==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-12 4FWS . COMPND 2 MOLECULE: PROPIONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.CHITTORI,H.S.SAVITHRI,M.R.N.MURTHY . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 2 2 0 0 2 2 1 1 0 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 3 0 1 1 1 1 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 . 0 0 0 0 1 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 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 F 0 0 116 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.7 56.9 -26.7 9.5 2 5 A P - 0 0 61 0, 0.0 19,-2.0 0, 0.0 20,-0.4 -0.193 360.0-159.3 -67.6 153.5 54.9 -25.0 6.6 3 6 A V E -Ab 20 77A 7 73,-2.8 75,-2.4 17,-0.2 76,-1.2 -0.882 10.3-135.5-127.4 161.3 51.2 -25.3 6.0 4 7 A V E -Ab 19 79A 1 15,-3.0 15,-3.0 -2,-0.3 2,-0.6 -0.975 12.2-145.0-119.3 132.3 48.9 -24.8 3.0 5 8 A L E -Ab 18 80A 8 74,-2.4 76,-2.7 -2,-0.4 2,-0.5 -0.871 12.9-161.7 -98.4 119.2 45.5 -23.0 3.2 6 9 A V E -Ab 17 81A 5 11,-3.4 11,-1.8 -2,-0.6 2,-0.4 -0.895 8.9-170.0-105.1 122.1 42.8 -24.3 1.0 7 10 A I E -Ab 16 82A 14 74,-3.1 76,-2.0 -2,-0.5 2,-0.4 -0.897 13.5-178.1-115.7 139.4 39.8 -22.1 0.2 8 11 A N E -A 15 0A 46 7,-2.1 7,-2.7 -2,-0.4 2,-1.1 -0.873 7.3-166.9-135.8 102.5 36.5 -22.8 -1.5 9 12 A C E -A 14 0A 4 74,-0.4 5,-0.2 -2,-0.4 113,-0.1 -0.748 19.8-179.6 -92.1 94.3 34.1 -19.9 -1.9 10 13 A G - 0 0 10 -2,-1.1 75,-0.0 3,-1.0 -2,-0.0 0.106 46.5 -80.5 -76.3-165.6 30.8 -21.5 -2.8 11 14 A S S S+ 0 0 78 1,-0.2 -1,-0.0 107,-0.0 3,-0.0 0.822 125.6 8.5 -69.7 -33.0 27.5 -19.8 -3.6 12 15 A S S S+ 0 0 58 22,-0.0 23,-2.8 24,-0.0 22,-0.9 0.346 126.9 38.5-130.3 2.3 26.5 -19.4 0.1 13 16 A S - 0 0 12 20,-0.2 -3,-1.0 21,-0.2 2,-0.4 -0.873 61.0-128.4-147.0 171.6 29.7 -20.3 2.0 14 17 A I E -A 9 0A 2 -2,-0.3 18,-1.5 -5,-0.2 2,-0.5 -0.860 26.7-166.0-129.2 97.9 33.5 -20.3 2.4 15 18 A K E +AC 8 31A 114 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.3 -0.730 15.4 179.8 -83.6 126.0 34.8 -23.8 3.1 16 19 A F E -AC 7 30A 7 14,-2.0 14,-2.0 -2,-0.5 2,-0.3 -0.884 15.5-177.0-128.7 159.8 38.4 -23.8 4.3 17 20 A S E -AC 6 29A 10 -11,-1.8 -11,-3.4 -2,-0.3 2,-0.6 -0.968 16.8-146.6-154.3 138.4 41.1 -26.3 5.3 18 21 A V E -AC 5 28A 0 10,-3.3 9,-3.0 -2,-0.3 10,-1.2 -0.942 23.4-169.2-109.1 120.0 44.6 -26.0 6.7 19 22 A L E -AC 4 26A 0 -15,-3.0 -15,-3.0 -2,-0.6 2,-0.3 -0.909 21.1-123.4-117.4 136.9 46.9 -28.9 5.5 20 23 A D E > -A 3 0A 27 5,-2.2 4,-2.3 -2,-0.4 5,-0.2 -0.566 12.5-145.0 -75.5 133.8 50.4 -29.8 6.7 21 24 A V T 4 S+ 0 0 42 -19,-2.0 -1,-0.1 -2,-0.3 -18,-0.1 0.853 95.4 57.2 -66.9 -36.0 53.1 -29.9 4.0 22 25 A A T 4 S+ 0 0 87 -20,-0.4 -1,-0.2 1,-0.2 -19,-0.1 0.869 130.2 6.2 -64.7 -40.8 54.9 -32.8 5.6 23 26 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.453 89.5-124.3-125.0 -7.2 52.0 -35.3 5.6 24 27 A C < + 0 0 17 -4,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.734 60.6 150.6 60.9 27.1 49.2 -33.5 3.8 25 28 A D - 0 0 95 -5,-0.2 -5,-2.2 1,-0.1 2,-0.6 -0.527 53.5-107.0 -88.1 153.8 47.0 -34.0 6.8 26 29 A V E +C 19 0A 79 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.724 37.7 169.1 -83.0 118.2 44.1 -31.7 7.9 27 30 A L E S+ 0 0 103 -9,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.672 72.7 10.1 -97.3 -25.2 45.1 -29.6 11.0 28 31 A M E +C 18 0A 2 -10,-1.2 -10,-3.3 2,-0.0 -1,-0.4 -0.978 64.4 172.1-155.2 142.2 42.1 -27.3 10.8 29 32 A A E +C 17 0A 28 -2,-0.3 16,-2.6 -12,-0.3 2,-0.3 -0.987 13.0 135.9-149.5 153.0 38.9 -27.2 8.8 30 33 A G E -CD 16 44A 16 -14,-2.0 -14,-2.0 -2,-0.3 2,-0.3 -0.968 34.4-117.3-174.4-171.9 35.7 -25.1 8.8 31 34 A I E -CD 15 43A 40 12,-2.4 12,-2.2 -2,-0.3 2,-0.8 -0.986 6.5-150.1-152.4 134.4 32.9 -23.2 7.0 32 35 A A - 0 0 4 -18,-1.5 10,-0.2 -2,-0.3 3,-0.2 -0.673 39.1-174.5-102.8 74.8 31.7 -19.6 6.9 33 36 A D + 0 0 63 -2,-0.8 8,-2.1 8,-0.4 -20,-0.2 -0.263 50.7 40.3 -77.1 154.9 28.1 -20.4 6.1 34 37 A G S > S- 0 0 8 -22,-0.9 3,-1.1 6,-0.2 5,-0.5 0.892 74.1-169.8 78.9 44.8 