==== 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 13-JAN-04 1S3H . 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) . 19647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 9.5 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 . 19 4.0 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 . 171 36.2 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 1 0 2 2 3 2 0 3 1 4 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 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 0 191 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.1 96.2 53.0 -29.1 2 4 A R - 0 0 233 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.040 360.0-120.3 -84.6-169.4 93.8 53.2 -26.1 3 5 A E - 0 0 188 -2,-0.0 2,-0.5 2,-0.0 -1,-0.0 -0.980 9.0-148.8-143.1 150.9 94.8 52.6 -22.4 4 6 A I - 0 0 79 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.978 19.3-132.8-125.7 124.4 93.7 50.2 -19.6 5 7 A E - 0 0 131 -2,-0.5 2,-0.3 226,-0.0 -2,-0.0 -0.521 27.6-172.2 -72.9 133.5 93.8 51.2 -16.0 6 8 A V - 0 0 73 -2,-0.3 225,-0.2 225,-0.1 224,-0.1 -0.929 27.5 -97.1-129.2 153.8 95.5 48.6 -13.7 7 9 A S - 0 0 16 223,-2.4 3,-0.1 -2,-0.3 225,-0.1 -0.298 50.9 -88.9 -69.4 153.2 95.8 48.3 -9.9 8 10 A E - 0 0 99 1,-0.1 -1,-0.1 224,-0.0 224,-0.0 -0.118 58.9 -78.0 -55.8 153.0 98.9 49.5 -8.2 9 11 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 255,-0.2 -0.253 76.5 136.9 -52.6 144.3 101.8 47.1 -7.7 10 12 A R E -a 264 0A 46 253,-1.1 255,-2.1 -3,-0.1 2,-0.3 -0.980 55.6 -76.7-178.6 168.5 100.9 44.7 -4.8 11 13 A E E -a 265 0A 123 -2,-0.3 2,-0.5 253,-0.2 255,-0.2 -0.604 37.5-148.3 -81.6 144.6 100.9 41.2 -3.4 12 14 A V E -a 266 0A 1 253,-2.9 255,-0.6 -2,-0.3 2,-0.2 -0.954 15.9-130.4-113.2 128.6 98.1 38.9 -4.7 13 15 A G E -b 235 0B 18 221,-2.9 223,-2.3 -2,-0.5 2,-0.4 -0.534 18.6-154.9 -80.4 148.3 96.9 36.2 -2.3 14 16 A I E -b 236 0B 4 33,-0.3 35,-3.2 221,-0.2 36,-0.9 -0.983 6.7-158.9-127.7 133.2 96.6 32.6 -3.4 15 17 A T E -bc 237 50B 0 221,-1.7 223,-2.6 -2,-0.4 2,-0.4 -0.941 18.7-139.2-106.1 124.4 94.3 29.9 -2.0 16 18 A E E -bc 238 51B 0 34,-1.8 36,-2.2 -2,-0.5 223,-0.2 -0.698 19.3-177.9 -84.9 133.9 95.5 26.3 -2.7 17 19 A L > > + 0 0 0 221,-2.0 3,-2.5 -2,-0.4 5,-1.8 0.487 52.2 105.6-109.2 -3.9 92.7 23.9 -3.7 18 20 A V T 3 >S+ 0 0 0 220,-0.3 5,-0.6 1,-0.3 -1,-0.1 0.825 78.0 55.2 -47.8 -39.8 94.7 20.7 -4.1 19 21 A L T 3 5S+ 0 0 0 33,-0.3 -1,-0.3 -3,-0.1 34,-0.1 0.625 128.8 0.3 -74.9 -11.6 93.4 19.3 -0.8 20 22 A R T <>5S+ 0 0 0 -3,-2.5 4,-1.8 32,-0.3 3,-0.3 0.406 130.2 31.4-136.4 -82.5 89.7 19.6 -1.7 21 23 A D H >5S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.833 111.6 63.1 -58.6 -36.6 88.3 20.9 -5.0 22 24 A A H >< S- 0 0 0 -4,-2.0 3,-2.2 -5,-0.3 264,-0.2 -0.118 106.2 -97.3-140.8 47.7 89.4 12.3 -9.5 28 30 A A T 3 S- 0 0 39 -4,-0.3 -4,-0.3 1,-0.3 -3,-0.1 0.788 72.2 -72.5 45.9 41.4 85.8 12.2 -8.2 29 31 A T T 3 S+ 0 0 5 -6,-2.2 -1,-0.3 1,-0.1 -5,-0.2 0.769 101.1 129.3 51.9 30.4 86.8 13.3 -4.7 30 32 A R < + 0 0 48 -3,-2.2 431,-0.4 -7,-0.5 2,-0.2 0.417 23.1 135.1 -94.6 3.2 88.4 9.9 -4.1 31 33 A M - 0 0 0 -11,-0.1 2,-0.1 -4,-0.1 5,-0.0 -0.335 53.0-134.6 -56.3 118.6 91.7 11.3 -2.9 32 34 A A > - 0 0 1 -2,-0.2 3,-0.9 1,-0.1 4,-0.2 -0.398 10.1-123.5 -75.5 154.1 92.6 9.3 0.3 33 35 A M G >> S+ 0 0 21 1,-0.2 4,-2.3 426,-0.2 3,-1.6 0.837 109.6 60.6 -68.4 -32.5 93.8 11.0 3.4 34 36 A E G 34 S+ 0 0 138 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.703 102.1 54.6 -70.1 -15.8 97.0 9.0 3.5 35 37 A D G <4 S+ 0 0 10 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.466 115.3 38.4 -94.0 -0.3 97.9 10.4 0.1 36 38 A M T X> S+ 0 0 0 -3,-1.6 3,-2.5 -4,-0.2 4,-0.6 0.798 96.1 70.6-114.1 -45.2 97.5 14.0 1.3 37 39 A V G >< S+ 0 0 47 -4,-2.3 3,-1.0 1,-0.3 4,-0.5 0.753 87.7 69.8 -50.0 -31.9 98.9 14.4 4.9 38 40 A G G 34 S+ 0 0 52 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.517 103.8 42.3 -66.9 -1.2 102.5 14.0 3.7 39 41 A A G <> S+ 0 0 0 -3,-2.5 4,-3.1 2,-0.1 5,-0.3 0.472 86.2 94.2-118.4 -9.1 102.3 17.4 2.0 40 42 A C H S+ 0 0 66 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.964 114.0 40.0 -64.5 -49.9 103.8 20.5 6.3 42 44 A D H >> S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.944 114.9 52.4 -63.6 -46.8 105.1 22.0 3.0 43 45 A I H 3X>S+ 0 0 1 -4,-3.1 4,-0.5 1,-0.3 5,-0.5 0.871 108.1 53.5 -55.2 -36.5 101.6 23.3 2.1 44 46 A D H 3<5S+ 0 0 25 -4,-2.0 -1,-0.3 -5,-0.3 3,-0.2 0.835 114.6 39.6 -69.9 -32.1 101.5 25.0 5.5 45 47 A A H <<5S+ 0 0 41 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.423 91.4 92.3 -97.0 0.5 104.9 26.7 4.9 46 48 A A H <5S- 0 0 1 -4,-1.0 223,-2.1 -3,-0.4 -1,-0.2 0.913 97.1-115.4 -63.9 -41.8 104.1 27.6 1.3 47 49 A G T <5 + 0 0 26 -4,-0.5 -33,-0.3 -3,-0.2 220,-0.2 0.619 53.1 164.5 113.1 22.1 102.7 31.0 2.0 48 50 A Y < - 0 0 24 -5,-0.5 37,-0.2 1,-0.1 -33,-0.2 -0.336 42.6-136.0 -69.7 151.4 99.1 30.5 0.9 49 51 A W S S- 0 0 41 -35,-3.2 2,-0.3 1,-0.3 36,-0.3 0.886 87.5 -13.1 -72.7 -38.8 96.4 33.0 2.0 50 52 A S E -c 15 0B 0 -36,-0.9 -34,-1.8 34,-0.1 2,-0.5 -0.976 61.3-134.8-155.9 162.0 94.2 30.0 2.7 51 53 A V E -cd 16 86B 0 34,-2.5 36,-2.2 -2,-0.3 2,-0.6 -0.940 15.7-144.6-127.6 106.9 94.0 26.2 2.0 52 54 A E E + d 0 87B 0 -36,-2.2 -33,-0.3 -2,-0.5 -32,-0.3 -0.607 42.2 144.8 -71.3 118.6 90.7 24.8 0.9 53 55 A C E + 0 0 0 34,-2.3 2,-0.3 -2,-0.6 35,-0.2 0.276 50.9 38.2-141.1 11.6 90.6 21.3 2.6 54 56 A W E S+ d 0 88B 0 33,-1.0 35,-0.9 20,-0.0 -33,-0.1 -0.932 80.5 37.5-154.0 176.9 87.0 20.5 3.6 55 57 A G E > S+ d 0 89B 0 -2,-0.3 3,-1.4 33,-0.2 2,-0.2 -0.163 71.6 81.6 71.0-169.3 83.4 20.8 2.6 56 58 A G T 3 S- 0 0 18 33,-1.9 3,-0.4 1,-0.2 4,-0.3 -0.527 118.2 -27.8 71.0-137.2 82.1 20.4 -0.9 57 59 A T T 3> S+ 0 0 54 -2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.444 118.5 92.2 -91.0 -0.8 81.7 16.7 -1.9 58 60 A T H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.864 81.9 54.7 -65.6 -33.3 84.5 15.6 0.5 59 61 A Y H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 5,-0.3 0.973 113.3 41.5 -61.7 -52.6 82.1 14.9 3.4 60 62 A D H > S+ 0 0 31 -4,-0.3 4,-3.1 