==== 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 4FWN . 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) . 18231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 74.6 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 . 47 11.9 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 . 2 0.5 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 33.2 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 1 2 1 0 2 2 1 0 0 3 0 0 1 0 0 0 0 1 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 . 1 3 0 2 0 0 3 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 0 1 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 0 101 0, 0.0 75,-0.0 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 113.4 -5.1 -62.4 -20.2 2 5 A P - 0 0 57 0, 0.0 19,-2.3 0, 0.0 20,-0.5 -0.179 360.0-143.8 -71.3 165.9 -6.0 -59.6 -17.8 3 6 A V E -Ab 20 77A 5 73,-2.1 75,-2.0 17,-0.2 76,-1.3 -0.899 6.0-130.5-132.5 159.5 -3.7 -56.6 -16.9 4 7 A V E -Ab 19 79A 1 15,-3.0 15,-2.2 -2,-0.3 2,-0.7 -0.925 14.2-147.3-110.7 135.0 -2.8 -54.3 -14.0 5 8 A L E -Ab 18 80A 7 74,-2.5 76,-2.3 -2,-0.4 2,-0.4 -0.901 14.6-162.5-103.3 112.3 -2.8 -50.5 -14.2 6 9 A V E -Ab 17 81A 7 11,-3.0 11,-1.7 -2,-0.7 2,-0.4 -0.790 7.0-170.1 -97.9 136.1 -0.2 -48.9 -12.0 7 10 A I E -Ab 16 82A 19 74,-2.5 76,-2.6 -2,-0.4 2,-0.4 -0.989 15.7-178.9-132.2 127.8 -0.5 -45.2 -11.1 8 11 A N E -A 15 0A 76 7,-3.0 7,-2.4 -2,-0.4 2,-0.9 -0.863 12.7-166.0-125.1 97.6 2.0 -42.8 -9.4 9 12 A C E -A 14 0A 3 74,-0.4 5,-0.2 -2,-0.4 110,-0.2 -0.741 9.5-179.3 -86.4 105.2 0.6 -39.3 -9.0 10 13 A G - 0 0 18 3,-1.5 105,-0.0 -2,-0.9 -2,-0.0 -0.371 44.4-101.2 -84.9 176.7 3.2 -36.8 -8.1 11 14 A S S S+ 0 0 65 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 0.875 122.6 30.1 -65.8 -36.8 2.4 -33.1 -7.6 12 15 A S S S+ 0 0 68 22,-0.1 23,-2.2 24,-0.1 22,-0.6 0.620 126.8 14.8 -98.4 -17.2 3.7 -32.2 -11.1 13 16 A S E - C 0 33A 19 20,-0.2 -3,-1.5 21,-0.2 2,-0.4 -0.864 57.0-124.9-149.8 173.9 2.9 -35.4 -13.0 14 17 A I E -AC 9 32A 5 18,-1.2 18,-2.1 -2,-0.2 2,-0.4 -0.924 24.3-168.5-131.9 109.3 1.2 -38.8 -13.5 15 18 A K E +AC 8 31A 122 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.3 -0.790 14.4 176.1 -93.7 139.3 3.4 -41.8 -14.2 16 19 A F E -AC 7 30A 6 14,-2.2 14,-1.7 -2,-0.4 2,-0.3 -0.949 16.7-170.9-140.7 162.3 1.7 -45.1 -15.2 17 20 A S E -AC 6 29A 15 -11,-1.7 -11,-3.0 -2,-0.3 2,-0.6 -0.982 15.1-147.7-151.2 142.9 2.4 -48.6 -16.4 18 21 A V E -AC 5 28A 0 10,-2.5 9,-3.1 -2,-0.3 10,-1.2 -0.939 24.8-174.9-113.2 108.7 0.3 -51.5 -17.8 19 22 A L E -AC 4 26A 0 -15,-2.2 -15,-3.0 -2,-0.6 2,-0.3 -0.833 27.7-114.2-107.3 142.1 1.6 -54.9 -16.7 20 23 A D E > -A 3 0A 26 5,-2.4 4,-2.6 -2,-0.4 3,-0.4 -0.573 15.4-146.4 -73.9 128.3 0.4 -58.3 -17.8 21 24 A V T 4 S+ 0 0 37 -19,-2.3 -1,-0.1 -2,-0.3 -18,-0.1 0.875 95.5 57.3 -59.9 -38.8 -1.1 -60.3 -15.0 22 25 A A T 4 S+ 0 0 74 -20,-0.5 -1,-0.2 1,-0.2 -19,-0.1 0.800 128.9 6.3 -65.6 -34.0 0.1 -63.6 -16.4 23 26 A T T 4 S- 0 0 78 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.472 90.3-118.5-131.3 -8.1 3.9 -62.7 -16.5 24 27 A C < + 0 0 24 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.783 61.9 154.1 63.7 31.5 4.3 -59.3 -14.8 25 28 A D - 0 0 97 -5,-0.4 -5,-2.4 1,-0.0 2,-0.6 -0.639 51.3-111.4 -90.8 146.4 5.7 -57.9 -18.0 26 29 A V E +C 19 0A 88 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.676 38.6 168.5 -77.8 115.5 5.5 -54.2 -19.0 27 30 A L E + 0 0 99 -9,-3.1 2,-0.3 -2,-0.6 -8,-0.2 0.727 67.8 2.9 -95.6 -28.7 3.1 -53.8 -21.9 28 31 A M E -C 18 0A 5 -10,-1.2 -10,-2.5 2,-0.0 -1,-0.4 -0.986 59.3-178.0-156.7 151.0 2.8 -50.0 -21.8 29 32 A A E +C 17 0A 36 -2,-0.3 16,-1.9 -12,-0.2 2,-0.3 -0.981 14.7 148.6-152.6 146.6 4.3 -47.0 -20.0 30 33 A G E -CD 16 44A 11 -14,-1.7 -14,-2.2 -2,-0.3 2,-0.3 -0.987 29.4-126.8-167.1 173.7 3.8 -43.3 -20.1 31 34 A I E -CD 15 43A 58 12,-2.6 12,-2.6 -2,-0.3 2,-0.6 -0.988 3.0-155.6-135.2 141.6 3.8 -39.9 -18.3 32 35 A A E -CD 14 42A 1 -18,-2.1 -18,-1.2 -2,-0.3 10,-0.2 -0.897 33.9-176.0-115.0 98.2 1.3 -37.0 -18.0 33 36 A D E +CD 13 41A 64 8,-1.6 8,-1.8 -2,-0.6 -20,-0.2 -0.461 48.6 38.2-101.0 163.6 3.4 -34.0 -17.3 34 37 A G S > S- 0 0 14 -22,-0.6 3,-0.5 6,-0.2 21,-0.3 0.958 76.9-164.7 65.5 55.3 2.8 -30.3 -16.4 35 38 A M T 3 - 0 0 10 -23,-2.2 21,-0.2 1,-0.2 -1,-0.2 -0.477 61.9 -0.2 -82.3 142.5 -0.2 -30.9 -14.2 36 39 A N T 3 S+ 0 0 82 19,-1.4 -1,-0.2 1,-0.2 20,-0.1 0.332 107.8 114.9 63.6 -5.0 -2.7 -28.2 -13.2 37 40 A T S < S- 0 0 73 -3,-0.5 18,-0.3 18,-0.2 -1,-0.2 -0.113 88.7 -94.0 -80.8-178.0 -0.6 -25.8 -15.2 38 41 A E S S+ 0 0 78 1,-0.2 2,-0.5 16,-0.1 16,-0.1 0.786 115.1 43.4 -68.5 -29.5 -1.5 -23.8 -18.4 39 42 A N + 0 0 102 14,-0.3 2,-0.4 15,-0.1 -1,-0.2 -0.967 66.2 175.0-125.7 118.1 0.0 -26.6 -20.5 40 43 A A + 0 0 5 -2,-0.5 12,-0.8 12,-0.2 2,-0.3 -0.975 8.5 178.5-120.8 134.1 -0.5 -30.3 -19.9 41 44 A F E -DE 33 51A 83 -8,-1.8 -8,-1.6 -2,-0.4 2,-0.4 -0.946 18.6-142.4-137.2 155.4 0.8 -33.1 -22.2 42 45 A L E -DE 32 50A 18 8,-3.3 