25.2 -17.9 5.4 35 38 A M T 3 + 0 0 11 -23,-2.8 -1,-0.2 1,-0.2 21,-0.1 -0.377 65.5 8.2 -71.7 143.3 27.1 -15.5 3.1 36 39 A N T 3 S+ 0 0 89 19,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.549 108.6 106.1 63.1 11.6 25.6 -12.2 2.1 37 40 A T S X S- 0 0 63 -3,-1.1 2,-1.3 18,-0.2 17,-1.3 -0.846 87.1-105.5-118.6 157.7 22.6 -12.8 4.5 38 41 A E T 3 S+ 0 0 78 -2,-0.3 15,-0.1 1,-0.3 -3,-0.1 0.013 113.5 56.3 -73.5 33.6 21.8 -11.3 7.9 39 42 A N T 3 + 0 0 98 -2,-1.3 -1,-0.3 -5,-0.5 2,-0.1 0.057 67.7 161.0-152.1 27.3 23.0 -14.4 9.8 40 43 A A < + 0 0 4 -3,-1.1 2,-0.3 -6,-0.1 -6,-0.2 -0.372 14.5 174.2 -63.7 126.0 26.6 -15.1 8.6 41 44 A F - 0 0 72 -8,-2.1 2,-0.6 -2,-0.1 -8,-0.4 -0.956 28.6-138.1-136.7 155.2 28.5 -17.4 11.0 42 45 A L B -G 50 0B 8 8,-2.7 8,-1.9 -2,-0.3 2,-0.5 -0.910 20.1-175.6-118.7 103.7 31.9 -19.1 11.2 43 46 A S E -D 31 0A 27 -12,-2.2 -12,-2.4 -2,-0.6 2,-0.4 -0.875 6.0-166.3-103.4 127.5 31.9 -22.7 12.5 44 47 A I E > -D 30 0A 3 -2,-0.5 3,-3.3 4,-0.3 -14,-0.3 -0.928 63.1 -22.1-117.7 133.9 35.2 -24.5 12.9 45 48 A N T 3 S- 0 0 90 -16,-2.6 -15,-0.1 -2,-0.4 -1,-0.1 0.527 115.3 -67.2 53.1 10.2 36.0 -28.2 13.4 46 49 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -17,-0.1 -16,-0.1 0.570 110.6 115.0 83.3 11.3 32.4 -28.7 14.7 47 50 A D S < S- 0 0 73 -3,-3.3 -1,-0.2 1,-0.2 -3,-0.1 -0.020 76.8 -28.5 -92.8-159.2 33.1 -26.7 17.8 48 51 A K - 0 0 83 -5,-0.1 2,-0.5 1,-0.1 -4,-0.3 -0.369 66.1-138.0 -59.6 119.5 31.7 -23.3 19.0 49 52 A P - 0 0 74 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.722 10.0-150.6 -88.4 122.6 30.6 -21.2 16.0 50 53 A I B -G 42 0B 48 -8,-1.9 -8,-2.7 -2,-0.5 0, 0.0 -0.307 11.1-154.3 -75.3 169.6 31.4 -17.4 16.0 51 54 A N + 0 0 112 -10,-0.3 -1,-0.1 -2,-0.1 -12,-0.1 0.676 28.4 170.3-111.9 -92.3 29.2 -15.0 14.1 52 55 A L > - 0 0 67 -11,-0.1 3,-0.7 2,-0.1 -13,-0.1 0.994 45.9-140.0 57.8 71.3 29.9 -11.6 12.5 53 56 A A T 3 + 0 0 40 1,-0.2 -15,-0.2 -15,-0.1 -12,-0.1 -0.139 68.7 9.1 -66.6 155.5 26.6 -11.5 10.7 54 57 A H T 3 S+ 0 0 129 -17,-1.3 2,-0.3 -20,-0.3 -1,-0.2 0.801 87.3 162.8 40.3 42.8 26.0 -10.2 7.2 55 58 A S < - 0 0 15 -3,-0.7 -19,-0.9 -18,-0.2 -1,-0.2 -0.644 35.8-118.0 -87.8 144.7 29.7 -10.0 6.6 56 59 A N > - 0 0 90 -2,-0.3 4,-2.4 -21,-0.1 5,-0.2 -0.200 31.9 -97.0 -74.2 169.4 31.2 -9.7 3.1 57 60 A Y H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.815 124.4 50.4 -56.6 -35.3 33.5 -12.3 1.4 58 61 A E H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.885 113.3 43.7 -71.2 -41.4 36.6 -10.2 2.3 59 62 A D H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.799 109.1 57.1 -75.3 -31.9 35.6 -9.9 6.0 60 63 A A H X S+ 0 0 8 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.842 110.9 43.3 -68.3 -35.9 34.6 -13.5 6.3 61 64 A L H X S+ 0 0 17 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.797 111.3 55.8 -75.3 -31.8 38.0 -14.6 5.2 62 65 A K H X S+ 0 0 35 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.773 103.4 55.3 -69.0 -29.0 39.5 -11.9 7.5 63 66 A A H X S+ 0 0 35 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.888 110.6 43.9 -68.1 -42.3 37.6 -13.5 10.4 64 67 A I H X S+ 0 0 10 -4,-1.1 4,-1.3 1,-0.2 3,-0.2 0.883 108.5 59.3 -67.3 -40.6 39.3 -16.9 9.6 65 68 A A H X S+ 0 0 15 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.828 104.2 50.2 -57.9 -36.4 42.6 -15.1 9.2 66 69 A F H X S+ 0 0 59 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.824 107.5 54.1 -70.2 -34.0 42.4 -13.8 12.8 67 70 A E H X S+ 0 0 60 -4,-1.1 4,-0.6 -3,-0.2 -2,-0.2 0.713 104.6 55.7 -71.9 -23.2 41.6 -17.3 14.0 68 71 A L H <>S+ 0 0 1 -4,-1.3 5,-2.2 2,-0.2 6,-0.6 0.856 109.0 45.2 -75.9 -38.1 44.8 -18.5 12.2 69 72 A E H ><5S+ 0 0 132 -4,-1.2 3,-1.2 3,-0.2 -2,-0.2 0.788 106.9 60.6 -73.5 -30.0 47.0 -16.0 14.2 70 73 A K H 3<5S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.6 42.3 -65.3 -27.4 45.1 -17.0 17.4 71 74 A R T 3<5S- 0 0 107 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.074 116.6-115.0-109.0 21.1 