==== 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 LYASE 14-MAR-01 1I8J . COMPND 2 MOLECULE: PORPHOBILINOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.KERVINEN,E.K.JAFFE,F.STAUFFER,R.NEIER,A.WLODAWER,A.ZDANOV . 646 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 50 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 4 2 2 0 1 2 4 3 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 8 4 4 0 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 1 A T 0 0 79 0, 0.0 2,-0.6 0, 0.0 463,-0.1 0.000 360.0 360.0 360.0 172.6 5.9 79.1 2.0 2 2 A D + 0 0 155 491,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.958 360.0 146.4-112.7 112.1 3.0 77.2 3.5 3 3 A L - 0 0 29 -2,-0.6 3,-0.1 1,-0.1 489,-0.0 -0.958 24.5-175.5-144.6 125.5 2.7 77.7 7.3 4 4 A I S S+ 0 0 79 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.859 75.7 65.0 -89.9 -44.5 -0.6 77.7 9.0 5 5 A Q + 0 0 106 553,-0.0 -1,-0.1 1,-0.0 488,-0.0 -0.673 61.0 169.9 -83.9 116.9 0.8 78.6 12.4 6 6 A R > - 0 0 50 -2,-0.6 3,-2.1 1,-0.1 4,-0.3 -0.764 17.0-175.9-133.5 90.0 2.5 82.0 12.4 7 7 A P G > S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.852 82.5 69.5 -46.9 -41.3 3.5 83.3 15.9 8 8 A R G > S+ 0 0 34 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.711 77.6 81.0 -54.6 -25.4 4.5 86.6 14.3 9 9 A R G X S+ 0 0 141 -3,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.844 94.5 44.4 -52.6 -36.2 0.9 87.5 13.5 10 10 A L G < S+ 0 0 73 -3,-1.5 -1,-0.3 -4,-0.3 10,-0.3 0.450 107.1 62.2 -91.2 4.6 0.3 88.8 17.0 11 11 A R G < S+ 0 0 7 -3,-2.0 -1,-0.2 530,-0.2 -2,-0.2 0.290 71.3 103.7-105.9 6.0 3.7 90.7 17.1 12 12 A K S < S+ 0 0 73 -3,-0.7 -1,-0.1 -4,-0.3 -2,-0.1 0.854 85.1 15.2 -65.7 -36.0 2.9 93.1 14.2 13 13 A S S > S- 0 0 40 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.891 75.7-111.2-134.7 166.1 2.2 96.3 16.2 14 14 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.849 119.5 55.6 -62.6 -32.8 2.7 97.6 19.7 15 15 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 108.1 45.8 -65.5 -49.3 -1.1 97.4 20.1 16 16 A L H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 113.4 49.7 -60.1 -46.0 -1.2 93.7 19.2 17 17 A R H < S+ 0 0 38 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.852 110.2 51.5 -61.6 -34.6 1.7 92.9 21.5 18 18 A A H >< S+ 0 0 68 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.884 108.9 50.3 -69.3 -40.8 0.1 94.8 24.3 19 19 A M H 3< S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.1 40.8 -64.5 -39.0 -3.2 92.9 23.9 20 20 A F T 3< S+ 0 0 93 -4,-2.0 2,-0.3 -10,-0.3 -1,-0.2 0.281 79.0 127.4 -96.4 8.9 -1.3 89.5 23.9 21 