1,-0.2 5,-0.4 0.962 115.3 50.6 -56.2 -55.2 80.0 12.6 1.2 61 63 A S H X>S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-1.4 0.891 108.1 54.7 -54.0 -43.1 83.0 10.9 -0.4 62 64 A C H X>S+ 0 0 0 -4,-2.6 6,-2.3 -5,-0.2 4,-0.9 0.970 118.6 29.6 -57.8 -57.8 84.5 10.3 3.1 63 65 A I H <5S+ 0 0 6 -4,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.798 125.7 46.3 -77.1 -26.2 81.6 8.4 4.6 64 66 A R H <5S+ 0 0 111 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.896 131.1 7.3 -86.2 -39.8 80.3 6.9 1.3 65 67 A F H <5S+ 0 0 83 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.663 130.8 40.3-120.0 -17.9 83.5 5.6 -0.3 66 68 A L T <> - 0 0 16 -2,-0.4 4,-2.1 1,-0.2 3,-0.6 -0.762 13.5-150.8 -88.7 113.3 85.1 10.5 9.3 70 72 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.885 97.9 55.4 -48.0 -43.2 85.1 14.0 7.7 71 73 A W H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 105.3 50.5 -61.1 -41.0 85.5 15.4 11.2 72 74 A E H <> S+ 0 0 95 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.908 109.6 51.8 -65.3 -36.7 88.6 13.4 11.8 73 75 A R H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.894 108.9 50.8 -64.6 -38.3 90.0 14.6 8.5 74 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.879 110.8 49.0 -67.5 -35.7 89.2 18.2 9.6 75 77 A R H X S+ 0 0 84 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.856 110.0 50.2 -73.8 -34.4 91.0 17.7 12.9 76 78 A T H X S+ 0 0 32 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.941 112.0 47.4 -69.5 -43.5 94.1 16.2 11.3 77 79 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.946 109.8 53.2 -61.2 -44.5 94.4 19.1 8.8 78 80 A R H < S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 116.3 41.1 -57.3 -34.0 94.0 21.6 11.6 79 81 A K H < S+ 0 0 134 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.876 117.8 43.6 -84.0 -40.6 96.8 19.8 13.4 80 82 A L H < S+ 0 0 57 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.769 121.0 41.5 -78.0 -25.1 99.2 19.2 10.4 81 83 A M S >< S+ 0 0 0 -4,-3.0 3,-1.1 -5,-0.3 -1,-0.2 -0.469 71.2 156.0-121.2 64.9 98.6 22.7 9.1 82 84 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.770 70.9 45.2 -58.5 -34.1 98.7 24.8 12.3 83 85 A N T 3 S+ 0 0 139 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.497 97.4 94.8 -94.0 0.2 99.7 28.2 10.8 84 86 A S S < S- 0 0 16 -3,-1.1 2,-0.8 -6,-0.1 -34,-0.1 -0.571 76.3-121.4 -98.2 154.2 97.3 28.1 7.9 85 87 A R - 0 0 114 -36,-0.3 -34,-2.5 -37,-0.2 2,-0.3 -0.825 33.6-145.0 -85.7 113.2 93.8 29.5 7.4 86 88 A L E -d 51 0B 0 -2,-0.8 34,-3.0 31,-0.4 33,-1.1 -0.601 17.7-165.8 -80.8 144.1 91.7 26.5 6.6 87 89 A Q E -de 52 120B 0 -36,-2.2 -34,-2.3 -2,-0.3 -33,-1.0 -0.937 9.1-179.1-131.5 151.6 88.9 27.0 4.1 88 90 A M E -de 54 121B 0 32,-1.8 34,-2.4 -2,-0.3 2,-0.5 -0.924 27.4-121.3-143.6 167.5 85.8 25.1 3.1 89 91 A L E +de 55 122B 7 -35,-0.9 -33,-1.9 -2,-0.3 2,-0.4 -0.972 31.0 179.6-113.8 121.3 82.8 25.3 0.7 90 92 A L E - e 0 123B 0 32,-2.6 34,-1.8 -2,-0.5 2,-1.7 -0.993 26.4-138.4-128.7 126.5 79.4 25.2 2.4 91 93 A R > - 0 0 47 4,-1.4 3,-2.1 -2,-0.4 4,-0.4 -0.462 39.0-119.5 -89.9 70.2 76.1 25.4 0.4 92 94 A G G > S+ 0 0 0 -2,-1.7 3,-1.6 1,-0.3 41,-0.2 0.037 87.8 2.6 39.4-123.5 74.2 27.7 2.7 93 95 A Q G 3 S+ 0 0 1 39,-1.2 8,-1.8 1,-0.3 -1,-0.3 0.653 133.7 58.7 -69.0 -12.4 70.9 26.5 4.2 94 96 A N G X S- 0 0 7 -3,-2.1 3,-2.8 1,-0.2 5,-0.4 0.556 84.3-173.7 -90.3 -10.9 71.7 23.1 2.5 95 97 A L T < - 0 0 1 -3,-1.6 -4,-1.4 -4,-0.4 -1,-0.2 -0.251 68.3 -42.5 49.1-131.7 75.0 22.8 4.3 96 98 A L T 3 S+ 0 0 20 -6,-0.2 -1,-0.3 -3,-0.1 -36,-0.1 0.127 119.8 105.0-110.1 19.6 76.7 19.8 2.8 97 99 A G S < S- 0 0 12 -3,-2.8 345,-0.1 2,-0.2 346,-0.1 -0.027 83.9-105.7 -89.6-168.0 73.4 17.9 2.8 98 100 A Y S S+ 0 0 135 344,-0.4 2,-0.3 2,-0.1 -3,-0.1 0.352 94.6 14.7-103.1 1.4 70.7 16.9 0.4 99 101 A R S S- 0 0 65 -5,-0.4 -2,-0.2 -6,-0.1 2,-0.2 -0.960 92.5 -70.9-160.6 175.9 68.0 19.5 1.4 100 102 A H - 0 0 17 -2,-0.3 2,-0.3 -3,-0.0 -6,-0.2 -0.505 50.1-154.1 -73.1 147.1 67.4 22.8 3.3 101 103 A Y - 0 0 0 -8,-1.8 312,-0.1 -2,-0.2 5,-0.1 -0.909 24.3 -92.2-124.6 154.6 67.6 22.4 7.0 102 104 A N >> - 0 0 18 -2,-0.3 3,-2.2 312,-0.3 4,-1.1 -0.302 46.0-106.4 -59.5 146.9 66.1 24.3 9.9 103 105 A D H 3> S+ 0 0 42 1,-0.3 4,-2.6 307,-0.3 3,-0.2 0.822 116.7 66.9 -44.7 -40.3 68.3 27.1 11.2 104 106 A E H 3> S+ 0 0 53 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.827 99.6 50.5 -58.3 -30.1 69.2 25.1 14.4 105 107 A V H <> S+ 0 0 0 -3,-2.2 4,-2.7 2,-0.2 -1,-0.3 0.908 109.2 50.9 -74.2 -37.3 71.0 22.5 12.3 106 108 A V H X S+ 0 0 0 -4,-1.1 4,-2.8 -3,-0.2 5,-0.4 0.967 106.5 54.7 -61.7 -49.8 73.0 25.2 10.5 107 109 A D H X S+ 0 0 44 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.931 112.8 42.6 -48.0 -52.5 74.0 26.8 13.8 108 110 A R H X S+ 0 0 84 -4,-1.6 4,-3.2 1,-0.2 5,-0.3 0.929 112.4 51.7 -63.7 -47.9 75.4 23.5 15.0 109 111 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.936 115.9 40.8 -56.2 -49.1 77.2 22.5 11.8 110 112 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.975 114.1 54.8 -61.2 -51.8 79.0 25.8 11.6 111 113 A D H X S+ 0 0 78 -4,-2.8 4,-2.9 -5,-0.4 -2,-0.2 0.898 111.9 42.2 -44.5 -57.1 79.6 25.7 15.3 112 114 A K H X S+ 0 0 29 -4,-3.2 4,-1.9 2,-0.2 -1,-0.3 0.845 112.4 54.4 -64.8 -36.0 81.3 22.3 15.2 113 115 A S H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.3 -2,-0.2 0.962 113.9 41.2 -61.9 -50.1 83.3 23.2 12.0 114 116 A A H ><5S+ 0 0 11 -4,-3.1 3,-2.1 1,-0.2 -2,-0.2 0.945 114.4 52.6 -59.9 -50.0 84.7 26.3 13.7 115 117 A E H 3<5S+ 0 0 119 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.799 108.8 50.3 -59.2 -31.7 85.3 24.4 16.9 116 118 A N T 3<5S- 0 0 20 -4,-1.9 -1,-0.3 -5,-0.2 -38,-0.2 0.366 134.0 -85.0 -91.9 8.6 87.2 21.7 15.0 117 119 A G T < 5S+ 0 0 9 -3,-2.1 -31,-0.4 1,-0.3 -3,-0.2 0.421 73.4 147.1 114.8 -6.4 89.4 24.3 13.3 118 120 A M < + 0 0 0 -5,-2.8 -1,-0.3 -6,-0.2 -31,-0.1 -0.449 15.3 175.2 -67.6 136.3 87.7 25.7 10.2 119 121 A D + 0 0 34 -33,-1.1 27,-2.1 1,-0.3 2,-0.5 0.769 62.0 40.9-109.9 -43.1 88.7 29.4 9.7 120 122 A V E -ef 87 146B 2 -34,-3.0 -32,-1.8 25,-0.2 2,-0.6 -0.944 63.7-165.1-117.9 120.2 87.2 30.5 6.4 121 123 A F E -ef 88 147B 0 25,-2.6 27,-2.6 -2,-0.5 2,-1.1 -0.882 6.3-158.9-105.4 113.9 83.7 29.5 5.4 122 124 A R E -ef 89 148B 0 -34,-2.4 -32,-2.6 -2,-0.6 2,-0.4 -0.776 18.2-168.7 -92.3 97.8 82.8 30.0 1.7 123 125 A V E +ef 90 149B 0 25,-1.6 27,-1.6 -2,-1.1 2,-0.3 -0.704 15.3 159.0 -89.2 134.0 79.0 30.1 1.8 124 126 A F - 0 0 16 -34,-1.8 2,-0.3 -2,-0.4 27,-0.1 -0.943 30.1-142.7-150.0 169.2 77.1 29.9 -1.5 125 127 A D > - 0 0 4 25,-0.3 3,-1.2 -2,-0.3 27,-0.3 -0.998 17.3-137.7-140.6 133.5 73.7 29.0 -3.1 126 128 A A T 3 S+ 0 0 3 -2,-0.3 220,-0.2 1,-0.3 -1,-0.1 0.854 110.5 43.7 -57.8 -38.3 73.1 27.3 -6.4 127 129 A M T 3 S- 0 0 6 254,-0.2 -1,-0.3 216,-0.1 218,-0.0 0.511 111.7-121.6 -84.6 -8.0 70.2 29.7 -7.2 128 130 A N < + 0 0 13 -3,-1.2 -2,-0.1 1,-0.2 3,-0.1 0.835 56.2 159.0 67.7 32.2 72.3 32.7 -6.0 129 131 A D >> - 0 0 5 252,-0.2 3,-2.5 1,-0.2 4,-0.7 -0.776 32.2-158.5 -92.0 100.0 69.5 33.4 -3.4 130 132 A P H 3> S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.717 89.0 66.3 -48.1 -27.4 71.2 35.5 -0.7 131 133 A R H 3> S+ 0 0 67 1,-0.2 4,-0.6 2,-0.2 251,-0.0 0.798 96.6 53.6 -69.5 -28.7 68.5 34.5 1.7 132 134 A N H <4 S+ 0 0 0 -3,-2.5 -39,-1.2 1,-0.2 4,-0.3 0.717 114.3 42.2 -78.5 -17.7 69.7 30.9 1.6 133 135 A M H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.4 5,-0.2 0.727 94.2 88.2 -95.8 -24.8 73.2 32.0 2.6 134 136 A A H X S+ 0 0 33 -4,-1.8 4,-2.0 1,-0.2 -2,-0.1 0.851 90.4 38.4 -41.4 -63.7 72.0 34.5 5.2 135 137 A H H X S+ 0 0 45 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.890 114.2 54.7 -65.7 -38.1 71.8 32.3 8.3 136 138 A A H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.940 108.6 50.0 -57.3 -46.9 75.0 30.4 7.5 137 139 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.919 109.7 51.5 -56.6 -46.1 76.8 33.7 7.2 138 140 A A H X S+ 0 0 47 -4,-2.0 4,-3.2 -5,-0.2 -2,-0.2 0.948 107.7 50.7 -58.2 -52.8 75.5 34.8 10.6 139 141 A A H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.895 109.4 52.8 -53.3 -42.4 76.6 31.5 12.3 140 142 A V H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 -1,-0.2 0.942 111.2 44.9 -60.9 -48.6 80.1 32.0 10.9 141 143 A K H ><5S+ 0 0 84 -4,-2.4 3,-2.6 1,-0.2 -2,-0.2 0.933 109.4 57.0 -61.0 -44.1 80.3 35.6 12.3 142 144 A K H 3<5S+ 0 0 163 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.913 105.9 49.8 -52.1 -45.1 78.9 34.4 15.6 143 145 A A T 3<5S- 0 0 38 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.306 118.7-115.7 -78.6 11.7 81.8 31.9 15.9 144 146 A G T < 5S+ 0 0 60 -3,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.717 72.1 133.2 62.7 22.9 84.2 34.7 15.1 145 147 A K < - 0 0 60 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.2 -0.541 66.1 -85.9-102.2 170.1 85.2 33.1 11.8 146 148 A H E -f 120 0B 36 -27,-2.1 -25,-2.6 -2,-0.2 2,-0.7 -0.626 37.4-155.0 -79.0 121.4 85.6 34.6 8.3 147 149 A A E -f 121 0B 0 -2,-0.5 30,-3.3 28,-0.3 31,-1.1 -0.872 8.5-169.7-101.7 114.8 82.3 34.6 6.3 148 150 A Q E -fg 122 178B 0 -27,-2.6 -25,-1.6 -2,-0.7 2,-0.2 -0.899 11.7-148.8-108.6 108.1 82.9 34.7 2.5 149 151 A G E -fg 123 179B 0 29,-1.7 31,-3.8 -2,-0.7 2,-0.4 -0.549 17.6-142.4 -73.5 138.4 79.7 35.3 0.6 150 152 A T E - g 0 180B 0 -27,-1.6 2,-0.6 -2,-0.2 -25,-0.3 -0.872 16.2-164.4-114.1 139.2 79.7 33.5 -2.8 151 153 A I E - g 0 181B 1 29,-2.8 31,-2.2 -2,-0.4 2,-0.9 -0.963 20.1-142.9-112.7 108.2 78.4 34.7 -6.2 152 154 A C E - g 0 182B 2 -2,-0.6 31,-0.2 -27,-0.3 29,-0.1 -0.651 22.3-141.4 -77.0 109.9 78.1 31.7 -8.6 153 155 A Y + 0 0 25 29,-2.4 2,-0.3 -2,-0.9 31,-0.2 -0.298 34.8 148.6 -68.3 154.4 79.1 33.2 -11.9 154 156 A T - 0 0 8 190,-0.1 2,-0.5 33,-0.1 29,-0.0 -0.947 43.4-108.6-172.8 168.4 77.3 32.2 -15.1 155 157 A I + 0 0 74 -2,-0.3 5,-0.1 149,-0.1 33,-0.0 -0.956 50.7 133.7-116.2 126.4 76.3 33.5 -18.5 156 158 A S > - 0 0 14 -2,-0.5 3,-1.5 3,-0.4 -2,-0.1 -0.976 66.1 -97.5-163.4 161.2 72.6 34.3 -19.2 157 159 A P T 3 S+ 0 0 105 0, 0.0 185,-0.0 0, 0.0 -2,-0.0 0.582 123.8 43.1 -60.2 -11.9 70.4 37.0 -20.7 158 160 A V T 3 S+ 0 0 57 184,-0.1 2,-0.6 228,-0.0 5,-0.0 0.427 91.2 94.8-116.6 -1.8 69.6 38.3 -17.3 159 161 A H < + 0 0 32 -3,-1.5 -3,-0.4 4,-0.0 2,-0.3 -0.839 51.0 157.8 -95.5 120.8 73.1 38.2 -15.8 160 162 A T > - 0 0 72 -2,-0.6 4,-1.6 1,-0.1 5,-0.2 -0.898 56.9-104.1-135.6 163.8 74.9 41.5 -16.1 161 163 A V H >> S+ 0 0 54 -2,-0.3 4,-2.4 1,-0.2 3,-0.6 0.933 125.2 51.1 -53.0 -49.1 77.8 43.3 -14.3 162 164 A E H 3> S+ 0 0 161 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.916 105.9 55.3 -55.1 -46.0 75.2 45.4 -12.6 163 165 A G H 3> S+ 0 0 33 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.823 110.3 45.4 -59.7 -30.1 73.4 42.3 -11.5 164 166 A Y H S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-0.4 0.919 115.3 43.2 -59.8 -43.1 76.3 39.7 0.6 172 174 A L H ><5S+ 0 0 49 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.888 107.5 60.9 -68.5 -38.1 78.1 42.6 2.3 173 175 A D H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.9 50.8 -60.5 -25.8 74.8 43.8 3.7 174 176 A M T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.070 131.9 -91.4-100.9 26.4 74.6 40.4 5.6 175 177 A G T < 5 + 0 0 35 -3,-2.1 -28,-0.3 1,-0.2 -3,-0.2 0.705 58.4 176.0 78.5 24.6 78.1 40.8 7.0 176 178 A A < - 0 0 12 -5,-1.8 -1,-0.2 1,-0.2 -28,-0.2 -0.402 23.7-154.6 -63.5 130.4 80.3 39.1 4.4 177 179 A D S S- 0 0 60 -30,-3.3 32,-0.4 1,-0.3 2,-0.3 0.681 80.0 -8.9 -78.6 -15.7 84.0 39.5 5.4 178 180 A S E S-g 148 0B 1 -31,-1.1 -29,-1.7 30,-0.1 2,-0.5 -0.950 72.4-113.3-172.0 158.7 84.8 39.1 1.7 179 181 A I E -gh 149 210B 1 30,-3.2 32,-2.4 -2,-0.3 2,-0.6 -0.896 21.5-155.1-108.7 128.0 83.1 38.2 -1.6 180 182 A A E -gh 150 211B 0 -31,-3.8 -29,-2.8 -2,-0.5 2,-0.8 -0.866 4.1-154.1-103.1 123.1 84.0 35.0 -3.6 181 183 A L E -gh 151 212B 4 30,-3.0 32,-2.8 -2,-0.6 2,-0.6 -0.882 19.1-164.5 -93.9 110.4 83.3 35.0 -7.3 182 184 A X E +gh 152 213B 3 -31,-2.2 -29,-2.4 -2,-0.8 2,-0.5 -0.882 17.5 175.2-104.7 115.8 82.9 31.2 -8.0 183 185 A D E > + h 0 214B 0 30,-3.1 32,-1.6 -2,-0.6 3,-1.2 -0.763 5.7 168.1-120.8 83.5 83.1 30.1 -11.7 184 186 A M T 3 S+ 0 0 58 -2,-0.5 33,-0.2 1,-0.3 -1,-0.1 0.749 77.5 47.9 -69.4 -26.5 82.8 26.3 -11.6 185 187 A A T 3 S- 0 0 22 -32,-0.2 -1,-0.3 30,-0.1 122,-0.1 0.193 108.5-117.5-104.0 18.7 82.3 25.9 -15.4 186 188 A A S < S+ 0 0 0 -3,-1.2 34,-0.3 1,-0.1 32,-0.1 0.888 70.7 137.5 49.7 45.4 85.2 28.2 -16.4 187 189 A L + 0 0 16 -34,-0.1 2,-0.9 2,-0.1 -1,-0.1 0.613 32.0 106.5 -93.9 -14.0 82.7 30.6 -18.1 188 190 A L - 0 0 0 -5,-0.1 36,-0.2 -35,-0.1 -5,-0.1 -0.552 55.7-163.3 -75.4 106.6 84.4 33.8 -16.8 189 191 A K > - 0 0 92 -2,-0.9 4,-2.2 35,-0.1 5,-0.2 -0.327 30.5-100.0 -82.0 166.2 86.2 35.4 -19.8 190 192 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.874 116.2 45.0 -55.1 -49.4 88.9 38.1 -19.4 191 193 A Q H > S+ 0 0 103 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.957 116.7 46.2 -65.9 -47.6 87.0 41.3 -20.1 192 194 A P H > S+ 0 0 37 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.891 110.6 54.9 -58.5 -40.1 84.0 40.3 -17.8 193 195 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 113.7 41.4 -60.6 -42.6 86.6 39.2 -15.2 194 196 A Y H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.962 117.0 46.4 -70.3 -50.9 88.1 42.7 -15.3 195 197 A D H X S+ 0 0 62 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.927 114.9 45.8 -60.8 -48.1 84.8 44.6 -15.5 196 198 A I H X S+ 0 0 3 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.957 115.3 45.7 -61.9 -49.9 83.0 42.7 -12.7 197 199 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.4 -1,-0.2 0.843 117.5 45.7 -62.9 -32.5 86.0 42.9 -10.3 198 200 A K H X S+ 0 0 35 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.912 110.2 52.9 -75.3 -43.4 86.4 46.6 -11.1 199 201 A A H X S+ 0 0 21 -4,-3.2 4,-2.2 -5,-0.2 5,-0.2 0.900 111.1 46.9 -60.4 -41.1 82.7 47.4 -10.8 200 202 A I H X S+ 0 0 3 -4,-2.3 4,-2.8 -5,-0.2 5,-0.4 0.950 115.1 45.5 -65.8 -48.1 82.6 45.8 -7.4 201 203 A K H X S+ 0 0 19 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.898 114.1 49.1 -61.4 -42.5 85.8 47.6 -6.2 202 204 A D H < S+ 0 0 113 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.892 117.0 42.0 -66.4 -38.5 84.6 50.9 -7.7 203 205 A T H < S+ 0 0 84 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.952 130.1 20.8 -76.5 -53.2 81.1 50.6 -6.0 204 206 A Y H < S- 0 0 69 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.468 116.1-103.3 -99.5 0.3 81.9 49.3 -2.5 205 207 A G >< - 0 0 22 -4,-1.5 3,-1.8 -5,-0.4 -1,-0.2 0.093 29.5 -78.1 97.7 152.5 85.6 50.4 -2.4 206 208 A Q T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -4,-0.1 -4,-0.1 0.745 119.8 67.2 -59.3 -29.8 89.1 49.0 -2.6 207 209 A K T 3 S+ 0 0 179 -3,-0.1 2,-0.3 -6,-0.1 -1,-0.3 0.760 72.8 108.8 -67.4 -21.7 89.0 47.5 0.9 208 210 A T S < S- 0 0 13 -3,-1.8 2,-0.4 -7,-0.2 -30,-0.1 -0.402 71.3-136.8 -56.8 116.0 86.2 45.1 -0.2 209 211 A Q - 0 0 43 -32,-0.4 -30,-3.2 -2,-0.3 2,-0.4 -0.661 25.3-176.1 -83.1 129.4 88.0 41.7 -0.3 210 212 A I E -h 179 0B 0 -2,-0.4 25,-2.0 -32,-0.2 24,-1.3 -0.983 11.6-163.6-129.3 133.2 87.3 39.5 -3.3 211 213 A N E -hi 180 235B 0 -32,-2.4 -30,-3.0 -2,-0.4 2,-0.6 -0.968 11.2-148.8-117.3 130.8 88.5 36.0 -4.1 212 214 A L E -hi 181 236B 0 23,-2.8 25,-2.8 -2,-0.5 2,-0.6 -0.894 11.2-173.2-106.2 118.1 88.3 34.6 -7.6 213 215 A H E +h 182 0B 0 -32,-2.8 -30,-3.1 -2,-0.6 2,-0.4 -0.921 15.9 168.9-109.9 104.3 87.7 30.8 -8.0 214 216 A C E -h 183 0B 0 -2,-0.6 36,-0.6 23,-0.5 -30,-0.2 -0.949 24.0-146.3-122.0 139.8 88.0 29.8 -11.6 215 217 A H B -J 249 0C 6 -32,-1.6 34,-0.3 -2,-0.4 3,-0.2 -0.459 15.6-134.8 -90.6 171.7 88.2 26.3 -13.2 216 218 A S > + 0 0 4 32,-1.9 3,-1.0 30,-0.4 30,-0.3 0.268 66.7 121.1-112.1 11.3 90.2 25.7 -16.3 217 219 A T T 3 S+ 0 0 36 31,-0.5 80,-1.8 1,-0.3 -1,-0.1 0.777 84.6 32.0 -44.5 -41.4 87.5 23.6 -18.1 218 220 A T T 3 S- 0 0 2 78,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.564 105.4-125.8 -97.4 -13.9 87.3 25.9 -21.1 219 221 A G S < S+ 0 0 47 -3,-1.0 -2,-0.1 27,-0.2 -3,-0.1 0.546 87.4 89.6 84.2 9.5 91.0 27.0 -21.1 220 222 A V >> + 0 0 37 -34,-0.3 4,-0.9 1,-0.1 3,-0.5 0.393 59.4 88.2-115.9 0.1 90.5 30.8 -20.9 221 223 A T H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.782 75.4 64.4 -78.2 -26.2 90.4 31.4 -17.2 222 224 A E H 3> S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.847 105.0 49.3 -65.6 -24.9 94.1 31.9 -16.5 223 225 A V H <> S+ 0 0 84 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.842 108.3 53.5 -77.4 -29.9 93.9 35.0 -18.7 224 226 A S H X S+ 0 0 0 -4,-0.9 4,-3.2 2,-0.2 -2,-0.2 0.870 103.7 56.8 -68.0 -37.7 90.8 36.1 -16.7 225 227 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.923 107.3 47.8 -60.4 -44.3 93.0 35.7 -13.5 226 228 A M H X S+ 0 0 35 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.938 114.2 46.9 -63.3 -44.3 95.5 38.1 -15.0 227 229 A K H X S+ 0 0 46 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.885 110.1 52.7 -65.4 -36.9 92.7 40.5 -15.8 228 230 A A H X>S+ 0 0 0 -4,-3.2 5,-2.8 1,-0.2 4,-0.5 0.919 109.7 49.5 -64.7 -40.4 91.1 40.1 -12.4 229 231 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.0 3,-0.3 -222,-0.3 0.913 110.0 49.5 -65.5 -40.2 94.4 41.0 -10.8 230 232 A E H 3<5S+ 0 0 39 -4,-2.3 -223,-2.4 1,-0.3 -1,-0.2 0.880 110.1 52.4 -65.8 -31.8 94.8 44.1 -13.0 231 233 A A H 3<5S- 0 0 7 -4,-2.0 -1,-0.3 -225,-0.2 -2,-0.2 0.566 131.1 -98.2 -77.8 -10.3 91.2 45.0 -12.0 232 234 A G T <<5 + 0 0 9 -3,-1.0 -3,-0.3 -4,-0.5 -22,-0.2 0.708 56.4 173.4 103.7 22.5 92.3 44.6 -8.4 233 235 A V < - 0 0 0 -5,-2.8 -1,-0.2 -8,-0.2 -22,-0.1 -0.357 21.3-151.5 -64.1 146.3 91.3 41.1 -7.2 234 236 A D S S+ 0 0 45 -24,-1.3 -221,-2.9 1,-0.3 2,-0.4 0.879 71.4 12.8 -88.4 -46.4 92.6 40.2 -3.8 235 237 A V E -bi 13 211B 4 -25,-2.0 -23,-2.8 -223,-0.2 2,-0.4 -0.994 60.3-162.5-137.2 142.7 93.0 36.4 -3.9 236 238 A V E -bi 14 212B 0 -223,-2.3 -221,-1.7 -2,-0.4 2,-0.4 -0.975 20.4-128.7-123.6 139.4 92.8 33.9 -6.7 237 239 A D E +b 15 0B 0 -25,-2.8 -23,-0.5 -2,-0.4 13,-0.4 -0.733 35.6 164.8 -89.8 133.2 92.3 30.1 -6.2 238 240 A T E -b 16 0B 0 -223,-2.6 -221,-2.0 -2,-0.4 