46.4 -20.5 16.8 72 75 A D T < 5S+ 0 0 148 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.864 86.2 107.2 48.8 52.7 50.0 -19.4 15.8 73 76 A L > < + 0 0 27 -5,-2.2 3,-0.6 2,-0.1 4,-0.4 0.312 45.0 91.1-137.5 5.7 49.9 -20.6 12.2 74 77 A T G > S+ 0 0 39 -6,-0.6 3,-1.0 1,-0.2 -5,-0.1 0.895 90.4 51.8 -64.3 -41.5 49.6 -17.4 10.2 75 78 A D G 3 S+ 0 0 167 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 0.552 107.6 55.2 -70.5 -8.4 53.5 -17.3 10.1 76 79 A S G < S+ 0 0 34 -3,-0.6 -73,-2.8 -74,-0.1 2,-0.9 0.498 73.2 112.9-105.1 -7.3 53.4 -20.9 8.8 77 80 A V E < +b 3 0A 11 -3,-1.0 -73,-0.2 -4,-0.4 3,-0.1 -0.570 31.6 163.2 -70.2 102.3 51.1 -20.4 5.8 78 81 A A E + 0 0 44 -75,-2.4 56,-0.8 -2,-0.9 2,-0.3 0.785 62.5 18.7 -89.9 -33.4 53.5 -21.0 2.9 79 82 A L E -be 4 134A 14 -76,-1.2 -74,-2.4 54,-0.1 2,-0.4 -0.956 59.9-152.4-141.0 153.1 50.9 -21.5 0.1 80 83 A I E -be 5 135A 0 54,-1.7 56,-3.2 -2,-0.3 2,-0.4 -0.980 10.8-158.1-132.8 122.6 47.2 -20.8 -0.5 81 84 A G E -be 6 136A 0 -76,-2.7 -74,-3.1 -2,-0.4 2,-0.5 -0.823 4.1-166.6-101.0 136.1 45.0 -22.9 -2.8 82 85 A H E -be 7 137A 5 54,-2.6 56,-3.3 -2,-0.4 2,-0.5 -0.984 14.0-142.2-120.7 125.3 41.8 -21.6 -4.4 83 86 A R E - e 0 138A 36 -76,-2.0 2,-0.4 -2,-0.5 -74,-0.4 -0.756 17.5-160.2 -84.9 128.2 39.2 -23.9 -6.0 84 87 A I E - e 0 139A 0 54,-3.6 56,-2.6 -2,-0.5 57,-0.2 -0.928 12.3-150.0-110.8 134.5 37.7 -22.3 -9.2 85 88 A A S S+ 0 0 7 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.885 80.6 25.1 -69.7 -41.6 34.4 -23.6 -10.5 86 89 A H + 0 0 0 26,-0.1 -1,-0.2 54,-0.1 22,-0.1 -0.988 46.1 168.4-136.4 128.9 35.0 -22.9 -14.2 87 90 A G >> - 0 0 0 -2,-0.4 4,-1.5 1,-0.2 3,-0.7 0.279 30.8-159.6-117.6 6.8 38.2 -22.5 -16.2 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 -0.123 59.1 -44.2 52.0-140.7 36.8 -22.5 -19.7 89 92 A E T 34 S+ 0 0 97 1,-0.1 -1,-0.2 3,-0.0 3,-0.0 0.451 130.3 77.7 -93.8 -6.2 39.2 -23.4 -22.6 90 93 A L T <4 S+ 0 0 68 -3,-0.7 2,-0.5 1,-0.1 -2,-0.2 0.726 87.7 56.5 -78.6 -24.6 41.8 -21.1 -21.0 91 94 A F < + 0 0 9 -4,-1.5 -1,-0.1 1,-0.1 -4,-0.1 -0.942 41.5 157.2-121.7 120.1 42.9 -23.4 -18.2 92 95 A T S S+ 0 0 91 -2,-0.5 2,-0.3 1,-0.1 53,-0.1 0.513 74.4 13.9-111.3 -13.0 44.3 -27.0 -18.7 93 96 A Q S S- 0 0 135 52,-0.0 2,-0.2 50,-0.0 -1,-0.1 -0.918 93.7 -71.6-150.7 173.8 46.2 -27.2 -15.4 94 97 A S - 0 0 12 -2,-0.3 2,-0.3 44,-0.1 44,-0.2 -0.517 52.8-166.7 -73.3 140.8 46.7 -25.5 -12.0 95 98 A V E -F 137 0A 32 42,-1.6 42,-2.8 -2,-0.2 2,-0.4 -0.888 28.1-104.2-129.1 157.1 48.5 -22.2 -12.1 96 99 A I E -F 136 0A 29 -2,-0.3 2,-0.4 40,-0.2 40,-0.3 -0.665 51.0-110.0 -71.9 132.1 50.2 -19.7 -9.8 97 100 A I + 0 0 3 38,-3.7 38,-0.3 -2,-0.4 2,-0.2 -0.562 52.7 154.0 -74.6 122.3 47.8 -16.7 -9.4 98 101 A T > - 0 0 54 -2,-0.4 4,-2.1 1,-0.0 3,-0.2 -0.796 61.6 -89.0-132.0 176.6 48.9 -13.5 -11.1 99 102 A D H > S+ 0 0 122 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.848 128.1 55.4 -56.5 -36.0 47.2 -10.4 -12.5 100 103 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 106.6 49.3 -61.5 -44.5 46.9 -12.3 -15.9 101 104 A I H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.901 108.1 53.2 -65.2 -42.6 45.1 -15.3 -14.2 102 105 A I H X S+ 0 0 22 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.897 109.9 48.9 -59.2 -42.8 42.6 -13.0 -12.4 103 106 A D H X S+ 0 0 87 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.900 112.4 48.7 -60.9 -43.2 41.8 -11.4 -15.8 104 107 A N H X S+ 0 0 30 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.867 110.1 48.9 -69.5 -40.2 41.4 -14.8 -17.4 105 108 A I H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.856 111.6 51.4 -64.8 -36.2 39.1 -16.2 -14.6 106 109 A R H < S+ 0 0 148 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.777 107.0 55.2 -69.9 -27.8 37.1 -13.0 -15.0 107 110 A R H < S+ 0 0 170 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.9 39.1 -71.1 -40.4 36.9 -13.7 -18.7 108 111 A V H >< S+ 0 0 14 -4,-1.6 3,-1.5 1,-0.2 4,-0.5 0.424 89.8 98.3 -90.8 -0.4 35.4 -17.2 -18.3 109 112 A S G >< + 0 0 0 -4,-0.5 3,-1.4 1,-0.3 7,-0.3 0.810 68.9 67.6 -57.1 -36.9 33.2 -16.1 -15.4 110 113 A P G 3 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.763 91.8 63.8 -55.6 -24.4 30.1 -15.6 -17.7 111 114 A L G < 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103.2 42.3 -69.1 -15.0 37.1 -28.0 -11.6 141 144 A T S > S+ 0 0 0 -57,-0.2 3,-1.4 31,-0.1 4,-0.2 0.655 87.4 87.8-106.0 -22.5 37.1 -28.1 -15.4 142 145 A S G > S+ 0 0 9 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.753 83.1 58.2 -58.6 -32.1 40.9 -28.2 -16.3 143 146 A F G > S+ 0 0 20 -4,-0.4 3,-0.7 1,-0.2 72,-0.7 0.802 101.7 55.5 -68.2 -30.2 41.1 -32.1 -16.1 144 147 A H G X S+ 0 0 0 -3,-1.4 3,-1.4 1,-0.2 -1,-0.2 0.380 79.0 95.4 -85.1 4.5 38.5 -32.5 -18.8 145 148 A Q G < + 0 0 32 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.637 67.8 73.0 -72.8 -13.6 40.3 -30.4 -21.3 146 149 A T G < S+ 0 0 66 -3,-0.7 -1,-0.3 -4,-0.1 -2,-0.1 0.442 74.3 121.5 -77.2 0.8 42.0 -33.4 -22.9 147 150 A L < - 0 0 8 -3,-1.4 69,-0.1 22,-0.1 70,-0.1 -0.396 63.8-124.4 -67.6 139.1 38.5 -34.2 -24.4 148 151 A A >> - 0 0 40 68,-0.4 3,-1.6 -2,-0.1 4,-1.4 -0.466 26.1-107.1 -80.4 154.6 38.2 -34.4 -28.2 149 152 A P H 3> S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 3,-0.4 0.863 120.7 59.2 -48.8 -42.1 35.8 -32.3 -30.2 150 153 A E H 34 S+ 0 0 183 1,-0.2 -3,-0.0 2,-0.2 0, 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142.5 20.4 -37.8 -11.9 230 233 A M - 0 0 0 3,-3.0 36,-2.3 -2,-0.2 37,-0.2 -0.390 38.5 -70.2-126.9-161.0 21.6 -36.2 -8.6 231 234 A G S S- 0 0 1 -28,-1.8 36,-2.6 34,-0.2 37,-0.3 0.977 125.2 -6.6 -62.5 -59.7 20.3 -35.0 -5.2 232 235 A T S S+ 0 0 36 -29,-0.5 32,-1.9 33,-0.2 2,-0.4 0.464 120.1 89.1-115.5 -9.5 18.4 -32.0 -6.4 233 236 A R - 0 0 43 -30,-0.4 -3,-3.0 31,-0.2 28,-0.2 -0.781 66.2-145.2 -98.8 136.6 19.4 -32.0 -10.1 234 237 A S - 0 0 21 26,-1.6 2,-0.2 -2,-0.4 -1,-0.1 0.791 30.1-156.6 -67.1 -33.1 17.4 -34.0 -12.7 235 238 A G + 0 0 2 -10,-0.4 -7,-0.2 25,-0.2 -1,-0.2 -0.593 60.3 17.6 84.4-152.0 20.3 -35.0 -14.8 236 239 A D S S+ 0 0 49 -9,-2.9 2,-0.4 -2,-0.2 -10,-0.1 -0.325 76.9 173.7 -54.4 123.8 19.8 -35.9 -18.5 237 240 A V - 0 0 77 -2,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.996 37.3-108.4-142.6 133.9 16.4 -34.6 -19.6 238 241 A D > - 0 0 110 -2,-0.4 4,-1.4 1,-0.2 3,-0.2 -0.404 20.1-154.0 -57.5 121.9 14.6 -34.4 -22.9 239 242 A F H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.794 96.6 59.0 -70.1 -29.9 14.6 -30.8 -24.1 240 243 A G H > S+ 0 0 43 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.812 105.4 49.8 -65.0 -32.4 11.4 -31.6 -26.1 241 244 A A H > S+ 0 0 37 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.859 109.0 51.5 -71.6 -38.2 9.8 -32.6 -22.8 242 245 A M H X S+ 0 0 29 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.853 109.9 49.0 -67.5 -37.2 10.9 -29.3 -21.2 243 246 A A H X S+ 0 0 40 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.851 111.0 51.0 -68.9 -36.8 9.4 -27.3 -24.1 244 247 A W H X S+ 0 0 156 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.886 108.8 50.2 -66.9 -42.8 6.2 -29.2 -23.8 245 248 A I H X S+ 0 0 60 -4,-2.2 4,-2.9 1,-0.2 6,-0.4 0.890 107.4 55.6 -61.6 -41.2 6.0 -28.6 -20.0 246 249 A A H X S+ 0 0 29 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.852 107.8 48.4 -59.6 -38.6 6.5 -24.9 -20.6 247 250 A K H < S+ 0 0 176 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.756 117.5 42.0 -72.8 -26.4 3.6 -24.8 -23.0 248 251 A E H < S+ 0 0 130 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.893 123.5 30.9 -90.6 -46.2 1.3 -26.6 -20.5 249 252 A T H < S- 0 0 85 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.531 99.6-124.6 -92.4 -9.5 2.1 -25.0 -17.1 250 253 A G < + 0 0 61 -4,-0.9 -4,-0.1 -5,-0.4 -3,-0.1 0.581 59.7 148.7 75.1 11.2 3.0 -21.6 -18.6 251 254 A Q - 0 0 63 -6,-0.4 -1,-0.2 1,-0.1 2,-0.1 -0.443 39.7-133.4 -77.7 149.4 6.4 -21.7 -16.9 252 255 A T > - 