8,-1.5 -2,-0.3 2,-0.4 -0.959 12.2-174.8-121.2 134.0 0.9 -36.9 -22.4 43 46 A S E -D 31 0A 20 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.5 -0.988 1.8-172.2-130.2 122.7 3.7 -39.1 -23.7 44 47 A I E > S-D 30 0A 10 -2,-0.4 3,-2.2 -14,-0.2 4,-0.3 -0.971 76.9 -23.3-118.3 123.0 3.4 -42.8 -24.1 45 48 A N T 3 S- 0 0 106 -16,-1.9 -15,-0.1 -2,-0.5 -1,-0.1 0.559 113.3 -75.1 55.3 10.8 6.5 -44.9 -25.0 46 49 A G T 3 S+ 0 0 59 2,-0.1 -1,-0.3 0, 0.0 -16,-0.1 0.863 98.8 136.6 66.2 38.6 7.8 -41.6 -26.4 47 50 A D S < S- 0 0 99 -3,-2.2 -2,-0.1 1,-0.2 -4,-0.1 0.980 76.7 -26.2 -75.3 -67.2 5.5 -42.0 -29.4 48 51 A K - 0 0 68 -4,-0.3 2,-1.6 -6,-0.1 -1,-0.2 -0.843 59.2-127.1-155.8 112.6 4.2 -38.5 -29.8 49 52 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.437 32.5-164.0 -63.0 86.9 3.8 -35.9 -27.0 50 53 A I E -E 42 0A 65 -2,-1.6 -8,-3.3 -8,-1.5 2,-0.6 -0.626 5.5-148.9 -77.7 129.3 0.1 -35.0 -27.4 51 54 A N E +E 41 0A 67 -2,-0.4 2,-1.0 -10,-0.3 -10,-0.3 -0.870 23.0 179.4-113.9 106.3 -0.7 -31.8 -25.6 52 55 A L - 0 0 66 -12,-0.8 -12,-0.2 -2,-0.6 11,-0.0 -0.794 36.7-137.2 -96.9 87.9 -4.2 -31.1 -24.1 53 56 A A S S+ 0 0 61 -2,-1.0 -14,-0.3 -14,-0.2 -15,-0.1 -0.110 72.4 9.7 -55.2 138.1 -3.4 -27.6 -22.7 54 57 A H S S+ 0 0 68 1,-0.2 2,-0.4 -20,-0.2 -1,-0.2 0.989 84.8 157.6 54.7 77.5 -4.7 -26.8 -19.1 55 58 A S - 0 0 9 -21,-0.3 -19,-1.4 -18,-0.3 -18,-0.2 -0.989 30.5-138.2-134.4 140.1 -5.9 -30.1 -17.8 56 59 A N > - 0 0 79 -2,-0.4 4,-2.1 -21,-0.2 5,-0.3 -0.228 41.3 -84.9 -88.0 178.9 -6.5 -31.5 -14.3 57 60 A Y H > S+ 0 0 35 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.777 129.2 48.4 -55.0 -32.3 -5.7 -34.9 -12.8 58 61 A E H > S+ 0 0 85 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.882 108.6 52.3 -76.3 -41.1 -9.0 -36.3 -14.0 59 62 A D H > S+ 0 0 80 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.897 111.9 45.2 -63.4 -44.7 -8.6 -35.0 -17.6 60 63 A A H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.867 112.3 51.2 -67.3 -39.3 -5.1 -36.6 -18.1 61 64 A L H X S+ 0 0 20 -4,-1.2 4,-1.4 -5,-0.3 -1,-0.2 0.801 109.8 51.2 -67.5 -30.0 -6.3 -39.9 -16.5 62 65 A K H X S+ 0 0 26 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.755 106.0 56.1 -73.8 -27.8 -9.2 -39.7 -19.0 63 66 A A H X S+ 0 0 29 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.888 108.4 45.3 -69.7 -41.9 -6.6 -39.2 -21.8 64 67 A I H X S+ 0 0 11 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.853 108.3 59.9 -66.6 -35.6 -4.8 -42.4 -20.8 