21 A E < - 0 0 81 -3,-0.7 527,-0.1 -4,-0.4 -3,-0.0 -0.522 43.1-161.6 -67.4 123.0 1.2 90.2 26.7 22 22 A E + 0 0 47 -2,-0.3 2,-0.3 523,-0.1 -1,-0.1 0.792 67.0 43.8 -80.5 -29.6 0.9 87.4 29.2 23 23 A T - 0 0 15 2,-0.0 2,-0.3 0, 0.0 524,-0.1 -0.908 61.9-169.7-122.6 142.8 2.6 88.9 32.3 24 24 A T - 0 0 100 -2,-0.3 2,-0.4 277,-0.1 -2,-0.0 -0.920 9.6-149.5-131.8 156.9 2.3 92.4 33.9 25 25 A L - 0 0 33 -2,-0.3 2,-0.2 276,-0.0 273,-0.1 -0.994 15.8-176.5-129.3 127.3 4.2 94.2 36.6 26 26 A S > - 0 0 45 -2,-0.4 3,-1.0 296,-0.1 4,-0.3 -0.721 43.3-110.7-117.7 171.4 2.8 96.8 38.9 27 27 A L G > S+ 0 0 7 296,-3.3 3,-1.6 1,-0.2 46,-0.3 0.814 116.3 69.4 -67.8 -26.2 4.2 99.0 41.7 28 28 A N G 3 S+ 0 0 69 295,-0.4 -1,-0.2 1,-0.3 43,-0.0 0.697 87.2 62.6 -61.3 -27.1 2.2 96.7 44.0 29 29 A D G < S+ 0 0 17 -3,-1.0 279,-3.5 278,-0.1 2,-0.3 0.629 90.3 92.6 -76.9 -12.3 4.4 93.8 43.3 30 30 A L E < -a 308 0A 2 -3,-1.6 43,-0.5 -4,-0.3 44,-0.4 -0.639 51.2-170.7 -96.5 140.3 7.4 95.6 44.8 31 31 A V E -a 309 0A 1 277,-2.6 279,-2.8 -2,-0.3 44,-0.2 -0.979 22.7-136.3-120.0 131.9 8.7 95.6 48.4 32 32 A L E -e 75 0B 11 42,-2.5 44,-1.9 -2,-0.4 2,-0.3 -0.842 6.1-145.6 -99.4 113.6 11.4 98.1 49.3 33 33 A P E -e 76 0B 8 0, 0.0 2,-0.4 0, 0.0 44,-0.2 -0.621 22.0-163.6 -73.3 128.0 14.5 97.0 51.3 34 34 A I E -e 77 0B 5 42,-2.8 44,-2.6 -2,-0.3 2,-0.5 -0.957 12.1-148.1-119.8 137.5 15.5 99.9 53.6 35 35 A F E -e 78 0B 3 18,-0.4 20,-3.0 -2,-0.4 2,-0.5 -0.928 17.6-173.7-104.7 120.4 18.9 100.3 55.4 36 36 A V E -ef 79 55B 0 42,-2.8 44,-2.4 -2,-0.5 2,-0.5 -0.975 6.7-162.1-120.0 122.2 18.7 102.2 58.7 37 37 A E E > -ef 80 56B 3 18,-2.8 20,-2.5 -2,-0.5 3,-0.5 -0.913 10.9-145.8-108.0 123.9 21.8 103.2 60.7 38 38 A E T 3 S+ 0 0 2 42,-1.3 3,-0.1 -2,-0.5 -1,-0.0 -0.199 76.4 21.8 -74.7 173.6 21.4 104.1 64.4 39 39 A E T 3 S+ 0 0 140 1,-0.1 2,-0.3 17,-0.1 -1,-0.2 0.734 99.9 108.7 38.5 36.7 23.6 106.7 66.2 40 40 A I < - 0 0 26 -3,-0.5 18,-0.5 1,-0.1 -1,-0.1 -0.931 51.3-157.9-133.4 168.4 24.6 108.6 62.9 41 41 A D + 0 0 92 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.758 68.0 55.4-114.5 -38.4 23.8 112.0 61.2 42 42 A D S S- 0 0 131 13,-0.1 -1,-0.2 1,-0.0 12,-0.1 -0.862 83.7-109.2-105.5 140.5 24.5 112.0 57.5 43 43 A Y - 0 0 51 -2,-0.4 2,-0.5 13,-0.1 12,-0.2 -0.363 37.7-142.7 -56.7 136.2 23.0 109.5 55.0 44 44 A K E -J 54 0C 86 10,-1.2 10,-2.6 -2,-0.0 2,-0.1 -0.913 5.6-132.0-109.7 128.1 25.9 107.3 53.8 45 45 A A E -J 53 0C 75 -2,-0.5 2,-0.7 8,-0.3 8,-0.3 -0.489 14.6-133.9 -73.2 146.6 26.1 106.1 50.2 46 46 A V > - 0 0 7 6,-2.5 3,-0.7 3,-0.5 6,-0.4 -0.937 14.5-158.9-101.5 113.2 26.8 102.4 49.7 47 47 