==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-03 1RQB . 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 . 472 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 68.4 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 . 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 35.6 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 0 2 5 1 1 1 2 2 2 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 3 A P 0 0 189 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.2 96.5 53.5 -29.3 2 4 A R - 0 0 229 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.640 360.0-128.5-125.3 178.2 94.3 53.2 -26.2 3 5 A E - 0 0 192 -2,-0.2 2,-0.4 2,-0.0 0, 0.0 -0.976 5.5-152.5-137.9 152.4 95.0 52.7 -22.5 4 6 A I - 0 0 97 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.988 21.3-129.3-124.0 129.8 93.8 50.4 -19.7 5 7 A E - 0 0 132 -2,-0.4 2,-0.3 226,-0.0 -2,-0.0 -0.613 31.0-173.0 -76.4 132.6 93.9 51.4 -16.0 6 8 A V - 0 0 72 -2,-0.3 225,-0.2 1,-0.1 224,-0.1 -0.919 27.3 -94.3-127.5 156.1 95.5 48.7 -13.9 7 9 A S - 0 0 18 223,-2.1 3,-0.1 -2,-0.3 225,-0.1 -0.168 49.5 -89.7 -66.7 160.2 95.9 48.4 -10.1 8 10 A E - 0 0 116 1,-0.1 -1,-0.1 224,-0.0 224,-0.0 -0.261 58.2 -78.6 -66.3 154.4 98.9 49.7 -8.2 9 11 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 255,-0.2 -0.294 76.1 139.2 -53.6 137.7 101.9 47.3 -7.7 10 12 A R E -a 264 0A 41 253,-0.8 255,-1.6 -3,-0.1 2,-0.4 -0.986 55.1 -84.7-171.7 168.8 101.0 44.9 -4.8 11 13 A E E -a 265 0A 128 -2,-0.3 2,-0.5 253,-0.2 255,-0.2 -0.726 36.5-149.2 -89.7 137.2 101.1 41.4 -3.5 12 14 A V - 0 0 2 253,-3.3 255,-0.4 -2,-0.4 223,-0.2 -0.907 15.2-129.4-106.2 132.4 98.3 39.1 -4.6 13 15 A G E -b 235 0B 12 221,-2.8 223,-2.3 -2,-0.5 2,-0.4 -0.510 17.6-150.1 -80.7 153.4 97.2 36.3 -2.3 14 16 A I E -b 236 0B 2 33,-0.3 35,-2.7 221,-0.2 36,-0.8 -0.983 4.6-157.0-127.1 131.6 96.9 32.7 -3.4 15 17 A T E -bc 237 50B 0 221,-2.2 223,-2.6 -2,-0.4 2,-0.4 -0.932 18.3-139.4-105.8 126.2 94.5 30.0 -2.1 16 18 A E E -bc 238 51B 0 34,-1.9 36,-2.6 -2,-0.5 223,-0.2 -0.726 19.4-178.2 -88.5 135.2 95.6 26.4 -2.7 17 19 A L > > + 0 0 0 221,-2.0 5,-2.5 -2,-0.4 3,-1.8 0.361 50.6 106.3-113.8 3.0 93.0 23.9 -3.8 18 20 A V T 3 >S+ 0 0 0 220,-0.3 5,-0.5 1,-0.3 -1,-0.1 0.819 79.4 53.0 -57.7 -32.2 94.9 20.7 -4.0 19 21 A L T 3 5S+ 0 0 0 33,-0.4 -1,-0.3 -3,-0.1 34,-0.1 0.550 129.6 3.4 -84.1 -5.4 93.4 19.2 -0.8 20 22 A R T <>5S+ 0 0 1 -3,-1.8 4,-1.9 32,-0.2 5,-0.2 0.367 130.7 29.4-137.9 -79.3 89.8 19.7 -1.8 21 23 A D H >5S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.833 112.0 62.1 -66.2 -32.7 88.6 21.1 -5.2 22 24 A A H >< S- 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 264,-0.2 -0.085 107.2 -95.8-141.0 42.3 89.6 12.3 -9.7 28 30 A A T 3 S- 0 0 39 -4,-0.5 -4,-0.3 1,-0.3 -3,-0.1 0.775 72.2 -72.6 52.8 35.5 86.0 12.2 -8.4 29 31 A T T 3 S+ 0 0 14 -6,-2.3 -1,-0.3 1,-0.1 -5,-0.2 0.715 98.6 132.4 59.3 25.2 87.0 13.3 -4.8 30 32 A R < + 0 0 46 -3,-1.9 431,-0.4 -7,-0.5 432,-0.2 0.469 21.2 135.1 -89.1 1.4 88.6 9.9 -4.2 31 33 A X - 0 0 0 -11,-0.1 2,-0.2 1,-0.1 35,-0.1 -0.266 50.9-135.7 -56.8 125.5 91.9 11.3 -2.7 32 34 A A > - 0 0 2 1,-0.1 3,-1.5 -2,-0.1 4,-0.4 -0.564 11.2-127.0 -84.0 143.7 92.8 9.3 0.4 33 35 A X G >> S+ 0 0 18 1,-0.3 4,-2.3 -2,-0.2 3,-1.8 0.869 109.9 63.6 -56.0 -37.8 94.0 11.1 3.5 34 36 A E G 34 S+ 0 0 114 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.814 102.2 50.3 -57.4 -30.2 97.1 8.8 3.6 35 37 A D G <4 S+ 0 0 11 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.522 115.8 41.2 -88.4 -4.2 98.1 10.3 0.2 36 38 A X T X> S+ 0 0 0 -3,-1.8 3,-2.4 -4,-0.4 4,-0.5 0.769 92.7 74.1-111.3 -37.0 97.8 14.0 1.3 37 39 A V G >< S+ 0 0 51 -4,-2.3 3,-1.3 1,-0.3 4,-0.5 0.807 87.0 67.7 -52.8 -33.9 99.2 14.2 4.9 38 40 A G G 34 S+ 0 0 52 -4,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.658 102.8 44.9 -62.6 -14.2 102.8 14.0 3.6 39 41 A A G <> S+ 0 0 0 -3,-2.4 4,-2.7 1,-0.1 -1,-0.2 0.500 86.8 92.4-105.8 -5.4 102.5 17.4 1.9 40 42 A C H S+ 0 0 65 -4,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.935 114.2 42.8 -60.3 -43.9 104.1 20.6 6.4 42 44 A D H > S+ 0 0 28 -4,-0.2 4,-0.5 2,-0.2 3,-0.4 0.902 113.6 51.2 -69.5 -39.4 105.2 22.1 3.0 43 45 A I H ><>S+ 0 0 1 -4,-2.7 3,-1.3 1,-0.2 5,-0.5 0.936 107.5 54.7 -61.1 -43.0 101.7 23.4 2.2 44 46 A D H 3<5S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.759 114.7 39.2 -62.4 -27.3 101.6 25.1 5.7 45 47 A A H 3<5S+ 0 0 42 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.354 90.6 90.7-107.0 8.0 104.9 26.9 5.0 46 48 A A T <<5S- 0 0 1 -3,-1.3 223,-2.2 -4,-0.5 -1,-0.1 0.779 97.4-113.3 -76.4 -25.9 104.4 27.8 1.3 47 49 A G T 5 + 0 0 25 -4,-0.5 -33,-0.3 221,-0.2 220,-0.3 0.640 54.0 162.8 103.9 18.3 102.8 31.2 2.1 48 50 A Y < - 0 0 23 -5,-0.5 37,-0.3 1,-0.1 -33,-0.2 -0.343 44.0-133.7 -70.5 151.0 99.2 30.7 0.9 49 51 A W S S- 0 0 40 -35,-2.7 36,-0.3 1,-0.3 2,-0.3 0.911 88.5 -12.0 -68.4 -42.0 96.4 33.1 2.0 50 52 A S E -c 15 0B 0 -36,-0.8 -34,-1.9 34,-0.1 2,-0.5 -0.970 61.0-133.8-153.1 163.2 94.3 30.0 2.7 51 53 A V E -cd 16 86B 1 34,-2.5 36,-2.4 -2,-0.3 2,-0.5 -0.970 18.3-144.2-123.4 110.8 94.2 26.3 2.1 52 54 A E E + d 0 87B 0 -36,-2.6 -33,-0.4 -2,-0.5 -32,-0.2 -0.651 42.2 143.7 -76.6 123.1 90.9 24.8 0.9 53 55 A C E + 0 0 0 34,-2.5 2,-0.3 -2,-0.5 35,-0.2 0.316 49.8 42.1-145.5 12.0 90.7 21.4 2.6 54 56 A W E S+ d 0 88B 0 33,-1.0 35,-1.3 20,-0.0 -1,-0.1 -0.975 80.2 34.2-156.3 166.7 87.1 20.6 3.6 55 57 A G E > S+ d 0 89B 0 -2,-0.3 3,-1.7 33,-0.2 35,-0.2 -0.367 70.7 83.8 83.6-164.3 83.5 20.8 2.5 56 58 A G T > S- 0 0 20 33,-1.9 3,-0.6 1,-0.2 4,-0.3 -0.402 117.4 -30.2 63.7-143.0 82.2 20.5 -1.1 57 59 A A T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.414 118.5 92.9 -87.9 3.0 81.8 16.8 -2.0 58 60 A T H <> S+ 0 0 0 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.830 79.7 56.6 -70.0 -29.5 84.6 15.6 0.3 59 61 A