65 68 A A H X S+ 0 0 19 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.890 104.1 48.7 -58.3 -43.8 -8.2 -44.0 -20.6 66 69 A F H X S+ 0 0 148 -4,-1.6 4,-2.3 1,-0.2 3,-0.3 0.901 110.2 52.2 -59.4 -43.2 -8.8 -43.2 -24.3 67 70 A E H X S+ 0 0 69 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.731 103.9 56.1 -70.0 -25.7 -5.3 -44.6 -25.2 68 71 A L H <>S+ 0 0 1 -4,-1.6 5,-2.5 2,-0.2 6,-1.1 0.814 110.1 45.9 -74.0 -32.9 -6.1 -47.9 -23.4 69 72 A E H ><5S+ 0 0 121 -4,-1.2 3,-1.7 -3,-0.3 -2,-0.2 0.892 109.4 55.7 -70.6 -43.4 -9.2 -48.2 -25.6 70 73 A K H 3<5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.903 110.2 44.1 -54.9 -45.9 -7.1 -47.3 -28.7 71 74 A R T 3<5S- 0 0 116 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.233 114.8-121.7 -88.6 14.1 -4.6 -50.1 -28.0 72 75 A D T < 5S+ 0 0 146 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.865 85.2 102.1 49.1 54.6 -7.6 -52.5 -27.2 73 76 A L >>< + 0 0 32 -5,-2.5 3,-1.2 2,-0.0 4,-0.6 0.265 42.2 105.4-139.4 5.2 -6.8 -53.5 -23.7 74 77 A T G >4 S+ 0 0 35 -6,-1.1 3,-0.9 1,-0.3 -5,-0.1 0.876 83.3 46.3 -55.1 -45.0 -9.2 -51.3 -21.7 75 78 A D G 34 S+ 0 0 162 1,-0.2 -1,-0.3 -7,-0.1 -6,-0.1 0.488 103.3 65.3 -82.2 -4.6 -11.6 -54.1 -20.9 76 79 A S G <4 S+ 0 0 42 -3,-1.2 -73,-2.1 -74,-0.1 2,-0.8 0.575 70.3 113.3 -91.5 -12.8 -8.8 -56.4 -19.8 77 80 A V E << +b 3 0A 10 -3,-0.9 -73,-0.2 -4,-0.6 3,-0.1 -0.488 32.8 164.7 -64.4 104.1 -7.9 -54.1 -16.9 78 81 A A E + 0 0 44 -75,-2.0 56,-0.8 -2,-0.8 2,-0.3 0.738 61.7 23.5 -92.0 -28.6 -8.7 -56.3 -13.9 79 82 A L E -bf 4 134A 10 -76,-1.3 -74,-2.5 54,-0.2 2,-0.4 -0.973 57.2-154.9-141.9 150.3 -6.9 -54.3 -11.2 80 83 A I E -bf 5 135A 0 54,-1.6 56,-3.0 -2,-0.3 2,-0.5 -0.977 13.8-159.0-129.5 120.0 -5.6 -50.8 -10.6 81 84 A G E -bf 6 136A 0 -76,-2.3 -74,-2.5 -2,-0.4 2,-0.5 -0.839 3.1-159.5-101.5 130.4 -2.6 -50.1 -8.2 82 85 A H E -bf 7 137A 3 54,-3.1 56,-3.3 -2,-0.5 2,-0.5 -0.933 11.1-142.6-111.3 124.2 -2.0 -46.7 -6.6 83 86 A R E - f 0 138A 10 -76,-2.6 -74,-0.4 -2,-0.5 2,-0.4 -0.737 21.6-160.6 -78.7 125.2 1.3 -45.7 -5.2 84 87 A I E - f 0 139A 2 54,-3.3 56,-2.2 -2,-0.5 3,-0.2 -0.903 13.1-150.3-110.5 139.9 0.7 -43.7 -2.0 85 88 A A S S+ 0 0 18 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.969 81.4 20.4 -71.3 -56.4 3.4 -41.3 -0.6 86 89 A H + 0 0 1 26,-0.2 -1,-0.2 54,-0.1 26,-0.1 -0.953 48.8 174.4-127.8 113.1 2.6 -41.4 3.2 87 90 A G >> - 0 0 0 -2,-0.5 4,-1.1 1,-0.3 3,-0.8 0.418 33.9-158.0 -91.3 -0.7 0.6 -44.2 4.8 