A E T 3 S+ 0 0 160 -2,-0.7 -1,-0.2 1,-0.3 563,-0.1 0.865 90.8 52.5 -58.8 -46.3 29.6 102.3 47.1 48 48 A A T 3 S+ 0 0 4 1,-0.3 -1,-0.3 154,-0.2 155,-0.1 0.641 112.4 51.7 -65.2 -16.8 28.8 98.7 45.9 49 49 A M S X S- 0 0 0 -3,-0.7 3,-3.0 3,-0.2 -3,-0.5 -0.628 85.5-147.9-127.6 76.8 25.2 99.8 45.4 50 50 A P T 3 S+ 0 0 27 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.151 86.0 15.7 -44.6 109.0 25.1 103.0 43.3 51 51 A G T 3 S+ 0 0 68 1,-0.4 2,-0.3 -5,-0.2 -4,-0.1 0.126 100.4 108.3 110.2 -19.8 22.1 105.0 44.5 52 52 A V < + 0 0 19 -3,-3.0 -6,-2.5 -6,-0.4 -1,-0.4 -0.663 42.5 178.3 -94.2 148.4 21.5 103.3 47.8 53 53 A M E -J 45 0C 83 -2,-0.3 -18,-0.4 -8,-0.3 2,-0.3 -0.990 34.8-108.2-145.7 148.6 22.3 105.0 51.1 54 54 A R E -J 44 0C 36 -10,-2.6 -10,-1.2 -2,-0.3 -18,-0.2 -0.619 36.7-134.1 -75.5 137.3 22.0 104.1 54.7 55 55 A I E -f 36 0B 11 -20,-3.0 -18,-2.8 -2,-0.3 2,-0.2 -0.805 19.3-120.9 -92.9 128.5 19.1 106.2 56.2 56 56 A P E >> -f 37 0B 0 0, 0.0 3,-2.5 0, 0.0 4,-1.1 -0.545 19.3-124.0 -71.9 140.4 20.1 107.8 59.5 57 57 A E H 3> S+ 0 0 38 -20,-2.5 4,-0.5 1,-0.3 3,-0.4 0.828 112.6 60.3 -49.3 -34.8 17.7 106.7 62.2 58 58 A K H 34 S+ 0 0 135 -18,-0.5 -1,-0.3 -21,-0.3 4,-0.1 0.705 110.1 42.6 -69.3 -18.3 17.0 110.4 62.9 59 59 A H H X> S+ 0 0 44 -3,-2.5 4,-2.2 1,-0.1 3,-1.1 0.548 85.4 95.4-104.0 -10.7 15.7 110.6 59.3 60 60 A L H 3X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.4 5,-0.3 0.879 81.3 56.4 -47.3 -48.1 13.7 107.3 59.1 61 61 A A H 3X S+ 0 0 41 -4,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.874 112.7 44.6 -54.4 -33.5 10.4 109.0 60.0 62 62 A R H <> S+ 0 0 137 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.877 114.0 46.5 -75.5 -46.2 11.1 111.3 57.0 63 63 A E H X S+ 0 0 16 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.915 109.4 53.8 -67.0 -43.1 12.2 108.6 54.5 64 64 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.824 110.3 48.3 -64.6 -25.8 9.3 106.2 55.3 65 65 A E H X S+ 0 0 104 -4,-0.7 4,-2.2 -5,-0.3 -1,-0.2 0.882 111.7 49.9 -78.1 -37.9 6.9 109.1 54.6 66 66 A R H X S+ 0 0 96 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.966 113.5 45.0 -60.5 -53.2 8.8 109.8 51.4 67 67 A I H ><>S+ 0 0 2 -4,-3.2 5,-1.6 1,-0.2 3,-0.7 0.938 114.8 48.2 -54.2 -54.4 8.6 106.0 50.4 68 68 A A H ><5S+ 0 0 25 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.846 108.9 53.6 -59.5 -35.1 4.9 105.8 51.3 69 69 A N H 3<5S+ 0 0 130 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.780 101.4 59.7 -71.8 -26.3 4.1 109.0 49.4 70 70 A A T <<5S- 0 0 25 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.576 124.4-104.0 -75.4 -10.5 5.7 107.5 46.3 71 71 A G T < 5 + 0 0 38 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.468 69.0 150.3 101.0 1.9 3.2 104.7 46.5 72 72 A I < - 0 0 5 -5,-1.6 -1,-0.3 1,-0.1 -44,-0.1 -0.527 28.0-165.4 -68.3 128.3 5.4 101.9 47.9 73 73 A R + 0 0 152 -43,-0.5 40,-2.3 -46,-0.3 2,-0.3 0.681 63.3 23.8 -89.4 -19.7 3.2 99.6 50.0 74 74 A S E - g 0 113B 7 -44,-0.4 -42,-2.5 38,-0.2 2,-0.3 -0.991 56.0-167.0-149.7 154.5 5.8 97.7 51.9 75 75 A V E -eg 32 114B 0 38,-2.4 40,-2.5 -2,-0.3 2,-0.5 -0.911 16.8-140.5-136.4 160.9 9.4 97.8 53.1 76 76 A M E -eg 33 115B 0 -44,-1.9 -42,-2.8 -2,-0.3 2,-0.4 -0.988 28.0-137.3-123.3 116.0 11.9 95.3 54.6 77 77 A T E +eg 34 116B 1 38,-2.4 40,-1.3 -2,-0.5 2,-0.4 -0.636 24.5 175.5 -87.3 126.6 14.0 96.8 57.4 78 78 A F E -e 35 0B 3 -44,-2.6 -42,-2.8 -2,-0.4 2,-0.3 -0.993 15.3-154.1-125.0 124.8 17.8 96.2 57.7 79 79 A G E -e 36 0B 0 -2,-0.4 2,-0.7 -44,-0.2 -42,-0.2 -0.705 13.3-141.4-102.9 151.8 19.7 97.9 60.5 80 80 A I E -e 37 0B 8 -44,-2.4 -42,-1.3 -2,-0.3 2,-0.2 -0.961 35.2-140.0-107.6 115.0 23.4 98.9 60.7 81 81 A S + 0 0 18 41,-0.8 3,-0.2 -2,-0.7 -44,-0.0 -0.518 35.0 177.5 -86.8 143.2 24.4 98.2 64.3 82 82 A H S S+ 0 0 74 -2,-0.2 -1,-0.1 1,-0.1 41,-0.1 0.040 85.8 59.3-120.4 15.2 26.6 100.2 66.8 83 83 A H S S+ 0 0 83 2,-0.1 7,-0.3 41,-0.0 -1,-0.1 -0.331 71.6 157.2-142.4 53.6 26.0 97.7 69.6 84 84 A T + 0 0 70 -3,-0.2 2,-0.3 40,-0.1 40,-0.2 -0.407 9.0 161.1 -74.8 154.3 27.2 94.4 68.2 85 85 A D B -k 124 0D 54 38,-1.6 40,-1.8 -2,-0.1 3,-0.3 -0.927 54.0 -73.9-161.4-178.2 28.2 91.6 70.5 86 86 A E S S+ 0 0 110 -2,-0.3 46,-0.5 38,-0.2 40,-0.2 0.777 127.4 28.6 -63.1 -28.2 28.8 87.8 70.5 87 87 A T S S- 0 0 53 36,-0.1 -1,-0.2 44,-0.1 37,-0.2 0.501 100.7-120.1-108.5 -6.6 25.1 86.8 70.4 88 88 A G > + 0 0 0 35,-0.4 3,-1.8 -3,-0.3 4,-0.2 0.835 52.5 161.6 69.6 33.9 23.5 89.8 68.5 89 89 A S G > + 0 0 37 1,-0.3 3,-0.9 2,-0.2 7,-0.1 0.567 57.2 76.0 -64.9 -12.4 21.3 90.4 71.6 90 90 A D G > S+ 0 0 7 -7,-0.3 3,-0.9 33,-0.3 -1,-0.3 0.728 85.0 69.0 -70.9 -19.6 20.5 94.0 70.6 91 91 A A G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 105.1 38.1 -67.9 -29.5 18.2 92.4 68.1 92 92 A W G < S+ 0 0 53 -3,-0.9 2,-0.6 -4,-0.2 -1,-0.2 0.224 84.5 119.1-107.9 19.3 15.9 91.2 70.9 93 93 A R S X S- 0 0 118 -3,-0.9 3,-2.6 1,-0.2 6,-0.4 -0.714 71.1-131.6 -79.6 122.2 16.1 94.2 73.1 94 94 A E T 3 S+ 0 0 140 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.729 108.4 33.1 -52.0 -17.1 12.6 95.5 73.3 95 95 A D T 3 S+ 0 0 69 4,-0.1 -1,-0.3 -5,-0.0 -4,-0.1 0.278 93.9 115.5-121.8 13.2 14.2 98.9 72.5 96 96 A G S <> S- 0 0 0 -3,-2.6 