0 0 76 -2,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.442 28.0-101.8 -94.7 173.7 9.5 -20.0 -18.5 253 256 A L H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.838 124.5 52.7 -64.5 -34.8 13.0 -21.4 -19.0 254 257 A S H > S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.846 110.3 48.4 -67.0 -36.6 14.2 -19.4 -15.9 255 258 A D H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.930 112.6 47.0 -67.0 -47.5 11.4 -20.9 -13.9 256 259 A L H X S+ 0 0 16 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.727 101.6 67.2 -68.4 -24.4 12.2 -24.5 -15.1 257 260 A E H X S+ 0 0 117 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.923 103.5 44.4 -59.1 -46.7 15.9 -23.8 -14.4 258 261 A R H X>S+ 0 0 46 -4,-1.1 4,-2.6 -3,-0.4 5,-0.9 0.878 113.1 51.6 -65.5 -40.8 15.1 -23.7 -10.6 259 262 A V H X5S+ 0 0 40 -4,-1.4 4,-1.0 3,-0.2 5,-0.3 0.925 115.9 40.3 -60.2 -47.9 12.9 -26.8 -10.9 260 263 A V H <5S+ 0 0 18 -4,-2.7 -26,-1.6 3,-0.2 -2,-0.2 0.860 123.1 39.8 -71.0 -37.8 15.6 -28.8 -12.7 261 264 A N H <5S+ 0 0 35 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.805 133.9 12.0 -84.4 -32.2 18.5 -27.5 -10.5 262 265 A K H <5S+ 0 0 124 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.626 127.4 42.7-125.1 -21.2 16.9 -27.4 -7.0 263 266 A E S <> + 0 0 20 -32,-1.9 4,-1.6 -5,-0.3 3,-0.8 0.047 67.5 54.5-104.6-152.7 14.4 -32.4 -9.0 265 268 A G H 3> S- 0 0 3 2,-0.2 4,-2.1 1,-0.2 -34,-0.2 -0.317 120.3 -14.9 66.3-138.2 16.6 -35.5 -8.8 266 269 A L H 3> S+ 0 0 1 -36,-2.3 4,-1.5 -35,-0.3 5,-0.4 0.853 144.2 51.2 -65.4 -37.6 16.3 -37.7 -5.7 267 270 A L H <> S+ 0 0 59 -36,-2.6 4,-1.6 -3,-0.8 5,-0.3 0.897 110.1 51.0 -63.9 -42.6 14.4 -34.9 -4.0 268 271 A G H < S+ 0 0 32 -4,-1.6 -2,-0.2 -37,-0.3 -1,-0.2 0.940 114.9 37.0 -62.5 -54.6 12.0 -34.6 -7.0 269 272 A I H < S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.958 124.2 37.7 -67.4 -54.4 11.0 -38.2 -7.4 270 273 A S H < S- 0 0 2 -4,-1.5 20,-0.2 -5,-0.2 -1,-0.2 0.830 87.4-148.2 -69.3 -34.7 10.8 -39.3 -3.8 271 274 A G S < S+ 0 0 49 -4,-1.6 -3,-0.1 -5,-0.4 -4,-0.1 0.857 78.6 79.1 65.2 37.6 9.3 -36.1 -2.5 272 275 A L S S- 0 0 89 -6,-0.3 2,-0.3 1,-0.3 -5,-0.1 0.556 96.6 -27.0-136.8 -62.1 11.1 -36.7 0.8 273 276 A S - 0 0 27 -7,-0.3 -1,-0.3 2,-0.1 -3,-0.2 -0.986 31.2-133.4-159.9 160.9 14.9 -35.8 0.7 274 277 A S S S+ 0 0 36 -2,-0.3 2,-0.2 -7,-0.1 -8,-0.1 0.602 82.6 100.6 -87.6 -17.8 18.0 -35.5 -1.5 275 278 A D > - 0 0 44 1,-0.1 4,-1.3 -9,-0.1 -2,-0.1 -0.514 63.8-153.0 -73.5 132.6 19.9 -37.4 1.2 276 279 A L H > S+ 0 0 11 -2,-0.2 4,-3.2 2,-0.2 5,-0.3 0.867 91.5 61.1 -74.1 -39.8 20.5 -41.1 0.5 277 280 A R H > S+ 0 0 190 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.817 107.5 48.7 -57.4 -32.3 20.7 -42.3 4.1 278 281 A V H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.922 114.5 43.5 -69.0 -47.9 17.1 -41.1 4.5 279 282 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.807 108.4 57.3 -73.4 -33.0 15.9 -42.8 1.3 280 283 A E H X S+ 0 0 56 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.877 113.7 40.8 -61.6 -40.5 17.7 -46.1 2.0 281 284 A K H X S+ 0 0 47 -4,-1.0 4,-1.5 -5,-0.3 -2,-0.2 0.828 111.6 56.8 -75.5 -35.7 15.9 -46.3 5.3 282 285 A A H <>S+ 0 0 6 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.908 109.9 44.4 -61.5 -44.1 12.6 -45.0 3.7 283 286 A W H ><5S+ 0 0 68 -4,-2.5 3,-2.0 3,-0.2 -1,-0.2 0.883 108.9 57.0 -66.6 -40.0 12.8 -47.9 1.2 284 287 A H H 3<5S+ 0 0 172 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.7 51.1 -57.6 -31.3 13.6 -50.3 4.0 285 288 A E T 3<5S- 0 0 159 -4,-1.5 -1,-0.3 -5,-0.0 -2,-0.2 0.226 129.6 -99.7 -91.9 11.1 10.4 -49.0 5.6 286 289 A G T < 5 + 0 0 62 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.654 63.0 162.0 83.4 18.3 8.5 -49.8 2.4 287 290 A H >< - 0 0 62 -5,-2.7 4,-1.1 1,-0.1 -1,-0.3 -0.588 25.2-158.3 -70.7 124.9 8.3 -46.3 0.8 288 291 A E H > S+ 0 0 69 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.936 85.6 46.9 -73.5 -49.3 7.5 -46.7 -2.9 289 292 A R H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.750 109.0 55.8 -67.8 -26.9 8.8 -43.4 -4.3 290 293 A A H > S+ 0 0 0 2,-0.2 4,-2.0 -20,-0.2 -1,-0.2 0.888 107.3 49.4 -71.2 -40.9 12.1 -43.6 -2.4 291 294 A R H X S+ 0 0 96 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.881 112.0 48.7 -62.1 -41.9 12.8 -47.1 -3.9 292 295 A L H X S+ 0 0 81 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.856 109.1 52.5 -68.7 -37.4 12.0 -45.7 -7.4 293 296 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.899 114.1 42.8 -63.6 -43.0 14.3 -42.7 -6.9 294 297 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.899 114.1 50.4 -69.4 -43.3 17.2 -44.9 -5.9 295 298 A K H X S+ 0 0 85 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.827 113.7 45.4 -66.1 -35.0 16.5 -47.4 -8.7 296 299 A T H X S+ 0 0 44 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.926 112.3 51.5 -69.4 -49.3 16.4 -44.6 -11.2 297 300 A F H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.932 114.0 44.4 -49.1 -52.7 19.6 -43.1 -9.7 298 301 A V H X S+ 0 0 3 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.899 112.4 52.8 -59.4 -45.1 21.3 -46.5 -10.0 299 302 A H H X S+ 0 0 81 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 109.9 46.3 -60.3 -46.7 20.0 -47.1 -13.5 300 303 A R H X S+ 0 0 78 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.760 110.6 54.0 -71.5 -26.3 21.3 -43.7 -14.8 301 304 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 -5,-0.3 -1,-0.2 0.923 110.6 45.7 -69.0 -45.6 24.7 -44.3 -13.2 302 305 A A H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.837 111.2 53.6 -66.0 -34.8 25.1 -47.7 -14.9 303 306 A R H X S+ 0 0 179 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.910 115.1 39.2 -66.5 -44.9 23.9 -46.3 -18.2 304 307 A H H X S+ 0 0 39 -4,-1.6 4,-3.3 2,-0.2 5,-0.2 0.887 113.1 54.6 -74.7 -40.3 26.6 -43.5 -18.1 305 308 A I H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.968 115.2 40.2 -54.4 -54.3 29.3 -45.7 -16.7 306 309 A A H < S+ 0 0 37 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.811 115.2 53.8 -64.2 -33.9 28.9 -48.2 -19.5 307 310 A G H >< S+ 0 0 40 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.925 108.5 47.6 -64.3 -47.7 28.4 -45.3 -22.0 308 311 A H H >< S+ 0 0 4 -4,-3.3 3,-1.1 1,-0.2 -1,-0.2 0.692 98.4 71.9 -66.3 -21.5 31.7 -43.7 -20.9 309 312 A A G >< S+ 0 0 17 -4,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.732 83.1 70.1 -67.5 -23.4 33.4 -47.1 -21.2 310 313 A A G < S+ 0 0 87 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.757 86.4 66.7 -64.5 -26.4 33.1 -46.7 -25.0 311 314 A S G < S+ 0 0 35 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.3 0.208 92.8 81.7 -80.5 15.6 35.8 -44.0 -24.9 312 315 A L < - 0 0 20 -3,-1.3 3,-0.2 1,-0.1 -117,-0.1 -0.931 69.4-147.2-122.1 146.5 38.3 -46.5 -23.8 313 316 A H S S+ 0 0 97 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.804 95.3 4.6 -72.3 -31.3 40.4 -49.1 -25.7 314 317 A R S S- 0 0 94 -120,-0.1 2,-0.7 -3,-0.1 -1,-0.3 -0.981 71.0-132.7-154.6 140.7 40.2 -51.4 -22.7 315 318 A L + 0 0 32 -2,-0.3 -119,-0.2 1,-0.2 3,-0.1 -0.889 32.2 160.1-102.3 114.1 38.3 -51.2 -19.3 316 319 A D + 0 0 23 -121,-2.9 54,-2.2 -2,-0.7 2,-0.3 0.841 60.1 9.6 -98.1 -45.1 40.5 -52.0 -16.4 317 320 A G E -ik 196 370C 0 -122,-1.4 -120,-2.0 52,-0.2 2,-0.4 -0.974 45.2-152.0-143.1 152.9 38.7 -50.5 -13.4 318 321 A I E -ik 197 371C 0 52,-2.5 54,-2.1 -2,-0.3 2,-0.5 -0.997 25.5-163.2-120.2 122.7 35.6 -48.8 -12.1 319 322 A I E -ik 198 372C 0 -122,-3.3 -120,-3.4 -2,-0.4 2,-0.4 -0.927 5.7-154.8-116.7 126.4 36.2 -46.5 -9.1 320 323 A F E +ik 199 373C 0 52,-2.5 54,-2.0 -2,-0.5 2,-0.3 -0.797 25.5 155.3 -98.7 139.4 33.5 -45.2 -6.7 321 324 A T E > +i 200 0C 0 -122,-2.3 -120,-3.8 -2,-0.4 4,-0.8 -0.967 22.8 61.4-157.4 167.3 34.0 -42.0 -4.8 322 325 A G H > S- 0 0 3 -2,-0.3 4,-3.1 -122,-0.2 5,-0.4 -0.169 97.9 -55.1 93.7 166.9 32.2 -39.1 -3.1 323 326 A G H > S+ 0 0 48 1,-0.2 4,-0.9 2,-0.2 -121,-0.2 0.835 141.9 36.9 -45.2 -43.1 29.8 -39.2 -0.1 324 327 A I H > S+ 0 0 18 -123,-2.4 4,-2.7 -3,-0.2 3,-0.3 0.944 118.1 48.3 -76.7 -51.1 27.6 -41.7 -1.8 325 328 A G H < S+ 0 0 0 -124,-1.3 -2,-0.2 -4,-0.8 -3,-0.2 0.766 115.4 45.3 -61.7 -29.2 30.3 -43.8 -3.6 326 329 A E H < S+ 0 0 24 -4,-3.1 -1,-0.2 -125,-0.3 -2,-0.2 0.785 126.6 24.9 -83.7 -29.3 32.4 -44.0 -0.4 327 330 A N H < S+ 0 0 95 -4,-0.9 2,-1.0 -5,-0.4 -2,-0.2 0.602 92.1 95.4-117.1 -17.5 29.7 -45.0 2.0 328 331 A S X + 0 0 4 -4,-2.7 4,-1.6 1,-0.2 5,-0.2 -0.700 36.0 174.6 -91.9 100.1 26.7 -46.6 0.2 329 332 A V H > S+ 0 0 50 -2,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.868 83.3 48.7 -63.5 -38.5 27.0 -50.4 0.3 330 333 A L H > S+ 0 0 59 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.966 109.6 46.7 -68.2 -57.5 23.6 -50.7 -1.4 331 334 A I H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 111.3 53.0 -57.1 -43.3 24.0 -48.3 -4.4 332 335 A R H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.915 112.9 43.6 -57.5 -46.8 27.5 -49.7 -5.2 333 336 A Q H X S+ 0 0 50 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.907 113.7 50.4 -66.8 -44.0 26.1 -53.3 -5.4 334 337 A L H X S+ 0 0 27 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.914 113.4 45.8 -59.7 -45.8 22.9 -52.2 -7.3 335 338 A V H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.913 115.3 46.5 -63.6 -45.1 25.1 -50.3 -9.9 336 339 A I H >< S+ 0 0 1 -4,-2.4 3,-1.8 1,-0.2 8,-0.3 0.917 111.0 50.9 -65.7 -44.1 27.6 -53.2 -10.2 337 340 A E H >< S+ 0 0 120 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.775 106.3 58.0 -61.6 -27.0 24.8 -55.8 -10.5 338 341 A H T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.474 102.7 56.3 -78.9 -5.3 23.4 -53.5 -13.2 339 342 A L T X > + 0 0 4 -3,-1.8 3,-1.0 1,-0.1 5,-0.7 -0.198 61.3 123.1-122.0 41.2 26.7 -53.9 -15.1 340 343 A G G X 5 + 0 0 47 -3,-0.7 3,-1.4 1,-0.2 -1,-0.1 0.714 63.5 75.5 -69.7 -21.8 26.8 -57.7 -15.5 341 344 A V G 3 5S+ 0 0 134 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.751 96.6 47.2 -60.9 -26.0 27.1 -57.1 -19.2 342 345 A L G < 5S- 0 0 55 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.444 122.8-110.2 -93.9 -4.0 30.7 -56.1 -18.6 343 346 A G T < 5 + 0 0 16 -3,-1.4 25,-2.6 1,-0.2 26,-0.6 0.945 53.2 169.0 76.1 52.1 31.3 -59.1 -16.4 344 347 A L < - 0 0 18 -5,-0.7 2,-0.5 -8,-0.3 -1,-0.2 -0.870 16.1-167.4 -97.8 121.6 31.6 -57.7 -12.9 345 348 A T - 0 0 60 -2,-0.6 19,-2.3 24,-0.3 2,-0.4 -0.949 16.1-144.8-105.0 124.1 31.5 -60.1 -10.0 346 349 A L B -M 363 0D 30 -2,-0.5 2,-0.9 17,-0.3 17,-0.2 -0.755 8.3-145.6 -95.9 131.7 31.1 -58.3 -6.7 347 350 A D > - 0 0 54 15,-1.7 4,-2.0 -2,-0.4 5,-0.2 -0.840 15.5-168.5 -89.5 102.9 32.7 -59.4 -3.4 348 351 A V H > S+ 0 0 65 -2,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.774 83.0 58.5 -70.2 -28.5 30.0 -58.4 -0.9 349 352 A E H > S+ 0 0 143 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.944 112.0 41.4 -60.7 -48.6 32.2 -58.9 2.1 350 353 A M H 4 S+ 0 0 76 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.812 114.7 51.7 -68.2 -33.6 34.6 -56.4 0.7 351 354 A N H < S+ 0 0 0 -4,-2.0 -1,-0.2 11,-0.3 -2,-0.2 0.719 101.7 62.8 -74.7 -22.2 31.7 -54.1 -0.4 352 355 A K H < S+ 0 0 50 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.772 79.0 106.5 -72.0 -28.2 30.3 -54.3 3.1 353 356 A Q S < S- 0 0 56 -4,-0.7 7,-0.0 -3,-0.3 -3,-0.0 -0.285 71.6-123.2 -60.0 131.4 33.3 -52.6 4.7 354 357 A P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 -27,-0.1 -0.153 33.4 -91.3 -68.6 170.0 32.7 -49.0 5.8 355 358 A N G > S+ 0 0 39 1,-0.3 3,-2.4 2,-0.2 -28,-0.1 0.654 114.5 81.9 -59.9 -19.7 34.8 -46.0 4.6 356 359 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.744 81.4 66.0 -56.4 -25.3 37.2 -46.4 7.5 357 360 A H G < S- 0 0 97 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.367 91.3-168.1 -78.9 3.7 38.9 -49.1 5.4 358 361 A G < + 0 0 21 -3,-2.4 2,-0.4 2,-0.0 -1,-0.2 -0.074 56.0 22.9 51.0-133.5 39.8 -46.3 2.9 359 362 A E S S+ 0 0 58 15,-0.1 2,-0.3 -3,-0.1 15,-0.2 -0.541 84.3 155.7 -69.8 119.5 41.2 -47.3 -0.5 360 363 A R E -L 373 0C 12 13,-2.2 13,-3.5 -2,-0.4 2,-0.4 -0.998 44.7-123.6-154.0 139.6 39.8 -50.8 -1.1 361 364 A I E -L 372 0C 59 -2,-0.3 11,-0.3 11,-0.3 9,-0.0 -0.731 22.3-177.6 -85.2 132.5 39.0 -53.3 -3.9 362 365 A I + 0 0 0 9,-2.5 -15,-1.7 -2,-0.4 2,-0.3 0.250 49.9 92.7-117.4 9.8 35.4 -54.5 -3.7 363 366 A S B -M 346 0D 14 8,-1.0 -17,-0.3 -17,-0.2 7,-0.1 -0.799 69.3-121.1-108.7 150.6 35.3 -56.9 -6.7 364 367 A A - 0 0 23 -19,-2.3 3,-0.3 -2,-0.3 -19,-0.2 -0.088 30.3-101.2 -76.5 178.5 36.0 -60.7 -6.7 365 368 A N S S+ 0 0 160 1,-0.2 -1,-0.1 -19,-0.1 -2,-0.0 0.930 116.4 56.0 -68.5 -49.5 38.6 -62.6 -8.7 366 369 A P S S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.642 83.4 112.2 -62.2 -13.5 36.4 -64.0 -11.6 367 370 A S - 0 0 16 -3,-0.3 -23,-0.2 -22,-0.2 -24,-0.1 -0.419 61.5-151.7 -61.9 129.1 35.4 -60.3 -12.3 368 371 A Q S S+ 0 0 145 -25,-2.6 2,-0.4 -2,-0.2 -24,-0.2 0.812 84.1 45.0 -72.0 -33.0 36.8 -59.1 -15.6 369 372 A V S S- 0 0 10 -26,-0.6 2,-0.3 -27,-0.1 -24,-0.3 -0.953 88.5-123.2-116.8 133.6 36.9 -55.5 -14.5 370 373 A I E -k 317 0C 57 -54,-2.2 -52,-2.5 -2,-0.4 2,-0.4 -0.575 22.1-159.2 -76.6 129.1 38.3 -54.5 -11.1 371 374 A C E +k 318 0C 1 -2,-0.3 -9,-2.5 -54,-0.2 -8,-1.0 -0.924 19.2 166.9-108.0 136.7 35.9 -52.5 -8.8 372 375 A A E -kL 319 361C 0 -54,-2.1 -52,-2.5 -2,-0.4 2,-0.5 -0.977 33.2-131.7-147.4 156.4 37.3 -50.3 -6.0 373 376 A V E +kL 320 360C 0 -13,-3.5 -13,-2.2 -2,-0.3 -52,-0.2 -0.962 24.8 177.6-111.7 120.2 36.4 -47.6 -3.5 374 377 A I - 0 0 0 -54,-2.0 2,-0.3 -2,-0.5 -52,-0.2 -0.959 26.8-133.3-124.7 111.3 38.8 -44.7 -3.3 375 378 A P - 0 0 27 0, 0.0 -54,-0.1 0, 0.0 -16,-0.1 -0.473 27.9-128.5 -61.5 122.5 37.9 -41.8 -0.9 376 379 A T - 0 0 26 -2,-0.3 2,-0.2 1,-0.0 -201,-0.1 -0.366 21.0-168.6 -72.6 152.8 38.4 -38.5 -2.8 377 380 A N > + 0 0 49 -203,-0.2 4,-1.9 -202,-0.1 5,-0.2 -0.622 14.0 168.4-144.6 81.0 40.5 -35.7 -1.3 378 381 A E H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 81.5 53.8 -63.6 -39.8 40.1 -32.5 -3.3 379 382 A E H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 108.8 49.5 -58.6 -44.6 41.8 -30.4 -0.6 380 383 A K H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.866 110.3 50.2 -64.6 -39.1 44.9 -32.8 -0.7 381 384 A M H X S+ 0 0 16 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.862 110.7 49.5 -67.4 -38.3 45.0 -32.5 -4.5 382 385 A I H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 112.8 48.0 -65.4 -42.3 44.9 -28.7 -4.3 383 386 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.929 108.3 53.5 -63.2 -47.5 47.7 -28.8 -1.7 384 387 A L H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.811 110.1 49.0 -58.3 -33.0 49.8 -31.2 -3.8 385 388 A D H X S+ 0 0 14 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.894 111.3 49.0 -70.9 -42.8 49.5 -28.7 -6.7 386 389 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.885 110.1 51.0 -64.2 -41.8 50.5 -25.8 -4.5 387 390 A I H < S+ 0 0 46 -4,-2.8 3,-0.4 2,-0.2 4,-0.3 0.927 112.6 46.7 -61.0 -46.8 53.5 -27.7 -3.2 388 391 A H H >< S+ 0 0 129 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.907 115.3 45.6 -59.1 -45.7 54.6 -28.5 -6.7 389 392 A L H >< S+ 0 0 21 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.579 96.4 75.7 -78.5 -10.9 54.1 -24.9 -7.8 390 393 A G T 3< S+ 0 0 27 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.611 90.6 57.5 -72.8 -13.8 55.8 -23.5 -4.7 391 394 A N T < S+ 0 0 131 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.568 86.8 105.2 -89.4 -12.6 59.2 -24.5 -6.3 392 395 A V < - 0 0 55 -3,-0.8 2,-0.5 -4,-0.2 -3,-0.0 -0.397 66.9-133.9 -76.0 142.9 58.5 -22.3 -9.4 393 396 A K 0 0 200 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 -0.872 360.0 360.0 -94.4 124.8 60.3 -19.0 -10.1 394 397 A A 0 0 115 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 -0.110 360.0 360.0-112.8 360.0 57.8 -16.3 -11.2