0.975 60.7-131.2-157.7 164.5 94.0 29.9 2.8 50 53 A V E -cd 15 85B 1 34,-2.7 36,-2.3 -2,-0.3 2,-0.6 -0.937 17.1-147.1-125.4 105.1 93.8 26.2 2.2 51 54 A E E + d 0 86B 0 -36,-2.1 -33,-0.4 -2,-0.5 -32,-0.3 -0.623 42.2 142.5 -73.5 117.2 90.5 24.8 0.9 52 55 A C E + 0 0 0 34,-2.3 2,-0.3 -2,-0.6 35,-0.2 0.232 51.2 41.6-142.5 14.7 90.4 21.3 2.5 53 56 A W E S+ d 0 87B 0 33,-1.0 35,-1.1 20,-0.0 -33,-0.1 -0.969 80.4 37.8-156.5 170.7 86.8 20.6 3.6 54 57 A G E > S+ d 0 88B 0 -2,-0.3 3,-1.6 33,-0.3 35,-0.2 -0.353 71.5 83.4 80.4-164.5 83.2 20.9 2.5 55 58 A G T > S- 0 0 19 33,-1.9 3,-0.6 1,-0.2 4,-0.3 -0.386 116.8 -31.6 64.5-144.6 81.9 20.4 -1.0 56 59 A A T 3> S+ 0 0 34 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 0.376 117.2 94.3 -90.1 6.2 81.4 16.7 -1.8 57 60 A T H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.839 80.3 55.9 -68.9 -31.3 84.2 15.5 0.5 58 61 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 5,-0.3 0.968 112.0 42.7 -63.4 -49.9 81.8 14.9 3.4 59 62 A D H > S+ 0 0 35 -4,-0.3 4,-2.8 1,-0.2 5,-0.4 0.938 115.5 49.6 -58.6 -49.3 79.7 12.5 1.2 60 63 A S H X>S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-1.9 0.886 106.9 55.7 -60.1 -42.2 82.8 10.9 -0.3 61 64 A C H <5S+ 0 0 0 -4,-2.6 6,-3.2 3,-0.2 4,-0.3 0.940 119.3 29.7 -57.4 -50.1 84.4 10.3 3.1 62 65 A I H <5S+ 0 0 8 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.782 125.9 44.2 -85.0 -26.3 81.4 8.3 4.5 63 66 A R H <5S+ 0 0 119 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.883 132.8 8.2 -88.3 -38.1 80.1 6.8 1.3 64 67 A F T <5S+ 0 0 79 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.715 131.0 40.5-117.2 -26.3 83.3 5.6 -0.4 65 68 A L S > - 0 0 18 -2,-0.4 4,-1.8 1,-0.2 3,-0.8 -0.717 15.9-149.8 -81.6 117.6 84.8 10.3 9.3 69 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.837 97.5 55.4 -53.8 -37.9 84.8 13.8 7.8 70 73 A W H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.846 105.7 51.3 -68.1 -31.8 85.2 15.4 11.2 71 74 A E H <> S+ 0 0 90 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.896 107.7 52.8 -72.1 -35.9 88.3 13.4 11.8 72 75 A R H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.938 110.7 48.0 -61.4 -44.4 89.7 14.6 8.4 73 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.946 111.4 49.2 -61.3 -49.9 89.0 18.2 9.5 74 77 A R H X S+ 0 0 86 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.902 111.5 49.6 -58.2 -40.9 90.7 17.6 12.9 75 78 A T H X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.925 110.8 48.7 -66.7 -43.0 93.7 16.1 11.3 76 79 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.877 109.8 52.5 -63.5 -38.2 94.1 18.9 8.8 77 80 A R H < S+ 0 0 55 -4,-2.4 -1,-0.2 38,-0.2 -2,-0.2 0.876 113.9 44.8 -64.6 -34.7 93.8 21.5 11.6 78 81 A K H < S+ 0 0 138 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.878 116.2 43.1 -77.5 -40.3 96.6 19.7 13.4 79 82 A L H < S+ 0 0 65 -4,-2.6 -36,-0.2 1,-0.2 -2,-0.2 0.633 121.4 40.4 -84.0 -14.8 99.0 19.2 10.5 80 83 A M >< + 0 0 0 -4,-1.6 3,-1.4 -5,-0.2 -1,-0.2 -0.468 69.3 156.2-129.8 62.3 98.5 22.8 9.1 81 84 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.694 71.7 48.7 -60.8 -23.7 98.4 24.9 12.3 82 85 A N T 3 S+ 0 0 137 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.334 96.5 92.7-101.7 9.0 99.5 28.2 10.8 83 86 A S S < S- 0 0 17 -3,-1.4 2,-0.7 -6,-0.2 -34,-0.1 -0.703 75.9-121.3-108.4 154.7 97.0 28.1 7.9 84 87 A R - 0 0 113 -2,-0.3 -34,-2.7 -37,-0.2 2,-0.3 -0.826 34.0-146.1 -85.0 113.9 93.6 29.5 7.3 85 88 A L E -d 50 0B 0 -2,-0.7 34,-3.2 31,-0.4 33,-1.1 -0.623 17.0-165.2 -82.6 145.8 91.5 26.4 6.5 86 89 A Q E -de 51 119B 0 -36,-2.3 -34,-2.3 -2,-0.3 -33,-1.0 -0.956 9.3-177.9-132.6 148.5 88.6 27.0 4.1 87 90 A M E -de 53 120B 0 32,-1.9 34,-2.5 -2,-0.3 2,-0.5 -0.906 26.3-122.3-138.1 166.4 85.5 25.0 3.1 88 91 A L E -de 54 121B 9 -35,-1.1 -33,-1.9 -2,-0.3 2,-0.4 -0.964 29.6-177.1-110.7 128.3 82.6 25.2 0.7 89 92 A L E - e 0 122B 0 32,-2.9 34,-2.3 -2,-0.5 2,-2.0 -0.992 25.7-140.4-131.1 125.0 79.2 25.2 2.3 90 93 A R > - 0 0 39 4,-1.4 3,-2.2 -2,-0.4 4,-0.4 -0.343 41.1-122.6 -85.2 61.9 75.9 25.2 0.3 91 94 A G G > S+ 0 0 0 -2,-2.0 3,-2.3 1,-0.3 41,-0.2 -0.018 85.9 4.9 43.7-129.0 74.0 27.6 2.6 92 95 A Q G 3 S+ 0 0 0 39,-1.7 8,-2.1 1,-0.3 -1,-0.3 0.641 132.5 58.5 -62.6 -14.1 70.8 26.3 4.1 93 96 A N G X S- 0 0 2 -3,-2.2 3,-2.4 1,-0.3 5,-0.4 0.599 85.9-172.3 -89.1 -13.3 71.5 23.0 2.4 94 97 A L T < - 0 0 1 -3,-2.3 -4,-1.4 -4,-0.4 -1,-0.3 -0.344 67.2 -40.9 54.2-129.7 74.8 22.7 4.3 95 98 A L T 3 S+ 0 0 21 -6,-0.2 -1,-0.3 -3,-0.1 -36,-0.1 0.229 121.8 99.1-108.4 12.5 76.5 19.7 2.8 96 99 A G S < S- 0 0 9 -3,-2.4 345,-0.1 2,-0.2 346,-0.1 0.052 85.5-103.2 -88.8-165.1 73.2 17.8 2.7 97 100 A Y S S+ 0 0 135 344,-0.5 2,-0.3 2,-0.1 -3,-0.1 0.459 94.2 20.4-102.1 -6.8 70.4 16.9 0.3 98 101 A R S S- 0 0 63 -5,-0.4 -2,-0.2 -6,-0.1 2,-0.2 -0.931 90.9 -76.3-151.8 174.7 67.8 19.5 1.5 99 102 A H - 0 0 15 -2,-0.3 2,-0.3 -3,-0.0 -6,-0.2 -0.552 50.2-151.5 -73.2 143.6 67.2 22.7 3.3 100 103 A Y - 0 0 0 -8,-2.1 312,-0.1 -2,-0.2 -6,-0.1 -0.784 23.1 -91.9-116.4 161.3 67.5 22.4 7.0 101 104 A N >> - 0 0 21 -2,-0.3 3,-1.6 312,-0.2 4,-1.3 -0.366 46.5-106.3 -63.4 151.6 65.9 24.2 9.9 102 105 A D H 3> S+ 0 0 37 307,-0.3 4,-2.4 1,-0.3 5,-0.1 0.797 117.3 62.2 -52.8 -34.1 68.1 27.1 11.1 103 106 A E H 3> S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.808 101.2 52.3 -68.2 -26.3 69.1 25.2 14.3 104 107 A V H <> S+ 0 0 0 -3,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.889 109.2 49.7 -73.1 -37.0 70.8 22.5 12.2 105 108 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.923 110.3 51.3 -63.8 -42.4 72.7 25.2 10.4 106 109 A D H X S+ 0 0 65 