4,-2.5 -6,-0.2 3,-0.4 -0.139 85.1 -80.7 -76.3 178.7 17.1 98.0 70.2 97 97 A L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.819 127.2 54.1 -47.5 -47.4 17.4 99.0 66.5 98 98 A V H > S+ 0 0 1 -8,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.932 114.2 41.2 -56.1 -51.0 15.2 96.2 65.2 99 99 A A H > S+ 0 0 1 -6,-0.4 4,-3.0 -3,-0.4 -2,-0.2 0.927 116.5 51.1 -60.8 -48.6 12.2 97.2 67.5 100 100 A R H X S+ 0 0 39 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.851 104.8 54.1 -57.6 -45.9 12.9 100.9 66.8 101 101 A M H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.908 115.3 41.1 -57.9 -45.0 13.0 100.6 63.0 102 102 A S H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.2 5,-0.4 0.968 112.9 54.2 -63.8 -56.2 9.5 99.0 63.0 103 103 A R H X S+ 0 0 68 -4,-3.0 4,-2.1 1,-0.3 5,-0.2 0.901 111.1 45.9 -43.7 -56.2 8.2 101.4 65.8 104 104 A I H X S+ 0 0 29 -4,-2.8 4,-2.3 2,-0.2 -1,-0.3 0.891 113.3 48.6 -59.4 -42.8 9.2 104.4 63.7 105 105 A C H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 7,-0.2 0.952 115.6 41.7 -65.6 -50.4 7.7 103.0 60.4 106 106 A K H < S+ 0 0 40 -4,-2.8 -1,-0.2 50,-0.2 -2,-0.2 0.781 115.6 51.0 -66.5 -31.8 4.3 102.0 61.8 107 107 A Q H < S+ 0 0 137 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.896 116.3 41.3 -71.7 -42.3 4.1 105.2 63.9 108 108 A T H < S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.893 133.7 16.5 -72.3 -45.6 4.8 107.3 60.9 109 109 A V >< - 0 0 25 -4,-2.9 3,-2.3 -5,-0.2 -1,-0.3 -0.815 67.8-171.7-134.6 88.4 2.7 105.5 58.2 110 110 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.744 87.6 50.9 -49.6 -34.2 0.2 103.2 60.0 111 111 A E T 3 S+ 0 0 165 2,-0.1 2,-0.2 0, 0.0 -5,-0.1 0.450 82.5 114.2 -88.9 -2.7 -0.8 101.7 56.7 112 112 A M S < S- 0 0 4 -3,-2.3 2,-1.0 -7,-0.2 -38,-0.2 -0.498 71.2-126.7 -69.3 132.0 2.8 100.9 55.7 113 113 A I E -g 74 0B 60 -40,-2.3 -38,-2.4 -2,-0.2 2,-0.7 -0.760 28.8-160.7 -85.5 105.6 3.4 97.1 55.5 114 114 A V E -g 75 0B 0 -2,-1.0 45,-3.0 43,-0.3 46,-1.9 -0.808 12.4-175.2 -96.3 109.6 6.5 96.7 57.7 115 115 A M E -gh 76 160B 4 -40,-2.5 -38,-2.4 -2,-0.7 2,-0.7 -0.928 15.1-151.7-104.5 119.4 8.5 93.5 57.1 116 116 A S E -gh 77 161B 0 44,-2.4 46,-2.1 -2,-0.6 -38,-0.1 -0.850 15.7-126.7 -96.4 113.6 11.3 93.3 59.7 117 117 A D E - h 0 162B 10 -40,-1.3 2,-0.6 -2,-0.7 -38,-0.1 -0.388 26.2-150.8 -57.6 132.6 14.3 91.3 58.6 118 118 A T E + h 0 163B 0 44,-2.5 46,-1.5 -40,-0.0 47,-0.6 -0.818 46.8 86.7-116.5 92.6 14.9 88.7 61.3 119 119 A C - 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0 0 78 234,-0.4 4,-2.5 -2,-0.3 5,-0.3 -0.878 33.0-151.9 -95.8 111.4 19.7 100.8 