Y H <> S+ 0 0 0 -3,-0.6 4,-1.8 2,-0.2 5,-0.3 0.980 111.3 43.3 -63.3 -51.9 82.3 14.9 3.3 60 62 A D H > S+ 0 0 33 -4,-0.3 4,-2.6 1,-0.2 5,-0.4 0.920 113.8 51.5 -57.0 -47.0 80.2 12.5 1.2 61 63 A S H X>S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-1.8 0.897 105.8 55.7 -61.3 -41.1 83.3 10.9 -0.4 62 64 A C H <5S+ 0 0 0 -4,-2.3 6,-2.9 1,-0.2 4,-0.4 0.952 118.9 30.0 -57.5 -50.4 84.9 10.3 3.1 63 65 A I H <5S+ 0 0 7 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.764 124.8 45.1 -86.0 -21.9 81.9 8.3 4.5 64 66 A R H <5S+ 0 0 119 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.871 132.8 6.6 -91.7 -34.6 80.6 6.8 1.2 65 67 A F T <5S+ 0 0 77 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.690 130.5 42.7-120.4 -26.8 83.8 5.5 -0.5 66 68 A L S > - 0 0 18 -2,-0.4 4,-1.6 1,-0.2 3,-0.8 -0.742 16.9-150.2 -82.8 117.6 85.3 10.3 9.3 70 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.823 96.2 57.1 -56.7 -32.8 85.3 13.8 7.7 71 73 A W H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.844 104.1 51.7 -69.9 -31.6 85.6 15.3 11.2 72 74 A E H <> S+ 0 0 103 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.876 108.1 52.5 -71.4 -34.6 88.8 13.3 11.9 73 75 A R H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.933 110.0 48.1 -64.6 -44.2 90.2 14.6 8.5 74 76 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.931 111.8 49.3 -62.0 -46.3 89.5 18.2 9.6 75 77 A R H X S+ 0 0 87 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.913 111.6 49.8 -60.0 -40.7 91.1 17.7 13.0 76 78 A T H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.931 110.6 48.8 -64.8 -44.9 94.2 16.2 11.3 77 79 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.895 109.6 53.1 -61.9 -39.0 94.5 19.0 8.8 78 80 A R H < S+ 0 0 56 -4,-2.3 -1,-0.2 38,-0.2 -2,-0.2 0.891 113.3 43.9 -62.9 -38.9 94.2 21.6 11.7 79 81 A K H < S+ 0 0 132 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.8 45.3 -74.8 -40.0 97.0 19.8 13.6 80 82 A L H < S+ 0 0 59 -4,-2.6 -36,-0.2 1,-0.3 -2,-0.2 0.659 121.4 38.1 -82.2 -15.9 99.4 19.3 10.6 81 83 A X >< + 0 0 0 -4,-1.6 3,-1.4 -5,-0.2 -1,-0.3 -0.456 68.1 156.4-131.4 63.4 98.9 22.9 9.3 82 84 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 72.3 50.1 -62.7 -19.4 98.7 25.0 12.5 83 85 A N T 3 S+ 0 0 135 -3,-0.1 2,-0.3 2,-0.1 -5,-0.0 0.400 95.4 90.8-102.4 6.1 99.8 28.3 10.8 84 86 A S S < S- 0 0 17 -3,-1.4 2,-0.8 -6,-0.2 -34,-0.1 -0.689 77.1-119.2-107.3 154.7 97.4 28.3 7.9 85 87 A R - 0 0 115 -36,-0.3 -34,-2.5 -37,-0.3 2,-0.3 -0.798 34.2-146.3 -84.2 112.9 93.9 29.6 7.4 86 88 A L E -d 51 0B 0 -2,-0.8 34,-3.1 31,-0.4 33,-1.4 -0.635 17.1-164.8 -82.2 142.0 91.8 26.5 6.6 87 89 A Q E -de 52 120B 0 -36,-2.4 -34,-2.5 -2,-0.3 -33,-1.0 -0.956 9.4-175.2-130.4 146.4 88.9 27.1 4.2 88 90 A X E -de 54 121B 0 32,-1.9 34,-2.7 -2,-0.3 2,-0.5 -0.914 24.9-125.1-134.3 162.5 85.8 25.1 3.3 89 91 A L E -de 55 122B 7 -35,-1.3 -33,-1.9 -2,-0.3 2,-0.4 -0.951 