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.3 2,-0.2 17,-0.0 -0.295 53.0 -44.8 58.8-138.1 1.3 -42.7 8.3 89 92 A E T 34 S+ 0 0 90 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.489 128.5 74.8-101.0 -8.0 1.0 -45.1 11.2 90 93 A L T <4 S+ 0 0 76 -3,-0.8 2,-0.6 14,-0.1 -2,-0.2 0.744 83.1 67.0 -81.2 -27.4 -2.3 -46.6 9.9 91 94 A F < + 0 0 9 -4,-1.1 54,-0.1 1,-0.1 -4,-0.1 -0.871 38.9 159.5-111.7 117.0 -1.0 -48.8 7.1 92 95 A T S S+ 0 0 98 -2,-0.6 2,-0.2 1,-0.1 53,-0.2 0.675 74.8 9.0-100.8 -26.1 1.2 -51.9 7.6 93 96 A Q S S- 0 0 120 50,-0.0 2,-0.2 45,-0.0 -1,-0.1 -0.816 95.2 -69.5-141.4 178.9 0.4 -53.6 4.3 94 97 A S - 0 0 9 -2,-0.2 2,-0.3 44,-0.1 44,-0.2 -0.559 52.1-162.1 -75.8 143.3 -1.3 -53.0 1.0 95 98 A V E -G 137 0A 30 42,-1.6 42,-2.8 -2,-0.2 2,-0.5 -0.896 26.5-106.1-128.1 153.5 -5.1 -52.7 1.1 96 99 A I E -G 136 0A 27 -2,-0.3 2,-0.3 40,-0.2 40,-0.3 -0.705 52.6-108.1 -73.9 124.8 -8.0 -52.9 -1.3 97 100 A I + 0 0 9 38,-3.4 38,-0.3 -2,-0.5 2,-0.3 -0.410 54.0 155.7 -65.7 119.6 -9.2 -49.3 -1.7 98 101 A T >> - 0 0 56 -2,-0.3 4,-2.0 1,-0.0 3,-0.5 -0.870 60.4 -90.7-132.4 168.0 -12.5 -48.7 0.1 99 102 A D H 3> S+ 0 0 114 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.856 125.9 58.0 -44.6 -43.3 -14.2 -45.5 1.4 100 103 A E H 3> S+ 0 0 122 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 105.4 48.1 -53.7 -51.8 -12.5 -46.2 4.8 101 104 A I H <> S+ 0 0 10 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.903 107.6 55.7 -58.9 -45.1 -9.1 -46.2 3.2 102 105 A I H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.893 110.5 45.4 -55.2 -44.1 -9.8 -42.9 1.4 103 106 A D H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.925 113.3 50.4 -63.1 -45.9 -10.7 -41.3 4.8 104 107 A N H X S+ 0 0 19 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.803 109.3 50.5 -64.7 -32.7 -7.6 -42.8 6.3 105 108 A I H X S+ 0 0 0 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.878 112.1 47.8 -70.8 -38.9 -5.4 -41.5 3.5 106 109 A R H < S+ 0 0 133 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.836 107.3 58.5 -66.3 -34.0 -6.9 -38.0 4.0 107 110 A R H < S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.870 113.2 35.8 -64.5 -40.8 -6.3 -38.4 7.8 108 111 A V H >< S+ 0 0 13 -4,-1.4 3,-2.2 1,-0.2 4,-0.5 0.572 91.0 100.1 -89.2 -11.0 -2.6 -38.8 7.4 109 112 A S G >< + 0 0 0 -4,-0.9 3,-1.4 1,-0.3 7,-0.3 0.796 66.6 69.2 -44.4 -43.5 -2.3 -36.4 4.5 110 113 A P G 3 S+ 0 0 89 0, 0.0 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138.1 