29.2 289 289 A E H > S+ 0 0 60 -2,-0.7 4,-2.9 1,-0.2 5,-0.2 0.913 90.2 46.4 -51.3 -53.1 19.1 100.7 32.9 290 290 A E H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.894 113.7 46.9 -59.0 -47.8 15.4 101.2 32.8 291 291 A K H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 115.9 46.0 -61.4 -45.2 14.8 98.7 30.0 292 292 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.871 112.9 49.5 -65.3 -40.6 17.0 96.1 31.8 293 293 A V H X S+ 0 0 2 -4,-2.9 4,-3.1 -5,-0.3 5,-0.3 0.964 114.0 45.1 -62.8 -52.0 15.4 96.7 35.3 294 294 A L H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.872 114.1 49.3 -60.7 -38.2 11.8 96.4 33.9 295 295 A E H X S+ 0 0 18 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.941 113.9 46.3 -68.3 -41.4 12.8 93.3 31.9 296 296 A S H X S+ 0 0 19 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.937 114.9 43.9 -65.6 -51.8 14.4 91.7 35.0 297 297 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.916 113.5 54.4 -61.0 -39.4 11.6 92.5 37.4 298 298 A G H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.841 106.3 51.3 -61.1 -33.6 9.1 91.3 34.7 299 299 A S H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.917 106.1 54.2 -70.0 -40.8 10.9 88.0 34.4 300 300 A I H <>S+ 0 0 2 -4,-2.0 5,-2.0 1,-0.2 4,-0.4 0.909 112.3 44.3 -59.3 -43.8 10.7 87.4 38.1 301 301 A K H ><5S+ 0 0 52 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.890 111.0 54.3 -65.8 -40.8 6.9 88.0 37.9 302 302 A R H 3<5S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.861 102.1 59.1 -61.0 -38.7 6.7 85.8 34.8 303 303 A A T 3<5S- 0 0 0 -4,-2.6 -1,-0.3 -5,-0.1 -44,-0.2 0.602 131.5 -90.0 -66.7 -15.0 8.4 82.9 36.7 304 304 A G T < 5S+ 0 0 11 -3,-1.2 -38,-0.3 -4,-0.4 -3,-0.2 0.442 73.2 150.0 121.1 3.5 5.7 83.0 39.3 305 305 A A < - 0 0 2 -5,-2.0 -1,-0.3 1,-0.1 -38,-0.2 -0.453 27.6-167.9 -73.7 135.0 6.7 85.5 42.0 306 306 A D S S+ 0 0 69 -40,-3.1 2,-0.3 1,-0.3 -39,-0.2 0.797 78.2 22.4 -86.6 -33.6 3.8 87.3 43.8 307 307 A L E - d 0 267A 42 -41,-1.3 -39,-1.9 2,-0.0 2,-0.5 -0.989 68.4-155.8-135.4 142.2 6.1 89.9 45.5 308 308 A I E -ad 30 268A 0 -279,-3.5 -277,-2.6 -2,-0.3 2,-0.7 -0.983 11.5-143.6-123.7 126.8 9.5 91.1 44.5 309 309 A F E +ad 31 269A 0 -41,-2.7 -39,-2.6 -2,-0.5 2,-0.4 -0.808 37.5 170.3 -83.8 115.8 12.0 92.6 47.0 310 310 A S > - 0 0 0 -279,-2.8 3,-1.3 -2,-0.7 4,-0.2 -0.966 42.7-157.4-142.0 129.3 13.7 95.3 44.9 311 311 A Y T 3 S+ 0 0 19 -41,-0.5 3,-0.3 -2,-0.4 4,-0.3 0.642 98.1 63.0 -73.5 -14.6 16.2 98.2 45.6 312 312 A F T 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.526 77.8 99.6 -84.6 -5.8 15.0 99.9 42.4 313 313 