30.0-177.7-108.3 125.1 83.0 25.3 0.7 90 92 A L E - e 0 123B 0 32,-2.9 34,-2.3 -2,-0.5 2,-1.9 -0.990 25.8-140.6-129.7 125.8 79.5 25.3 2.3 91 93 A R > - 0 0 46 4,-1.4 3,-2.0 -2,-0.4 4,-0.3 -0.332 40.7-120.9 -86.8 61.2 76.3 25.3 0.3 92 94 A G G > S+ 0 0 0 -2,-1.9 3,-1.9 1,-0.3 41,-0.2 -0.073 86.4 4.4 46.9-127.5 74.4 27.6 2.6 93 95 A Q G 3 S+ 0 0 0 39,-1.6 8,-2.0 1,-0.3 -1,-0.3 0.687 131.9 57.9 -65.0 -18.9 71.1 26.3 4.1 94 96 A N G X S- 0 0 8 -3,-2.0 3,-2.4 1,-0.3 5,-0.4 0.557 86.5-170.4 -86.2 -9.3 71.8 22.9 2.4 95 97 A L T < - 0 0 1 -3,-1.9 -4,-1.4 -4,-0.3 -1,-0.3 -0.305 66.6 -38.8 52.2-126.9 75.1 22.7 4.3 96 98 A L T 3 S+ 0 0 20 -6,-0.1 -1,-0.3 -3,-0.1 -36,-0.2 0.268 122.7 95.0-108.7 11.6 76.9 19.7 2.7 97 99 A G S < S- 0 0 9 -3,-2.4 345,-0.1 2,-0.2 346,-0.1 0.045 86.7-100.0 -91.5-162.6 73.6 17.8 2.5 98 100 A Y S S+ 0 0 131 344,-0.5 2,-0.3 2,-0.1 -3,-0.1 0.383 93.6 21.5-104.9 -1.7 70.8 17.0 0.1 99 101 A R S S- 0 0 65 -5,-0.4 2,-0.2 -6,-0.1 -2,-0.2 -0.949 90.6 -75.0-155.1 174.3 68.1 19.5 1.3 100 102 A H - 0 0 16 -2,-0.3 2,-0.3 280,-0.2 -6,-0.2 -0.575 49.6-152.2 -74.3 140.0 67.5 22.7 3.1 101 103 A Y - 0 0 0 -8,-2.0 312,-0.1 -2,-0.2 -6,-0.1 -0.791 23.9 -91.9-112.7 159.1 67.8 22.3 6.9 102 104 A N >> - 0 0 20 -2,-0.3 3,-1.4 312,-0.2 4,-1.4 -0.337 45.6-105.8 -62.7 150.0 66.2 24.1 9.8 103 105 A D H 3> S+ 0 0 38 307,-0.3 4,-2.4 1,-0.3 5,-0.1 0.786 117.7 61.6 -50.0 -34.4 68.2 27.1 11.1 104 106 A E H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.844 102.0 50.4 -67.1 -34.2 69.3 25.1 14.2 105 107 A V H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.910 110.7 49.6 -68.9 -40.1 71.0 22.4 12.2 106 108 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.930 110.2 51.6 -62.3 -43.2 73.0 25.1 10.3 107 109 A D H X S+ 0 0 42 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.936 112.0 45.5 -59.5 -47.8 73.9 26.8 13.6 108 110 A R H X S+ 0 0 86 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.871 111.9 51.3 -66.2 -38.2 75.3 23.5 15.0 109 111 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.951 113.3 43.8 -65.0 -48.8 77.2 22.5 11.9 110 112 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.927 113.0 53.1 -62.4 -42.8 79.0 25.9 11.6 111 113 A D H X S+ 0 0 83 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.927 112.8 42.8 -58.9 -47.8 79.7 25.9 15.3 112 114 A K H X S+ 0 0 28 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.862 112.2 54.2 -68.7 -36.4 81.3 22.4 15.2 113 115 A S H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.3 0.953 113.3 42.7 -60.1 -47.9 83.2 23.2 12.0 114 116 A A H ><5S+ 0 0 11 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.915 112.6 53.3 -64.0 -43.2 84.7 26.3 13.7 115 117 A E H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 108.4 50.4 -61.3 -35.7 85.3 24.4 17.0 116 118 A N T 3<5S- 0 0 19 -4,-2.1 -1,-0.3 -5,-0.1 -38,-0.2 0.454 134.1 -82.7 -85.7 0.8 87.3 21.7 15.0 117 119 A G T < 5S+ 0 0 10 -3,-1.4 -31,-0.4 -4,-0.3 -3,-0.2 0.390 71.8 149.4 122.5 -6.7 89.4 24.3 13.3 118 120 A X < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -31,-0.1 -0.362 13.1 174.6 -65.1 137.1 87.8 25.9 10.2 119 121 A D + 0 0 39 -33,-1.4 27,-2.5 1,-0.3 2,-0.5 0.797 63.0 37.3-108.9 -48.7 88.9 29.5 9.6 120 122 A V E -ef 87 146B 2 -34,-3.1 -32,-1.9 25,-0.2 2,-0.6 -0.939 63.5-163.8-114.6 128.6 87.3 30.6 6.3 121 123 A F E -ef 88 147B 0 25,-2.8 27,-2.8 -2,-0.5 2,-1.0 -0.923 5.2-159.8-113.1 110.3 83.8 29.6 5.3 122 124 A R E -ef 89 148B 0 -34,-2.7 -32,-2.9 -2,-0.6 2,-0.5 -0.782 17.7-166.3 -88.4 104.2 83.0 30.1 1.6 123 125 A V E +ef 90 149B 0 25,-2.2 27,-1.7 -2,-1.0 2,-0.3 -0.808 14.4 166.3 -95.6 126.9 79.2 30.1 1.7 124 126 A F - 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0 0 32 -4,-0.6 3,-1.5 -5,-0.3 4,-0.5 -0.007 67.2 -28.9 89.3 162.6 56.7 15.7 -24.4 365 367 A E T 3 S- 0 0 135 1,-0.3 -5,-0.1 2,-0.1 -8,-0.1 -0.315 122.2 -29.3 -59.5 118.7 57.1 19.2 -23.0 366 368 A Y T 3 S+ 0 0 18 -10,-0.2 -1,-0.3 -2,-0.2 3,-0.2 0.715 95.2 133.0 43.5 30.4 56.7 19.1 -19.2 367 369 A K S < S+ 0 0 157 -3,-1.5 2,-0.5 1,-0.3 -1,-0.1 0.934 81.2 21.6 -69.1 -43.6 54.3 16.1 -19.5 368 370 A R S S- 0 0 146 -4,-0.5 2,-0.4 -12,-0.1 -1,-0.3 -0.979 78.8-170.1-126.9 116.2 56.3 14.4 -16.7 369 371 A X - 0 0 7 -2,-0.5 -13,-0.0 -3,-0.2 0, 0.0 -0.877 23.8-120.4-108.2 138.1 58.3 16.6 -14.3 370 372 A T > - 0 0 15 -2,-0.4 4,-2.2 -18,-0.2 5,-0.2 -0.289 28.1-113.1 -67.6 161.1 60.8 15.2 -11.8 371 373 A G H > S+ 0 0 45 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.863 117.9 52.0 -64.9 -33.5 60.1 16.0 -8.1 372 374 A E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 109.1 48.1 -69.1 -44.5 63.2 18.2 -8.0 373 375 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 110.2 53.0 -63.5 -41.4 62.3 20.2 -11.1 374 376 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.901 108.0 51.7 -58.6 -40.9 58.8 20.7 -9.6 375 377 A D H <>S+ 0 0 32 -4,-1.7 5,-2.5 2,-0.2 6,-0.6 0.892 109.1 49.3 -65.1 -41.4 60.4 22.0 -6.4 376 378 A I H ><5S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 5,-0.2 0.958 112.1 48.3 -61.9 -48.9 62.5 24.5 -8.3 377 379 A X H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 112.9 48.7 -61.9 -31.3 59.5 25.8 -10.3 378 380 A L T 3<5S- 0 0 1 -4,-1.8 27,-2.8 -5,-0.2 -1,-0.3 0.429 117.9-110.2 -91.6 2.0 57.5 26.1 -7.0 379 381 A G T X 5S+ 0 0 1 -3,-1.5 3,-1.1 -4,-0.4 -3,-0.2 0.596 76.9 131.3 84.9 12.7 60.2 28.0 -5.2 380 382 A Y T 3 - 0 0 65 -50,-1.9 4,-2.3 1,-0.2 3,-0.3 -0.499 31.7-152.1 -68.2 114.6 57.5 30.9 -16.4 390 392 A P H > S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.844 94.8 57.4 -55.0 -36.6 54.0 31.1 -14.8 391 393 A K H > S+ 0 0 159 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.932 111.6 40.6 -61.9 -46.0 52.7 28.6 -17.3 392 394 A V H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.815 111.6 57.5 -73.6 -30.2 55.2 26.0 -16.2 393 395 A V