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.936 111.3 46.9 -59.3 -49.2 73.7 26.6 13.7 107 110 A R H X S+ 0 0 80 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.937 113.1 48.6 -57.9 -51.4 75.0 23.3 15.0 108 111 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.944 114.9 42.9 -57.6 -53.4 76.9 22.5 11.8 109 112 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.935 113.8 52.3 -60.9 -46.1 78.7 25.8 11.6 110 113 A D H X S+ 0 0 74 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.922 113.5 43.0 -57.2 -47.1 79.4 25.8 15.4 111 114 A K H X S+ 0 0 25 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.856 112.1 54.5 -68.7 -34.6 81.0 22.3 15.2 112 115 A S H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 4,-0.3 0.947 113.5 41.3 -62.6 -47.9 82.9 23.2 12.1 113 116 A A H ><5S+ 0 0 12 -4,-2.8 3,-1.2 3,-0.2 -2,-0.2 0.890 113.3 54.5 -65.8 -40.4 84.4 26.2 13.7 114 117 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.881 108.9 48.2 -62.2 -38.0 85.0 24.3 16.9 115 118 A N T 3<5S- 0 0 21 -4,-2.2 -1,-0.3 -5,-0.1 -38,-0.2 0.452 134.0 -84.6 -84.9 0.5 86.9 21.6 15.0 116 119 A G T < 5S+ 0 0 9 -3,-1.2 -31,-0.4 1,-0.3 -3,-0.2 0.463 71.8 147.5 120.0 -4.6 89.0 24.2 13.2 117 120 A M < + 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 -31,-0.1 -0.463 15.7 177.1 -68.5 134.6 87.4 25.7 10.1 118 121 A D + 0 0 39 -33,-1.1 27,-2.5 1,-0.3 2,-0.5 0.832 62.4 38.8-104.7 -49.5 88.5 29.3 9.6 119 122 A V E -ef 86 145B 2 -34,-3.2 -32,-1.9 25,-0.2 2,-0.7 -0.929 63.5-163.7-112.9 125.1 86.9 30.5 6.3 120 123 A F E -ef 87 146B 0 25,-3.0 27,-2.7 -2,-0.5 2,-1.1 -0.897 5.0-160.0-109.4 108.6 83.4 29.5 5.3 121 124 A R E -ef 88 147B 0 -34,-2.5 -32,-2.9 -2,-0.7 2,-0.5 -0.774 19.0-166.6 -86.6 103.2 82.6 30.0 1.6 122 125 A V E +ef 89 148B 0 25,-2.1 27,-1.6 -2,-1.1 2,-0.3 -0.798 14.6 163.2 -95.7 129.8 78.8 30.0 1.7 123 126 A F - 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0 0 51 -3,-0.6 -310,-0.2 -4,-0.4 3,-0.1 -0.529 62.4-144.1 -76.4 131.3 60.9 24.1 8.4 413 416 A P - 0 0 85 0, 0.0 -312,-0.2 0, 0.0 -2,-0.1 -0.438 38.2 -73.6 -87.7 163.4 60.2 23.1 12.0 414 417 A P + 0 0 105 0, 0.0 4,-0.0 0, 0.0 -312,-0.0 -0.281 55.1 165.4 -55.2 142.7 62.8 22.3 14.6 415 418 A E > + 0 0 16 -3,-0.1 4,-2.8 2,-0.1 5,-0.2 0.437 44.0 96.4-140.3 -7.2 64.3 18.9 13.8 416 419 A W H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.935 88.9 46.7 -55.7 -51.6 67.5 18.6 15.9 417 420 A E H > S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 113.7 49.8 -59.5 -39.7 65.9 16.6 18.7 418 421 A K H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 112.0 48.0 -64.4 -41.9 64.3 14.3 16.2 419 422 A Q H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.922 110.4 52.1 -65.5 -43.7 67.6 13.8 14.4 420 423 A S H X S+ 0 0 23 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.921 