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.832 76.9 46.1 -51.6 -49.6 11.5 100.2 43.8 314 314 A L H > S+ 0 0 20 -3,-0.3 4,-3.2 2,-0.2 5,-0.3 0.900 114.6 48.2 -67.3 -39.0 11.4 103.9 45.1 315 315 A D H > S+ 0 0 73 -4,-0.3 4,-3.1 2,-0.2 6,-0.3 0.937 111.9 49.3 -61.0 -49.7 13.0 105.2 41.9 316 316 A L H <>S+ 0 0 7 -4,-2.4 6,-1.5 2,-0.2 5,-1.4 0.910 115.0 47.7 -54.5 -42.7 10.5 103.3 39.8 317 317 A A H ><5S+ 0 0 10 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.969 115.8 39.5 -60.8 -61.6 7.8 104.7 42.0 318 318 A E H 3<5S+ 0 0 90 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.865 112.6 55.4 -61.7 -39.8 8.8 108.4 42.0 319 319 A K T 3<5S- 0 0 132 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.308 107.7-127.5 -78.9 12.8 9.8 108.4 38.3 320 320 A K T < 5S+ 0 0 81 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.670 72.1 130.4 50.1 21.3 6.2 107.1 37.6 321 321 A I S - 0 0 52 -2,-0.7 3,-2.2 1,-0.1 4,-0.3 -0.853 18.7-171.7-130.6 89.4 17.3 69.1 59.7 331 7 B P G > S+ 0 0 9 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.778 83.6 69.4 -50.3 -30.0 18.4 70.1 56.1 332 8 B R G > S+ 0 0 32 1,-0.2 3,-2.0 2,-0.2 4,-0.5 0.662 75.7 84.8 -66.7 -17.4 21.7 71.5 57.6 333 9 B R G X S+ 0 0 136 -3,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.897 94.0 42.3 -53.4 -45.2 22.8 68.0 58.4 334 10 B L G < S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.3 10,-0.2 0.314 108.1 62.4 -87.1 12.2 24.2 67.6 54.9 335 11 B R G < + 0 0 8 -3,-2.0 -1,-0.2 -118,-0.2 -2,-0.2 0.372 69.8 103.9-111.3 -1.0 25.7 71.2 54.9 336 12 B K S < S+ 0 0 72 -3,-0.8 -2,-0.1 -4,-0.5 -1,-0.1 0.806 86.2 15.8 -55.9 -34.8 28.2 70.6 57.8 337 13 B S S > S- 0 0 37 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.913 73.1-111.0-142.9 164.7 31.3 70.3 55.6 338 14 B P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.888 119.2 51.2 -59.7 -39.5 32.8 70.9 52.2 339 15 B A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.934 111.2 46.7 -64.2 -46.7 33.0 67.1 51.7 340 16 B L H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 112.0 51.0 -62.2 -38.8 29.3 66.6 52.6 341 17 B R H < S+ 0 0 38 -4,-2.3 4,-0.2 1,-0.2 -1,-0.2 0.855 111.1 47.8 -68.3 -35.0 28.2 69.5 50.4 342 18 B A H >< S+ 0 0 69 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.866 108.9 54.4 -71.7 -40.3 30.1 68.1 47.4 343 19 B M H 3< S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 116.0 38.2 -64.3 -32.7 28.7 64.7 47.9 344 20 B F T 3< S+ 0 0 98 -4,-1.4 2,-0.4 -10,-0.2 -1,-0.2 0.323 80.9 128.3-103.9 11.3 25.2 66.0 47.9 345 21 B E < - 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