H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.953 105.7 50.3 -63.0 -47.1 54.7 27.0 -12.5 394 396 A K H X S+ 0 0 128 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.924 109.6 50.5 -56.6 -46.8 51.0 26.2 -12.8 395 397 A L H X S+ 0 0 75 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.885 108.2 53.4 -60.4 -39.0 51.8 22.8 -14.4 396 398 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.5 0.886 108.6 48.9 -64.3 -39.8 54.2 22.0 -11.5 397 399 A E H X S+ 0 0 72 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.857 110.1 51.5 -68.7 -34.0 51.5 22.8 -8.9 398 400 A E H < S+ 0 0 133 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.619 116.4 40.9 -79.4 -11.9 49.0 20.6 -10.7 399 401 A Q H < S+ 0 0 88 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.655 125.8 32.4-107.4 -21.6 51.5 17.7 -10.7 400 402 A S H < S- 0 0 46 -4,-1.8 -3,-0.2 2,-0.2 -2,-0.2 0.675 90.2-138.3-105.7 -25.8 52.9 18.1 -7.2 401 403 A G < + 0 0 69 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.1 0.484 62.0 129.9 78.7 0.0 49.9 19.4 -5.4 402 404 A K - 0 0 82 -6,-0.4 -1,-0.3 1,-0.0 -2,-0.2 -0.671 60.1-123.5 -89.5 143.8 52.2 21.8 -3.7 403 405 A K - 0 0 140 -2,-0.3 2,-0.0 -3,-0.1 -1,-0.0 -0.635 33.5-103.9 -85.0 140.9 51.4 25.6 -3.6 404 406 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.357 38.3-163.4 -64.4 142.4 54.1 27.9 -4.9 405 407 A I - 0 0 27 -27,-2.8 -23,-0.1 -23,-0.1 3,-0.0 -0.865 21.6-176.5-124.4 160.4 56.1 29.8 -2.3 406 408 A T + 0 0 119 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.408 59.2 88.2-133.8 -6.8 58.3 32.9 -2.7 407 409 A Q S S- 0 0 107 1,-0.2 -25,-0.1 -25,-0.1 -2,-0.1 -0.485 98.2 -67.6 -92.4 165.7 59.8 33.3 0.8 408 410 A R > - 0 0 31 -2,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.301 46.2-135.3 -53.1 123.7 63.0 31.6 2.1 409 411 A P G > S+ 0 0 9 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.837 99.6 62.8 -51.2 -40.7 62.2 27.8 2.3 410 412 A A G > S+ 0 0 4 1,-0.3 3,-0.9 2,-0.2 -307,-0.3 0.658 84.8 77.9 -64.9 -16.0 63.8 27.3 5.7 411 413 A D G < S+ 0 0 87 -3,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.782 97.0 46.8 -61.0 -25.8 61.1 29.6 7.2 412 414 A L G < S+ 0 0 114 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.551 89.8 102.7 -94.2 -9.1 58.7 26.7 6.9 413 415 A L < - 0 0 53 -3,-0.9 -310,-0.2 -4,-0.3 3,-0.1 -0.625 62.8-142.1 -84.8 130.1 61.0 24.0 8.4 414 416 A P - 0 0 89 0, 0.0 -312,-0.2 0, 0.0 -2,-0.1 -0.351 39.4 -73.8 -82.8 164.6 60.4 23.0 12.1 415 417 A P + 0 0 102 0, 0.0 4,-0.0 0, 0.0 -312,-0.0 -0.270 54.4 167.7 -55.1 144.4 63.1 22.2 14.7 416 418 A E > + 0 0 16 -3,-0.1 4,-2.6 2,-0.1 5,-0.2 0.420 44.0 97.7-140.9 -4.9 64.6 18.8 13.9 417 419 A W H > S+ 0 0 6 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 87.6 48.2 -58.1 -48.4 67.8 18.5 16.0 418 420 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 113.4 48.3 -59.3 -42.1 66.1 16.4 18.7 419 421 A K H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 