2.3 -47.3 0.5 140 143 A D S S+ 0 0 43 -56,-2.2 33,-2.3 -2,-0.4 -55,-0.1 0.659 104.0 42.9 -66.5 -17.4 5.9 -46.1 0.4 141 144 A T S > S+ 0 0 0 -57,-0.2 3,-2.3 31,-0.1 4,-0.3 0.722 85.2 88.7-102.6 -27.8 5.9 -46.3 4.2 142 145 A S G > S+ 0 0 11 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.768 83.3 58.5 -49.8 -41.0 4.1 -49.6 5.1 143 146 A F G > S+ 0 0 16 -4,-0.4 72,-0.7 1,-0.3 3,-0.6 0.735 102.5 56.2 -61.5 -25.2 7.3 -51.8 5.0 144 147 A H G X S+ 0 0 0 -3,-2.3 3,-1.5 1,-0.2 -1,-0.3 0.436 77.9 92.0 -90.8 -1.4 8.9 -49.6 7.7 145 148 A Q G < S+ 0 0 33 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 0.527 70.5 74.8 -72.8 -5.0 6.2 -50.0 10.3 146 149 A T G < S+ 0 0 63 -3,-0.6 -1,-0.3 -4,-0.1 -2,-0.1 0.612 71.2 117.2 -79.6 -13.3 8.0 -53.0 11.7 147 150 A L < - 0 0 7 -3,-1.5 69,-0.1 22,-0.1 70,-0.1 -0.252 67.2-123.3 -55.2 137.5 10.5 -50.6 13.3 148 151 A A >> - 0 0 41 68,-0.4 3,-2.0 1,-0.1 4,-1.2 -0.451 27.1-105.3 -79.3 157.7 10.7 -50.6 17.1 149 152 A P H >> S+ 0 0 65 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.872 120.6 61.2 -53.3 -42.7 10.1 -47.3 19.1 150 153 A E H 34 S+ 0 0 174 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.754 109.8 43.8 -51.6 -27.6 13.9 -47.0 19.8 151 154 A A H <4 S+ 0 0 17 -3,-2.0 -1,-0.2 1,-0.1 67,-0.2 0.710 121.9 34.3 -93.6 -25.2 14.4 -46.9 16.0 152 155 A Y H << S+ 0 0 33 -4,-1.2 16,-3.0 -3,-0.5 2,-0.2 0.563 92.2 100.1-109.5 -10.5 11.6 -44.5 15.1 153 156 A L < - 0 0 59 -4,-2.7 2,-0.2 -5,-0.2 14,-0.1 -0.538 59.8-142.9 -78.6 141.3 11.4 -42.0 18.0 154 157 A Y - 0 0 61 12,-0.4 7,-0.1 -2,-0.2 -2,-0.1 -0.669 26.4-111.8 -95.9 158.4 13.1 -38.6 17.9 155 158 A G S S+ 0 0 91 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.535 85.0 113.9 -64.9 -5.3 14.8 -36.9 20.7 156 159 A L S S- 0 0 94 1,-0.2 5,-0.1 10,-0.1 -2,-0.1 -0.201 84.7 -72.5 -64.8 156.9 12.0 -34.4 20.7 157 160 A P >> - 0 0 69 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.210 44.2-116.5 -51.8 139.8 9.5 -34.1 23.6 158 161 A W H >> S+ 0 0 152 1,-0.3 4,-2.2 2,-0.2 3,-0.9 0.780 108.7 71.8 -47.2 -35.1 7.1 -37.1 23.9 159 162 A E H 3>>S+ 0 0 122 1,-0.3 4,-2.8 2,-0.2 5,-0.6 0.885 90.4 57.5 -52.1 -47.4 4.1 -34.7 23.2 160 163 A Y H <>>S+ 0 0 114 -3,-1.3 6,-2.1 1,-0.2 4,-0.8 0.819 111.6 42.4 -55.6 -37.2 5.0 -34.2 19.5 161 164 A F H + 0 0 32 -2,-0.2 4,-3.2 3,-0.1 5,-0.2 0.682 63.6 146.9 67.2 21.7 11.2 -46.3 -0.6 173 176 A G H > + 0 0 0 -33,-2.3 4,-3.4 1,-0.2 5,-0.2 0.883 64.6 51.9 -54.0 -48.0 9.4 -49.2 