2,-0.4 -0.888 28.6-132.0-140.0 170.2 94.7 27.8 -7.9 239 241 A A B -k 251 0D 0 11,-2.4 13,-2.2 -2,-0.3 14,-0.2 -0.975 39.9 -92.4-127.3 139.5 95.8 24.1 -7.7 240 242 A I > - 0 0 0 -2,-0.4 3,-3.2 11,-0.2 9,-0.1 -0.250 45.2-112.0 -52.0 131.0 99.3 22.7 -7.5 241 243 A S G > S+ 0 0 35 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.727 115.1 60.6 -40.5 -39.5 100.5 22.1 -11.1 242 244 A S G 3 S+ 0 0 16 1,-0.3 -1,-0.3 42,-0.0 -2,-0.1 0.534 114.2 39.6 -73.8 1.8 100.7 18.2 -10.8 243 245 A M G < S+ 0 0 0 -3,-3.2 6,-0.3 -4,-0.1 -1,-0.3 -0.259 101.8 97.1-140.5 49.9 96.9 18.5 -10.0 244 246 A S < + 0 0 13 -3,-1.1 6,-0.2 4,-0.1 -4,-0.1 -0.774 48.3 36.5-136.4 176.8 95.6 21.1 -12.4 245 247 A L S > S+ 0 0 75 4,-3.2 3,-2.5 -2,-0.2 -29,-0.2 -0.161 78.4 70.2 73.5-167.7 93.9 21.9 -15.8 246 248 A G T 3 S- 0 0 2 49,-0.5 -30,-0.4 -30,-0.3 -27,-0.2 -0.363 130.7 -22.1 58.2-146.7 91.2 19.9 -17.3 247 249 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 -30,-0.2 0.379 133.6 84.8 -74.2 6.2 88.0 20.4 -15.2 248 250 A G S < S- 0 0 0 -3,-2.5 -32,-1.9 1,-0.2 -31,-0.5 0.447 87.6 -86.9 -80.1-136.1 90.5 21.3 -12.5 249 251 A H B -J 215 0C 0 -6,-0.3 -4,-3.2 -34,-0.3 -1,-0.2 -0.702 46.2 -71.7-133.0-179.4 92.0 24.8 -12.0 250 252 A N - 0 0 5 -36,-0.6 -11,-2.4 -13,-0.4 2,-0.3 -0.442 62.3 -89.9 -76.0 155.0 94.9 26.9 -13.2 251 253 A P B > -k 239 0D 9 0, 0.0 4,-3.2 0, 0.0 5,-0.3 -0.503 24.5-146.0 -71.3 126.1 98.4 25.9 -12.0 252 254 A T H > S+ 0 0 0 -13,-2.2 4,-2.0 -2,-0.3 5,-0.2 0.924 103.0 44.8 -56.6 -49.2 99.6 27.6 -8.8 253 255 A E H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 114.0 51.4 -65.7 -35.0 103.2 27.7 -9.9 254 256 A S H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.929 112.0 44.9 -66.6 -44.9 102.0 28.9 -13.3 255 257 A V H < S+ 0 0 1 -4,-3.2 4,-0.3 1,-0.2 -2,-0.2 0.817 115.1 49.8 -69.7 -28.3 99.9 31.7 -11.8 256 258 A A H < S+ 0 0 3 -4,-2.0 3,-0.4 -5,-0.3 10,-0.2 0.869 114.4 43.4 -77.2 -36.0 102.8 32.6 -9.5 257 259 A E H >< S+ 0 0 99 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.843 99.8 67.5 -79.7 -36.6 105.4 32.7 -12.2 258 260 A M T 3< S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.668 93.3 63.4 -61.8 -15.3 103.4 34.6 -14.9 259 261 A L T > + 0 0 2 -3,-0.4 3,-3.3 -4,-0.3 5,-0.5 0.683 66.8 127.2 -85.5 -17.1 103.5 37.8 -12.7 260 262 A E T < S+ 0 0 172 -3,-1.6 5,-0.1 1,-0.3 -3,-0.0 -0.122 85.2 7.4 -47.0 123.2 107.3 38.3 -12.7 261 263 A G T 3 S+ 0 0 81 3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.364 99.9 103.2 87.0 -5.1 107.8 41.9 -13.8 262 264 A T S < S- 0 0 61 -3,-3.3 -2,-0.1 2,-0.4 3,-0.1 0.651 95.4-113.3 -82.6 -15.9 104.2 43.0 -13.8 263 265 A G S S+ 0 0 39 1,-0.5 -253,-1.1 -4,-0.4 2,-0.3 0.255 91.9 104.6 97.9 -11.7 104.5 44.9 -10.5 264 266 A Y E +a 10 0A 14 -5,-0.5 -1,-0.5 -255,-0.2 -2,-0.4 -0.793 50.3 176.9 -98.7 147.1 102.2 42.2 -9.1 265 267 A T E -a 11 0A 78 -255,-2.1 -253,-2.9 -2,-0.3 2,-0.3 -0.970 22.4-134.3-148.4 162.3 103.7 39.5 -6.9 266 268 A T E -a 12 0A 16 -2,-0.3 -253,-0.1 -255,-0.2 -255,-0.0 -0.815 18.2-131.5-114.8 159.5 102.8 36.5 -4.8 267 269 A N + 0 0 93 -255,-0.6 2,-0.3 -2,-0.3 -254,-0.0 -0.196 62.5 131.8-100.5 42.9 103.9 35.5 -1.3 268 270 A L - 0 0 18 -12,-0.1 2,-0.8 -15,-0.0 -221,-0.2 -0.751 57.2-133.7-105.1 147.2 104.7 31.9 -2.2 269 271 A D > - 0 0 70 -223,-2.1 4,-2.6 -2,-0.3 5,-0.2 -0.827 15.7-160.3 -93.6 104.3 107.8 29.8 -1.5 270 272 A Y H > S+ 0 0 92 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.830 88.9 55.5 -60.4 -33.6 108.7 28.2 -4.9 271 273 A D H > S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.954 110.3 46.0 -65.6 -43.6 110.8 25.5 -3.2 272 274 A R H >> S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 3,-1.1 0.962 110.9 52.3 -59.2 -50.6 107.9 24.5 -1.0 273 275 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.848 105.7 57.6 -52.4 -35.0 105.6 24.5 -4.0 274 276 A H H 3X S+ 0 0 83 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.820 105.8 47.7 -67.6 -33.5 108.1 22.2 -5.7 275 277 A K H X S+ 0 0 46 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.966 113.4 34.2 -54.0 -56.5 104.3 14.8 -3.8 280 282 A F H 3X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.775 111.0 64.5 -72.5 -24.1 101.0 14.7 -5.7 281 283 A K H 3< S+ 0 0 125 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.853 106.0 44.4 -67.3 -30.7 102.8 13.9 -9.0 282 284 A A H << S+ 0 0 78 -4,-1.9 4,-0.2 -3,-0.5 -1,-0.2 0.854 119.9 41.6 -78.7 -34.0 103.9 10.5 -7.5 283 285 A I H >< S+ 0 0 17 -4,-1.3 3,-1.7 -5,-0.2 4,-0.3 0.878 97.6 73.9 -81.4 -40.0 100.5 9.9 -6.0 284 286 A R G >< S+ 0 0 54 -4,-3.2 3,-3.2 1,-0.3 -1,-0.1 0.853 83.3 66.3 -50.0 -47.0 98.2 10.9 -8.9 285 287 A P G > S+ 0 0 64 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.825 91.0 65.1 -45.3 -34.5 98.8 8.0 -11.1 286 288 A K G < S+ 0 0 26 -3,-1.7 177,-3.0 1,-0.3 3,-0.3 0.596 97.3 57.0 -65.3 -10.6 97.1 5.6 -8.6 287 289 A Y G X + 0 0 0 -3,-3.2 3,-2.5 -4,-0.3 -1,-0.3 0.217 68.0 119.0-107.3 19.0 93.8 7.5 -9.3 288 290 A K G X + 0 0 107 -3,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.826 63.8 67.7 -54.8 -35.8 93.8 6.8 -13.0 289 291 A K G 3 S+ 0 0 133 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.634 105.4 43.2 -63.1 -9.1 90.5 4.9 -12.9 290 292 A F G < S+ 0 0 56 -3,-2.5 -1,-0.3 2,-0.1 -262,-0.2 0.334 85.9 117.2-119.5 11.0 88.7 8.1 -11.9 291 293 A E < - 0 0 54 -3,-1.7 2,-0.2 -4,-0.2 -264,-0.1 -0.404 59.8-125.5 -80.3 155.7 90.3 10.7 -14.3 292 294 A S - 0 0 65 -266,-0.4 -1,-0.1 -2,-0.1 -2,-0.1 -0.507 11.6-138.8 -89.5 167.3 88.3 12.6 -17.0 293 295 A K S S+ 0 0 196 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.102 74.0 80.5-122.3 28.6 89.4 12.5 -20.6 294 296 A T + 0 0 85 1,-0.1 3,-0.1 3,-0.0 -2,-0.1 -0.963 43.5 178.8-135.1 115.6 88.9 16.1 -21.9 295 297 A L S S+ 0 0 123 -2,-0.4 -49,-0.5 1,-0.3 2,-0.4 0.838 75.7 21.6 -83.0 -37.6 91.5 18.8 -21.0 296 298 A V + 0 0 94 -51,-0.1 2,-0.3 -78,-0.1 -1,-0.3 -0.997 60.5 165.9-136.9 138.1 89.9 21.7 -22.9 297 299 A D + 0 0 54 -80,-1.8 3,-0.2 -2,-0.4 10,-0.1 -0.877 11.0 169.9-153.6 115.0 86.2 22.2 -23.9 298 