113.6 46.7 -64.2 -42.9 64.5 14.1 16.1 420 422 A Q H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.932 111.7 51.6 -64.6 -45.7 67.9 13.6 14.3 421 423 A S H X S+ 0 0 16 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.893 110.5 47.6 -58.8 -43.2 69.7 13.0 17.6 422 424 A K H < S+ 0 0 117 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.938 114.1 45.7 -67.7 -46.5 67.3 10.3 18.7 423 425 A E H >< S+ 0 0 60 -4,-2.0 3,-1.2 1,-0.2 4,-0.2 0.891 113.1 50.5 -63.4 -40.0 67.3 8.4 15.4 424 426 A A H >< S+ 0 0 0 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.908 101.8 62.2 -65.1 -39.5 71.1 8.7 15.1 425 427 A A T 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.571 96.3 61.5 -64.3 -8.3 71.5 7.3 18.6 426 428 A T T < S+ 0 0 112 -3,-1.2 2,-0.4 -4,-0.3 -1,-0.3 0.503 83.0 98.3 -97.1 -3.4 69.8 4.0 17.5 427 429 A L S X S- 0 0 36 -3,-2.1 3,-1.9 -4,-0.2 2,-0.1 -0.687 81.5-113.8 -90.1 134.4 72.5 3.2 14.9 428 430 A K T 3 S+ 0 0 168 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.411 104.0 27.4 -61.7 132.7 75.3 0.7 15.8 429 431 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.1 0.144 80.1 145.6 100.5 -21.2 78.6 2.5 15.9 430 432 A F < - 0 0 45 -3,-1.9 -1,-0.3 -6,-0.2 -5,-0.0 -0.277 36.8-157.7 -51.5 129.4 77.1 6.0 16.8 431 433 A N - 0 0 77 2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.284 33.3-117.1 -99.6 12.1 79.7 7.7 19.0 432 434 A G S S+ 0 0 49 1,-0.2 2,-0.1 -8,-0.1 -2,-0.1 0.374 70.2 128.6 74.3 -4.4 77.3 10.1 20.7 433 435 A T S > S- 0 0 52 1,-0.1 4,-1.6 4,-0.0 3,-0.4 -0.434 70.2-121.4 -85.2 158.4 78.9 13.3 19.4 434 436 A D H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 114.3 64.8 -64.1 -30.0 77.0 16.1 17.6 435 437 A E H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 103.0 45.9 -58.2 -42.6 79.4 15.5 14.8 436 438 A D H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.848 110.0 53.3 -70.6 -35.5 77.9 12.0 14.3 437 439 A V H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.913 108.9 50.9 -65.1 -38.4 74.4 13.4 14.5 438 440 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.923 106.7 53.5 -63.7 -41.9 75.3 15.8 11.8 439 441 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 8,-0.3 0.928 111.9 45.7 -59.4 -41.2 76.7 13.0 9.7 440 442 A Y H < S+ 0 0 29 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.906 113.1 49.0 -68.1 -41.1 73.3 11.2 10.1 441 443 A A H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 117.1 42.0 -66.3 -36.3 71.3 14.4 9.3 442 444 A L H < S+ 0 0 0 -4,-2.8 -344,-0.5 1,-0.2 -2,-0.2 0.856 132.6 18.5 -79.9 -37.3 73.4 15.1 6.2 443 445 A F >X + 0 0 22 -4,-2.5 4,-2.8 -5,-0.3 3,-1.1 -0.534 66.3 168.2-137.8 70.1 73.6 11.5 4.8 444 446 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.790 79.9 48.1 -50.9 -36.2 70.8 9.4 6.4 445 447 A Q T 34 S+ 0 0 170 1,-0.1 4,-0.3 2,-0.1 -5,-0.1 0.671 118.8 37.4 -84.9 -19.6 71.3 6.5 4.0 446 448 A V T <> S+ 0 0 14 -3,-1.1 