109.7 48.4 -59.1 -47.8 69.4 13.1 17.7 421 424 A K H < S+ 0 0 140 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.953 114.5 44.2 -59.3 -52.8 66.9 10.4 18.8 422 425 A E H >< S+ 0 0 49 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.912 114.1 50.3 -59.8 -44.1 66.9 8.6 15.4 423 426 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.884 101.6 61.9 -63.0 -39.8 70.7 8.8 15.2 424 427 A A T 3< S+ 0 0 61 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.603 95.3 63.2 -65.0 -10.9 71.2 7.4 18.7 425 428 A T T < S+ 0 0 109 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.3 0.298 82.4 101.2 -97.1 10.5 69.5 4.1 17.6 426 429 A L S X S- 0 0 36 -3,-1.9 3,-2.0 1,-0.0 2,-0.2 -0.824 80.6-115.4-100.6 131.0 72.2 3.3 15.1 427 430 A K T 3 S+ 0 0 145 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.431 104.7 25.4 -60.2 125.6 74.9 0.7 15.9 428 431 A G T 3 S+ 0 0 38 1,-0.4 -1,-0.3 -2,-0.2 -4,-0.1 0.100 80.5 143.9 106.2 -23.7 78.2 2.6 15.9 429 432 A F < - 0 0 44 -3,-2.0 -1,-0.4 -6,-0.2 -5,-0.0 -0.267 38.2-156.6 -50.2 130.7 76.8 6.1 16.8 430 433 A N - 0 0 76 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.261 34.1-115.2-100.3 13.0 79.3 7.7 19.1 431 434 A G S S+ 0 0 54 1,-0.2 2,-0.2 -8,-0.1 -2,-0.1 0.581 71.1 129.1 69.8 10.7 76.9 10.2 20.7 432 435 A T S > S- 0 0 48 1,-0.1 4,-1.9 0, 0.0 3,-0.2 -0.626 70.1-122.4 -97.6 158.3 78.5 13.4 19.4 433 436 A D H > S+ 0 0 53 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.845 114.8 64.8 -62.7 -32.1 76.7 16.2 17.6 434 437 A E H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 104.1 43.8 -54.9 -47.0 79.1 15.5 14.8 435 438 A D H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 110.5 54.1 -68.2 -39.9 77.5 12.0 14.4 436 439 A V H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.922 109.1 49.9 -59.6 -41.0 74.0 13.4 14.6 437 440 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.907 106.3 55.1 -63.4 -40.8 74.9 15.8 11.8 438 441 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 8,-0.3 0.909 111.8 44.2 -59.6 -39.4 76.3 13.0 9.8 439 442 A Y H < S+ 0 0 36 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.902 113.4 50.1 -70.8 -41.2 72.9 11.3 10.1 440 443 A A H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 117.4 40.5 -65.4 -37.1 70.9 14.5 9.4 441 444 A L H < S+ 0 0 0 -4,-2.9 -344,-0.5 1,-0.2 -2,-0.2 0.869 133.7 19.3 -80.6 -38.5 73.0 15.2 6.3 442 445 A F >X + 0 0 24 -4,-2.4 4,-3.0 -5,-0.3 3,-1.2 -0.563 67.1 167.6-135.6 72.7 73.2 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 0.823 80.2 46.1 -52.4 -40.1 70.4 9.5 6.6 444 447 A Q T 34 S+ 0 0 183 1,-0.1 4,-0.3 2,-0.1 -5,-0.1 0.599 119.3 39.7 -85.9 -10.1 70.8 6.5 4.3 445 448 A V T <> S+ 0 0 17 -3,-1.2 4,-2.5 -7,-0.2 3,-0.3 0.771 98.0 73.7-104.4 -35.1 74.6 6.4 4.5 446 449 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 -8,-0.3 5,-0.3 0.859 93.1 57.1 -47.0 -45.5 75.1 7.1 8.2 447 450 A P H > S+ 0 0 46 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.951 111.7 39.1 -52.7 -55.3 73.9 3.6 9.1 448 451 A V H > S+ 0 0 91 -3,-0.3 4,-1.5 -4,-0.3 -2,-0.2 0.898 117.5 50.8 -63.2 -42.6 76.4 1.7 7.0 449 452 A F H >X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.949 107.9 50.2 -63.6 -51.3 79.2 4.1 7.9 450 453 A F H 3< S+ 0 0 6 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.855 111.1 52.6 -55.7 -34.2 78.7 4.0 11.7 451 454 A E H 3< S+ 0 0 96 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.832 120.9 28.8 -73.0 -32.1 78.8 0.2 11.4 452 455 A H H X< S+ 0 0 64 -4,-1.5 3,-2.7 -3,-0.6 4,-0.4 0.557 89.7 98.4-107.5 -9.4 82.1 0.0 9.5 453 456 A R G >< S+ 0 0 44 -4,-2.6 3,-2.2 1,-0.3 -1,-0.1 0.810 75.3 65.5 -48.3 -38.3 83.9 3.2 10.8 454 457 A A G 3 S+ 0 0 104 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.728 88.8 68.6 -60.5 -20.3 85.9 1.2 13.3 455 458 A E G < S- 0 0 113 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.701 108.3-125.8 -73.8 -13.9 87.6 -0.6 10.4 456 459 A G < - 0 0 21 -3,-2.2 -1,-0.1 -4,-0.4 -2,-0.1 0.018 36.9 -43.3 89.6 159.6 89.4 2.7 9.6 457 460 A P - 0 0 83 0, 0.0 -391,-0.2 0, 0.0 2,-0.2 -0.264 59.3-168.7 -61.6 144.8 89.6 4.8 6.5 458 461 A H - 0 0 92 -393,-2.5 2,-0.4 -426,-0.0 -426,-0.3 -0.609 14.5-126.1-123.5-175.4 90.2 3.0 3.2 459 462 A S - 0 0 46 -2,-0.2 -429,-0.1 2,-0.1 -394,-0.0 -0.994 8.7-164.1-137.2 140.8 91.2 3.9 -0.4 460 463 A V + 0 0 62 -431,-0.4 2,-0.2 -2,-0.4 -430,-0.1 0.169 63.4 108.4-106.3 14.0 89.5 3.1 -3.7 461 464 A A S S- 0 0 11 -432,-0.1 -175,-0.2 1,-0.1 -2,-0.1 -0.543 83.1 -90.3 -88.3 156.7 92.6 4.0 -5.6 462 465 A L - 0 0 25 -177,-2.8 2,-0.1 -2,-0.2 -1,-0.1 -0.351 43.6-123.3 -64.0 145.0 94.9 1.5 -7.3 463 466 A T > - 0 0 73 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.439 25.6-105.9 -83.8 165.2 97.7 0.2 -5.1 464 467 A D H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 125.5 53.5 -56.5 -39.8 101.3 0.5 -6.1 465 468 A A H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.930 109.1 46.6 -59.2 -48.5 101.1 -3.2 -6.8 466 469 A Q H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.825 111.0 53.7 -65.7 -31.4 98.1 -2.8 -9.0 467 470 A L H X S+ 0 0 37 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.957 114.0 40.7 -66.5 -49.4 99.8 0.1 -10.8 468 471 A K H >< S+ 0 0 149 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.974 113.5 52.2 -60.6 -58.4 102.9 -2.0 -11.6 469 472 A A H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 111.0 49.8 -49.5 -32.8 100.9 -5.2 -12.5 470 473 A E H 3< 0 0 87 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.770 360.0 360.0 -79.8 -26.9 98.9 -3.0 -14.9 471 474 A A << 0 0 117 -3,-1.3 -3,-0.0 -4,-1.3 0, 0.0 -0.331 360.0 360.0 -94.2 360.0 102.0 -1.6 -16.4