300 A T > + 0 0 79 -2,-0.3 3,-2.4 1,-0.1 4,-0.5 0.347 54.1 106.1-104.6 1.0 84.8 25.6 -25.1 299 301 A S T >> + 0 0 46 1,-0.3 3,-2.2 2,-0.2 4,-2.0 0.866 67.6 69.9 -49.6 -39.8 81.5 24.0 -26.3 300 302 A I H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.741 85.7 67.3 -55.1 -23.7 79.7 25.5 -23.2 301 303 A F H <4 S+ 0 0 60 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.839 112.3 31.8 -69.1 -26.1 80.2 29.0 -24.7 302 304 A K H <4 S+ 0 0 197 -3,-2.2 -2,-0.2 -4,-0.5 -1,-0.2 0.829 130.9 32.0 -95.6 -36.6 77.7 28.1 -27.4 303 305 A S H < S- 0 0 22 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.604 85.5-136.7-100.9 -13.4 75.4 25.6 -25.6 304 306 A Q < + 0 0 60 -4,-2.1 -4,-0.1 -5,-0.3 -3,-0.1 0.623 68.3 123.6 65.3 9.4 75.4 26.9 -22.0 305 307 A I - 0 0 0 -6,-0.2 2,-0.2 4,-0.0 -1,-0.2 -0.916 57.8-140.4-113.0 122.1 75.7 23.2 -21.1 306 308 A P >> - 0 0 25 0, 0.0 4,-2.8 0, 0.0 3,-1.3 -0.516 25.1-115.7 -75.8 137.8 78.6 21.9 -18.9 307 309 A G H 3> S+ 0 0 35 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.844 115.5 53.4 -39.6 -52.5 80.2 18.6 -19.9 308 310 A G H 3> S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.876 114.7 42.7 -54.5 -38.4 79.1 16.8 -16.7 309 311 A M H <> S+ 0 0 9 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.899 113.2 52.1 -74.2 -42.3 75.5 18.0 -17.4 310 312 A L H X S+ 0 0 50 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.952 113.2 43.8 -59.6 -50.4 75.7 17.1 -21.1 311 313 A S H X S+ 0 0 69 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.947 108.0 57.6 -61.3 -51.2 77.0 13.6 -20.5 312 314 A N H X S+ 0 0 53 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.880 111.1 44.8 -47.5 -42.6 74.5 12.9 -17.7 313 315 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.952 106.8 58.1 -68.6 -47.6 71.7 13.7 -20.1 314 316 A E H X S+ 0 0 83 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.855 107.2 48.9 -51.1 -39.5 73.2 11.6 -23.0 315 317 A S H X S+ 0 0 45 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.932 107.5 53.3 -67.4 -44.7 73.1 8.5 -20.7 316 318 A Q H < S+ 0 0 52 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.862 109.9 51.7 -56.2 -34.2 69.4 9.2 -19.8 317 319 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.838 113.5 40.3 -74.4 -36.4 68.8 9.3 -23.5 318 320 A R H >< S+ 0 0 131 -4,-1.6 3,-1.9 -3,-0.2 -2,-0.2 0.921 107.7 60.7 -78.1 -43.3 70.5 5.9 -24.3 319 321 A A T 3< S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.603 110.4 47.0 -56.7 -9.4 69.1 4.3 -21.2 320 322 A Q T 3 S- 0 0 99 1,-0.4 -1,-0.3 -5,-0.3 2,-0.1 -0.315 115.2-119.4-127.6 46.1 65.8 5.2 -22.9 321 323 A G S < S+ 0 0 47 -3,-1.9 2,-0.5 1,-0.1 -1,-0.4 -0.323 93.3 60.3 59.2-121.9 66.7 3.9 -26.4 322 324 A A + 0 0 51 1,-0.2 3,-0.3 -2,-0.1 -4,-0.1 -0.135 53.4 156.5 -43.5 91.4 66.6 6.7 -29.1 323 325 A E > + 0 0 82 -2,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.740 53.3 91.2 -89.8 -29.2 69.3 9.0 -27.6 324 326 A D T > + 0 0 113 1,-0.3 3,-1.0 2,-0.1 4,-0.2 0.630 67.0 82.2 -40.7 -15.9 69.9 10.4 -31.0 325 327 A K T >> + 0 0 74 -3,-0.3 4,-2.2 1,-0.2 3,-0.6 0.260 58.5 107.5 -75.7 14.2 67.3 12.9 -29.8 326 328 A M H <> S+ 0 0 26 -3,-1.4 4,-2.6 1,-0.3 -1,-0.2 0.888 71.7 57.3 -58.6 -40.5 70.3 14.5 -28.0 327 329 A D H <4 S+ 0 0 132 -3,-1.0 -1,-0.3 1,-0.2 4,-0.2 0.830 108.4 47.8 -61.6 -30.1 70.1 17.4 -30.6 328 330 A E H X> S+ 0 0 99 -3,-0.6 4,-1.0 -4,-0.2 3,-0.9 0.925 113.9 43.3 -76.9 -46.1 66.5 17.9 -29.4 329 331 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.810 107.3 61.6 -69.6 -29.6 67.1 17.9 -25.7 330 332 A M H 3< S+ 0 0 73 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.657 109.1 43.6 -71.1 -12.9 70.2 20.1 -26.2 331 333 A A H <> S+ 0 0 44 -3,-0.9 4,-0.6 -4,-0.2 -1,-0.2 0.636 108.4 57.1-103.6 -19.3 67.8 22.7 -27.6 332 334 A E H X S+ 0 0 10 -4,-1.0 4,-2.7 2,-0.2 3,-0.3 0.812 91.8 72.1 -80.5 -32.5 65.2 22.3 -24.9 333 335 A V H X S+ 0 0 0 -4,-1.7 4,-3.5 1,-0.2 5,-0.3 0.946 94.0 51.7 -47.0 -62.2 67.6 23.0 -22.0 334 336 A P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.869 114.0 45.5 -44.3 -43.0 67.9 26.8 -22.8 335 337 A R H X S+ 0 0 134 -4,-0.6 4,-1.9 -3,-0.3 -2,-0.2 0.885 113.5 48.1 -71.6 -40.1 64.1 27.0 -22.8 336 338 A V H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.942 111.6 50.5 -66.7 -45.8 63.7 25.0 -19.6 337 339 A R H >X>S+ 0 0 2 -4,-3.5 5,-1.8 1,-0.2 3,-1.1 0.971 108.4 51.9 -53.2 -57.2 66.4 27.1 -17.9 338 340 A K H ><5S+ 0 0 133 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.883 106.9 54.4 -46.6 -45.2 64.6 30.3 -18.9 339 341 A A H 3<5S+ 0 0 3 -4,-1.9 50,-1.3 1,-0.3 -1,-0.3 0.871 107.1 50.5 -59.4 -36.9 61.4 28.9 -17.4 340 342 A A H <<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-1.1 -2,-0.2 0.470 129.3 -96.2 -82.6 -2.2 63.2 28.3 -14.1 341 343 A G T <<5 - 0 0 0 -3,-1.5 45,-1.5 -4,-0.6 -3,-0.2 0.719 62.3 -73.5 95.7 22.0 64.5 31.8 -14.1 342 344 A F < - 0 0 18 -5,-1.8 -4,-0.1 -6,-0.2 -1,-0.1 0.960 66.3-170.8 57.8 56.5 68.0 31.3 -15.5 343 345 A P - 0 0 0 0, 0.0 -216,-0.1 0, 0.0 -1,-0.1 -0.514 37.7 -92.9 -76.2 149.6 69.5 29.6 -12.4 344 346 A P - 0 0 0 0, 0.0 2,-1.8 0, 0.0 6,-0.1 -0.416 42.5-118.0 -59.1 139.8 73.3 29.1 -12.7 345 347 A L S S+ 0 0 18 4,-0.1 2,-0.2 -41,-0.1 -36,-0.1 -0.502 71.2 117.7 -86.2 73.1 73.7 25.6 -14.1 346 348 A V > - 0 0 20 -2,-1.8 4,-2.6 -220,-0.2 3,-0.3 -0.753 66.8 -28.8-125.0 171.5 75.6 24.0 -11.1 347 349 A T T 4 S+ 0 0 81 1,-0.3 -221,-0.1 -2,-0.2 -1,-0.1 -0.439 127.0 6.8 -63.3 136.5 74.6 21.1 -8.9 348 350 A P T >> S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.991 127.8 55.7 -95.0 -10.3 71.7 20.5 -8.3 349 351 A S H 3> S+ 0 0 2 -3,-0.3 4,-3.2 1,-0.2 5,-0.3 0.890 104.5 59.0 -46.0 -46.8 70.1 22.9 -10.7 350 352 A S H 3X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.881 110.7 38.7 -56.5 -44.2 72.0 21.4 -13.6 351 353 A Q H <> S+ 0 0 71 -3,-0.7 4,-3.1 -5,-0.2 5,-0.3 0.915 115.5 53.7 -74.9 -37.5 70.6 17.9 -13.1 352 354 A I H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.927 117.2 37.2 -59.4 -46.2 67.1 19.2 -12.2 353 355 A V