1.3 174 177 A T H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.926 114.4 43.2 -56.9 -49.6 8.1 -50.9 -1.9 175 178 A S H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.962 115.2 48.7 -59.5 -53.8 11.5 -50.9 -3.4 176 179 A H H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.876 114.2 47.3 -54.4 -41.7 13.2 -52.0 -0.2 177 180 A R H X S+ 0 0 59 -4,-3.4 4,-2.4 -5,-0.2 -1,-0.2 0.941 115.1 44.7 -63.6 -50.1 10.6 -54.7 0.2 178 181 A Y H X S+ 0 0 15 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.956 115.9 45.0 -60.2 -56.0 10.9 -55.9 -3.4 179 182 A V H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.909 113.3 50.8 -55.9 -49.3 14.8 -55.9 -3.5 180 183 A S H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.925 110.2 49.1 -57.1 -49.3 15.0 -57.6 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114.6 16.8 -68.2 4.8 191 194 A E T 3 S+ 0 0 85 -2,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.928 95.0 49.8 -49.6 -56.1 14.5 -65.2 5.1 192 195 A K T 3 S+ 0 0 72 1,-0.3 -1,-0.3 21,-0.1 2,-0.2 0.561 116.0 45.8 -66.6 -10.0 13.5 -65.8 8.8 193 196 A D S < S+ 0 0 79 -3,-1.3 -3,-0.4 20,-0.0 2,-0.3 -0.599 97.1 94.4-130.9 73.1 17.3 -66.1 9.6 194 197 A S - 0 0 0 -3,-0.5 18,-2.9 -2,-0.2 2,-0.3 -0.975 51.1-151.4-156.3 162.3 19.0 -63.3 7.8 195 198 A G E +H 211 0B 0 -2,-0.3 121,-2.8 16,-0.2 122,-1.3 -0.883 24.1 175.5-145.0 111.0 20.3 -59.7 8.0 196 199 A L E -Hi 210 317B 0 14,-2.9 14,-3.1 -2,-0.3 2,-0.5 -0.879 20.9-153.8-116.6 146.4 20.4 -57.5 4.9 197 200 A I E -Hi 209 318B 0 120,-3.0 122,-2.8 -2,-0.3 2,-0.5 -0.990 16.8-163.5-114.4 126.4 21.4 -53.9 4.2 198 201 A V E -Hi 208 319B 0 10,-2.7 10,-1.7 -2,-0.5 2,-0.7 -0.944 7.3-162.4-114.4 127.8 19.7 -52.4 1.1 199 202 A A E -Hi 207 320B 0 120,-3.3 122,-2.1 -2,-0.5 2,-0.9 -0.843 3.0-169.0-111.3 93.3 20.9 -49.2 -0.5 200 203 A H E +Hi 206 321B 12 6,-2.0 6,-2.2 -2,-0.7 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215B 0 -14,-3.1 -14,-2.9 -2,-0.6 2,-0.6 -0.897 6.4-176.4-111.1 104.8 16.2 -55.9 6.9 211 214 A R E > S-HJ 195 214B 98 3,-2.3 3,-2.3 -2,-0.7 -16,-0.2 -0.904 71.7 -22.6-102.2 121.5 16.4 -58.3 9.8 212 215 A N T 3 S- 0 0 52 -18,-2.9 -1,-0.2 -2,-0.6 -17,-0.1 0.786 128.9 -46.7 50.8 38.2 14.7 -61.7 9.4 213 216 A G T 3 S+ 0 0 10 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.216 120.5 100.5 93.4 -13.3 12.3 -60.4 6.7 214 217 A Q E < S-J 211 0B 108 -3,-2.3 -3,-2.3 -68,-0.1 2,-0.5 -0.804 75.7-116.1-109.8 148.3 11.4 -57.2 8.6 215 218 A S E +J 