4,-2.7 -7,-0.2 3,-0.4 0.774 99.4 75.2-100.3 -33.1 75.1 6.2 4.3 447 449 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -8,-0.3 5,-0.3 0.868 92.5 55.1 -48.3 -47.1 75.5 7.0 8.0 448 450 A P H > S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.942 113.0 39.9 -55.2 -49.8 74.3 3.5 9.1 449 451 A V H > S+ 0 0 88 -3,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.920 116.5 51.1 -66.3 -43.1 76.8 1.6 7.0 450 452 A F H >X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-0.6 0.945 107.4 51.6 -61.0 -48.8 79.6 4.1 7.8 451 453 A F H 3< S+ 0 0 6 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.844 110.0 51.1 -58.6 -32.8 79.1 3.9 11.6 452 454 A E H 3< S+ 0 0 101 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.814 121.4 30.6 -76.5 -27.5 79.2 0.1 11.4 453 455 A H H X< S+ 0 0 59 -4,-1.4 3,-2.5 -3,-0.6 4,-0.3 0.559 88.3 97.6-108.5 -11.1 82.5 0.0 9.5 454 456 A R G >< S+ 0 0 42 -4,-2.4 3,-2.1 1,-0.3 -385,-0.1 0.808 74.7 67.8 -48.8 -36.7 84.3 3.2 10.7 455 457 A A G 3 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 85.9 69.7 -60.5 -19.4 86.3 1.2 13.3 456 458 A E G < S- 0 0 111 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.691 108.1-124.2 -72.5 -18.1 88.2 -0.6 10.4 457 459 A G < - 0 0 24 -3,-2.1 -1,-0.1 -4,-0.3 -2,-0.1 -0.012 40.5 -45.0 92.9 161.2 89.9 2.7 9.7 458 460 A P - 0 0 73 0, 0.0 2,-0.2 0, 0.0 -391,-0.2 -0.281 58.1-163.2 -65.6 146.6 90.1 4.7 6.4 459 461 A H - 0 0 78 -393,-2.3 2,-0.4 -394,-0.0 -426,-0.2 -0.669 12.1-126.6-120.6 176.4 90.8 2.9 3.2 460 462 A S - 0 0 41 -2,-0.2 -429,-0.1 2,-0.1 4,-0.0 -0.954 8.4-164.2-126.1 145.7 91.9 3.9 -0.3 461 463 A V + 0 0 60 -431,-0.4 2,-0.1 -2,-0.4 3,-0.1 0.257 61.8 108.1-109.1 8.9 90.2 3.1 -3.6 462 464 A A S S- 0 0 12 -432,-0.2 -175,-0.2 1,-0.1 -2,-0.1 -0.420 83.2 -89.9 -81.4 160.5 93.3 4.0 -5.6 463 465 A L - 0 0 26 -177,-2.8 2,-0.2 -2,-0.1 -1,-0.1 -0.366 42.8-123.9 -66.6 148.4 95.5 1.5 -7.3 464 466 A T > - 0 0 73 1,-0.1 4,-3.0 -3,-0.1 5,-0.2 -0.500 26.9-104.7 -86.9 166.8 98.3 0.1 -5.1 465 467 A D H > S+ 0 0 121 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.922 125.2 52.7 -56.8 -40.6 102.0 0.4 -6.3 466 468 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 112.0 43.7 -60.4 -45.6 101.8 -3.4 -7.0 467 469 A Q H > S+ 0 0 101 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.879 115.1 49.9 -68.6 -37.2 98.6 -2.9 -9.1 468 470 A L H >X S+ 0 0 40 -4,-3.0 3,-0.9 2,-0.2 4,-0.7 0.969 115.5 41.3 -64.9 -52.0 100.1 0.2 -10.8 469 471 A K H >< S+ 0 0 177 -4,-3.4 3,-0.7 1,-0.3 -2,-0.2 0.830 110.9 59.0 -64.1 -32.0 103.4 -1.6 -11.6 470 472 A A H 3< S+ 0 0 82 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.743 101.7 54.5 -69.9 -22.6 101.4 -4.7 -12.6 471 473 A E H << 0 0 89 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.656 360.0 360.0 -84.9 -16.2 99.5 -2.6 -15.2 472 474 A A << 0 0 121 -3,-0.7 -3,-0.0 -4,-0.7 0, 0.0 -0.303 360.0 360.0-105.8 360.0 102.9 -1.6 -16.8