H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.923 117.5 51.2 -71.7 -47.4 67.0 21.3 -15.5 354 356 A G H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.950 112.5 44.9 -55.8 -53.5 68.8 18.7 -17.6 355 357 A T H >X S+ 0 0 17 -4,-3.1 4,-1.7 1,-0.2 3,-1.4 0.960 112.8 50.2 -55.4 -55.7 66.5 15.8 -16.5 356 358 A Q H 3< S+ 0 0 0 -4,-1.8 4,-0.4 -5,-0.3 10,-0.3 0.870 103.5 61.1 -53.1 -39.3 63.3 17.9 -17.0 357 359 A A H >X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 3,-0.6 0.862 104.8 49.7 -56.9 -35.2 64.6 18.9 -20.4 358 360 A V H XX S+ 0 0 3 -3,-1.4 4,-2.6 -4,-1.2 3,-1.6 0.966 104.0 55.1 -68.4 -51.9 64.4 15.2 -21.3 359 361 A F H 3<>S+ 0 0 37 -4,-1.7 5,-1.4 1,-0.3 8,-0.4 0.514 108.8 53.5 -60.7 -1.8 60.9 14.7 -20.0 360 362 A N H <45S+ 0 0 11 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.660 110.9 41.6-102.9 -26.8 60.0 17.5 -22.4 361 363 A V H <<5S+ 0 0 22 -3,-1.6 -2,-0.2 -4,-0.9 -3,-0.1 0.676 125.6 40.2 -89.9 -20.7 61.6 15.9 -25.5 362 364 A M T <5S+ 0 0 44 -4,-2.6 -3,-0.2 2,-0.2 3,-0.1 0.824 130.9 9.8 -90.3 -97.9 60.1 12.5 -24.4 363 365 A M T 5S- 0 0 54 1,-0.2 2,-0.2 5,-0.1 -3,-0.2 0.916 121.3 -80.6 -53.1 -48.9 56.6 12.6 -23.0 364 366 A G >>< - 0 0 21 -5,-1.4 3,-1.7 4,-0.2 4,-0.6 -0.808 64.4 -43.3 156.1 164.0 56.0 16.2 -24.0 365 367 A E T 34 S- 0 0 128 1,-0.3 -5,-0.2 -2,-0.2 4,-0.1 -0.362 122.3 -29.9 -60.1 107.0 56.8 19.7 -22.9 366 368 A Y T 34 S+ 0 0 13 -2,-0.5 -1,-0.3 -10,-0.3 3,-0.2 0.700 94.5 137.2 57.6 21.4 56.1 19.6 -19.1 367 369 A K T <4 S+ 0 0 137 -3,-1.7 2,-0.3 -8,-0.4 -2,-0.1 0.874 86.2 10.5 -62.3 -28.2 53.4 16.9 -19.7 368 370 A R S < S- 0 0 127 -4,-0.6 2,-0.3 -9,-0.4 -1,-0.3 -0.969 77.9-163.7-150.7 127.7 55.1 15.5 -16.7 369 371 A M - 0 0 9 -2,-0.3 -4,-0.0 -3,-0.2 2,-0.0 -0.859 24.3-114.1-114.6 148.8 57.6 17.2 -14.3 370 372 A T > - 0 0 14 -2,-0.3 4,-2.2 -18,-0.2 5,-0.2 -0.316 31.7-112.8 -70.6 164.1 60.0 15.6 -11.8 371 373 A G H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.832 118.2 53.7 -69.0 -30.3 59.3 16.4 -8.1 372 374 A E H > S+ 0 0 88 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 108.8 47.2 -67.9 -50.7 62.6 18.3 -8.0 373 375 A F H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.946 109.8 52.9 -56.7 -49.6 61.7 20.5 -11.0 374 376 A A H 3X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.895 106.8 55.5 -51.9 -40.2 58.3 21.2 -9.6 375 377 A D H 3X>S+ 0 0 28 -4,-1.6 5,-2.3 2,-0.2 4,-0.9 0.834 107.8 47.0 -63.2 -37.1 60.0 22.4 -6.4 376 378 A I H <<5S+ 0 0 1 -4,-1.6 3,-0.5 -3,-0.7 -1,-0.2 0.934 112.3 49.4 -70.9 -44.8 62.2 24.9 -8.3 377 379 A M H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.775 114.6 45.9 -64.2 -28.0 59.3 26.3 -10.3 378 380 A L H <5S- 0 0 0 -4,-1.7 27,-2.4 -5,-0.3 -1,-0.2 0.627 117.0-111.8 -92.8 -15.4 57.3 26.7 -7.0 379 381 A G T ><5S+ 0 0 1 -4,-0.9 3,-1.0 -3,-0.5 -3,-0.2 0.582 74.9 130.8 99.7 11.9 60.1 28.2 -5.1 380 382 A Y T 3 - 0 0 65 -50,-1.3 4,-2.1 -51,-0.2 5,-0.2 -0.348 35.3-148.5 -55.5 107.9 57.4 31.6 -16.4 390 392 A P H > S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.813 94.4 59.5 -50.9 -32.6 54.0 32.0 -14.6 391 393 A K H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.997 108.3 39.8 -58.6 -67.8 52.6 29.4 -17.0 392 394 A V H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.782 112.7 59.9 -54.1 -29.8 55.0 26.5 -16.1 393 395 A V H X S+ 0 0 25 -4,-2.1 4,-2.4 2,-0.2 3,-0.4 0.977 106.5 44.9 -62.4 -53.6 54.6 27.7 -12.5 394 396 A K H X S+ 0 0 131 -4,-2.4 4,-2.7 -3,-0.3 5,-0.3 0.933 109.7 55.8 -53.4 -51.1 50.9 27.1 -12.6 395 397 A L H X S+ 0 0 70 -4,-2.3 4,-2.2 1,-0.3 -1,-0.3 0.856 109.5 47.1 -51.2 -39.8 51.4 23.7 -14.3 396 398 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.4 5,-0.5 0.880 107.9 55.3 -71.8 -38.7 53.7 22.7 -11.4 397 399 A E H X S+ 0 0 69 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.942 113.7 42.1 -57.2 -44.3 51.1 23.9 -8.9 398 400 A E H < S+ 0 0 124 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 116.2 46.9 -72.8 -36.1 48.5 21.6 -10.6 399 401 A Q H < S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.719 124.2 31.2 -82.0 -17.6 50.9 18.6 -11.1 400 402 A S H < S- 0 0 48 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.821 87.9-136.9-106.1 -43.1 52.2 18.7 -7.5 401 403 A G < + 0 0 63 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.1 0.333 66.0 124.1 97.6 -7.5 49.4 20.1 -5.4 402 404 A K - 0 0 81 -6,-0.4 -1,-0.5 -5,-0.1 -2,-0.2 -0.628 61.0-127.5 -85.0 147.9 51.9 22.2 -3.6 403 405 A K - 0 0 152 -2,-0.3 2,-0.1 -3,-0.1 -25,-0.0 -0.703 30.7 -99.2 -95.4 146.7 51.3 26.0 -3.5 404 406 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.375 38.6-165.3 -65.0 138.7 54.1 28.4 -4.7 405 407 A I - 0 0 28 -27,-2.4 -23,-0.1 -23,-0.1 3,-0.0 -0.815 17.8-177.8-118.3 162.6 56.2 30.1 -2.0 406 408 A T + 0 0 114 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.387 56.1 89.2-139.4 -3.9 58.5 33.1 -2.3 407 409 A Q S S- 0 0 109 1,-0.2 -25,-0.1 2,-0.1 5,-0.1 -0.524 100.0 -63.6 -94.6 164.9 60.0 33.5 1.2 408 410 A R > - 0 0 30 -2,-0.2 3,-2.3 1,-0.2 4,-0.3 -0.232 50.1-134.4 -47.5 120.9 63.2 31.8 2.4 409 411 A P G > S+ 0 0 10 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.838 102.4 61.2 -48.3 -40.2 62.3 28.0 2.3 410 412 A A G > S+ 0 0 3 1,-0.3 3,-0.8 2,-0.2 -307,-0.3 0.647 83.6 81.4 -65.8 -14.3 63.7 27.4 5.7 411 413 A D G < S+ 0 0 87 -3,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.720 96.9 43.2 -64.3 -17.9 61.2 29.8 7.2 412 414 A L G < S+ 0 0 110 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.515 91.0 104.5-104.2 -9.7 58.7 26.9 7.0 413 415 A L < - 0 0 56 -3,-0.8 -310,-0.2 -4,-0.3 3,-0.1 -0.558 63.3-139.1 -79.0 136.7 61.0 24.2 8.4 414 416 A P - 0 0 85 0, 0.0 -312,-0.3 0, 0.0 -2,-0.1 -0.442 36.2 -77.4 -88.7 164.1 60.4 23.1 12.0 415 417 A P + 0 0 96 0, 0.0 4,-0.0 0, 0.0 -312,-0.0 -0.289 53.0 165.5 -57.3 146.1 63.1 22.3 14.6 416 418 A E > + 0 0 16 -3,-0.1 4,-3.3 2,-0.1 5,-0.2 0.456 43.6 99.1-142.7 -12.6 64.6 18.9 13.9 417 419 A W H > S+ 0 0 6 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.931 90.4 45.4 -47.5 -55.4 67.8 18.6 15.9 418 420 A E H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 113.9 49.8 -56.1 -45.8 66.1 16.7 18.7 419 421 A K H > S+ 0 0 130 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.873 115.5 44.0 -61.2 -36.2 64.4 14.5 16.1 420 422 A Q H X S+ 0 0 12 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.969 110.0 55.8 -70.6 -51.6 67.8 13.9 14.4 421 423 A S H X S+ 0 0 21 -4,-3.8 4,-1.7 -5,-0.2 -2,-0.2 0.885 110.4 43.7 -45.0 -55.8 69.6 13.4 17.7 422 424 A K H X S+ 0 0 113 -4,-2.3 4,-0.5 -5,-0.2 3,-0.5 0.974 113.4 50.3 -57.5 -59.6 67.4 10.5 18.9 423 425 A E H >< S+ 0 0 69 -4,-1.4 3,-1.5 1,-0.3 4,-0.2 0.888 112.8 45.2 -46.6 -53.1 67.2 8.7 15.5 424 426 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -1,-0.3 0.838 103.1 66.4 -64.8 -31.0 71.0 8.7 15.0 425 427 A A H 3< S+ 0 0 58 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.618 96.1 57.3 -67.3 -11.4 71.5 7.6 18.6 426 428 A T T << S+ 0 0 116 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.3 0.479 83.3 103.7 -96.8 -5.4 69.9 4.3 17.7 427 429 A L S X S- 0 0 35 -3,-1.7 3,-1.8 -4,-0.2 2,-0.3 -0.638 82.5-110.7 -82.6 132.0 72.4 3.4 14.9 428 430 A K T 3 S+ 0 0 160 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.411 105.2 23.9 -60.9 118.3 75.0 0.8 15.8 429 431 A G T 3 S+ 0 0 39 1,-0.4 -1,-0.2 -2,-0.3 -4,-0.1 0.049 79.7 146.0 116.0 -29.1 78.3 2.7 16.0 430 432 A F < - 0 0 44 -3,-1.8 -1,-0.4 -6,-0.2 -5,-0.0 -0.100 36.9-155.4 -41.3 134.9 77.0 6.2 16.8 431 433 A N - 0 0 78 2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.477 32.3-116.2-101.5 -2.1 79.6 7.8 19.1 432 434 A G S S+ 0 0 50 1,-0.3 2,-0.1 -8,-0.1 -2,-0.1 0.255 72.0 123.5 92.9 -16.4 77.3 10.4 20.8 433 435 A T S > S- 0 0 56 1,-0.1 4,-1.6 4,-0.0 -1,-0.3 -0.360 72.9-118.8 -78.3 158.9 78.9 13.6 19.5 434 436 A D H > S+ 0 0 48 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.917 113.7 67.7 -62.6 -39.1 76.9 16.3 17.6 435 437 A E H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 102.4 44.2 -44.5 -50.3 79.4 15.6 14.8 436 438 A D H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 110.2 54.1 -67.3 -39.8 77.9 12.1 14.3 437 439 A V H X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.901 109.0 50.3 -60.0 -38.4 74.3 13.4 14.6 438 440 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.933 105.5 55.8 -64.6 -43.3 75.1 15.8 11.8 439 441 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 8,-0.3 0.910 111.4 44.2 -54.7 -41.9 76.5 13.0 9.7 440 442 A Y H < S+ 0 0 32 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.866 113.4 50.1 -70.8 -38.8 73.2 11.2 10.1 441 443 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.874 116.9 41.3 -67.5 -38.0 71.2 14.4 9.4 442 444 A L H < S+ 0 0 0 -4,-3.1 -344,-0.4 1,-0.2 -2,-0.2 0.858 132.7 20.7 -80.5 -36.5 73.2 15.1 6.2 443 445 A F >X + 0 0 20 -4,-2.4 4,-3.2 -5,-0.3 3,-0.6 -0.530 64.2 166.5-135.6 72.3 73.4 11.5 5.0 444 446 A P T 34 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.818 80.8 51.6 -51.2 -36.5 70.6 9.4 6.5 445 447 A Q T 3> S+ 0 0 170 1,-0.1 4,-0.5 2,-0.1 -5,-0.1 0.844 119.9 31.4 -73.3 -37.7 71.2 6.6 4.0 446 448 A V H <> S+ 0 0 14 -3,-0.6 4,-2.7 -7,-0.2 5,-0.3 0.829 97.7 80.7 -93.4 -36.8 74.9 6.3 4.5 447 449 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 -8,-0.3 5,-0.2 0.850 95.4 50.6 -39.5 -46.1 75.3 7.2 8.2 448 450 A P H > S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.986 112.6 41.6 -58.6 -61.5 74.2 3.7 9.2 449 451 A V H X S+ 0 0 90 -4,-0.5 4,-0.9 1,-0.2 -2,-0.2 0.838 119.8 46.9 -55.6 -35.6 76.6 1.7 6.9 450 452 A F H >X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 3,-0.8 0.937 107.4 53.5 -74.9 -47.2 79.4 4.1 7.9 451 453 A F H 3< S+ 0 0 7 -4,-3.0 4,-0.3 -5,-0.3 -1,-0.2 0.791 110.7 50.9 -57.2 -26.2 78.8 4.1 11.6 452 454 A E H 3< S+ 0 0 111 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.770 119.6 31.8 -85.8 -24.2 79.0 0.4 11.5 453 455 A H H X< S+ 0 0 66 -4,-0.9 3,-3.7 -3,-0.8 4,-0.5 0.677 87.7 97.8-107.1 -20.1 82.3 0.1 9.6 454 456 A R G >< S+ 0 0 46 -4,-2.9 3,-2.7 1,-0.3 -3,-0.1 0.806 76.3 64.5 -37.7 -46.8 84.2 3.3 10.8 455 457 A A G 3 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.779 89.6 68.4 -53.9 -25.0 86.2 1.2 13.4 456 458 A E G < S- 0 0 115 -3,-3.7 -1,-0.3 1,-0.1 -2,-0.2 0.767 109.4-126.9 -66.4 -22.1 87.8 -0.6 10.4 457 459 A G < - 0 0 22 -3,-2.7 -1,-0.1 -4,-0.5 -2,-0.1 -0.070 35.5 -46.6 95.9 161.1 89.5 2.7 9.6 458 460 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -391,-0.2 -0.220 57.3-165.7 -65.2 156.8 89.7 4.7 6.4 459 461 A H - 0 0 82 -393,-2.6 2,-0.4 2,-0.0 -426,-0.2 -0.741 15.5-123.4-131.8-179.9 90.5 3.0 3.1 460 462 A S - 0 0 46 -2,-0.2 -429,-0.1 2,-0.1 -394,-0.0 -0.985 7.2-165.8-130.4 138.3 91.5 3.9 -0.5 461 463 A V + 0 0 62 -431,-0.4 2,-0.1 -2,-0.4 3,-0.1 0.103 64.7 105.2-106.5 17.2 89.7 3.0 -3.7 462 464 A A S S- 0 0 9 1,-0.1 -175,-0.2 -432,-0.1 -2,-0.1 -0.449 84.0 -85.4 -91.1 167.3 92.8 4.0 -5.6 463 465 A L - 0 0 23 -177,-3.0 2,-0.2 -2,-0.1 -1,-0.1 -0.394 42.9-122.9 -72.9 151.3 95.2 1.6 -7.3 464 466 A T > - 0 0 66 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.551 25.6-108.5 -89.6 161.0 98.0 0.1 -5.1 465 467 A D H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.860 125.7 50.2 -56.2 -31.0 101.7 0.6 -6.0 466 468 A A H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.947 109.5 46.4 -70.4 -53.8 101.4 -3.2 -6.8 467 469 A Q H > S+ 0 0 96 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.873 111.3 56.9 -57.7 -35.8 98.3 -2.9 -8.9 468 470 A L H >X S+ 0 0 39 -4,-3.0 4,-1.5 2,-0.2 3,-1.2 0.980 111.2 38.3 -60.7 -59.2 100.0 -0.0 -10.7 469 471 A K H 3< S+ 0 0 181 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.880 112.8 58.0 -60.2 -40.5 103.1 -1.9 -11.8 470 472 A A H 3< S+ 0 0 89 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.668 105.6 52.2 -65.9 -15.9 101.1 -5.1 -12.5 471 473 A E H << 0 0 87 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.860 360.0 360.0 -88.4 -40.7 99.0 -3.0 -15.0 472 474 A A < 0 0 130 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.578 360.0 360.0-122.9 360.0 101.9 -1.5 -17.0