210 0B 0 -72,-0.7 -5,-0.2 -2,-0.3 3,-0.1 -0.690 36.4 167.8 -78.6 123.6 12.5 -53.6 8.3 216 219 A V E + 0 0 15 -7,-2.8 -68,-0.4 -2,-0.5 2,-0.3 0.599 64.1 10.7-115.4 -18.9 14.3 -52.6 11.6 217 220 A D E -J 209 0B 30 -8,-0.9 -8,-3.2 -70,-0.1 -1,-0.4 -0.955 62.0-172.9-159.8 145.7 15.9 -49.3 10.6 218 221 A T E -J 208 0B 1 -2,-0.3 -10,-0.2 -10,-0.2 -48,-0.1 -0.994 26.7-129.2-146.3 148.7 15.7 -46.9 7.7 219 222 A S S S+ 0 0 2 -12,-2.5 -1,-0.1 -2,-0.3 -11,-0.1 0.922 84.1 69.4 -63.8 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22.6 -36.7 0.7 230 233 A M - 0 0 0 3,-3.0 36,-2.3 -2,-0.3 37,-0.2 -0.388 40.1 -67.6-123.6-164.2 20.7 -37.0 -2.6 231 234 A G S S- 0 0 4 -28,-1.6 36,-2.4 34,-0.2 35,-0.3 0.963 127.4 -7.7 -54.6 -58.3 20.3 -35.3 -6.0 232 235 A T S S+ 0 0 45 -29,-0.4 32,-1.3 33,-0.2 2,-0.4 0.442 118.0 94.3-119.6 -7.5 18.8 -32.1 -4.7 233 236 A R - 0 0 52 -30,-0.3 -3,-3.0 31,-0.2 28,-0.2 -0.745 62.3-147.6 -95.8 137.8 18.3 -33.0 -1.0 234 237 A S - 0 0 21 26,-1.4 2,-0.3 -2,-0.4 -1,-0.1 0.856 30.0-166.7 -67.7 -41.0 20.9 -32.1 1.7 235 238 A G + 0 0 3 -10,-0.5 2,-0.4 25,-0.3 -7,-0.2 -0.667 58.5 27.9 88.7-142.4 20.2 -35.2 3.9 236 239 A D S S+ 0 0 47 -9,-3.0 2,-0.4 -2,-0.3 -10,-0.1 -0.394 77.1 172.0 -56.0 111.7 21.5 -35.3 7.4 237 240 A V - 0 0 73 -2,-0.4 2,-0.1 4,-0.0 -2,-0.1 -0.993 36.7-116.7-133.6 128.6 21.8 -31.6 8.5 238 241 A D > - 0 0 114 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 -0.408 18.1-147.8 -56.6 126.0 22.5 -30.1 11.9 239 242 A F H > S+ 0 0 162 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.875 98.6 58.4 -67.1 -38.3 19.5 -28.2 13.0 240 243 A G H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 107.0 48.4 -51.0 -51.8 21.8 -25.7 14.9 241 244 A A H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 111.4 50.4 -54.5 -43.7 23.4 -25.0 11.5 242 245 A M H X S+ 0 0 29 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.913 112.1 45.2 -65.1 -44.5 20.0 -24.6 9.9 243 246 A A H X S+ 0 0 29 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.752 109.7 57.4 -70.6 -25.7 18.8 -22.1 12.5 244 247 A W H X S+ 0 0 151 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.864 104.8 50.1 -70.8 -39.4 22.1 -20.3 12.3 245 248 A I H X S+ 0 0 59 -4,-1.7 4,-2.3 2,-0.2 6,-0.4 0.883 106.0 58.0 -64.4 -40.6 21.6 -19.7 8.6 246 249 A A H X S+ 0 0 26 -4,-1.6 4,-1.3 1,-0.2 5,-0.5 0.913 111.4 40.0 -54.6 -48.6 18.1 -18.4 9.3 247 250 A K H < S+ 0 0 172 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.1 51.7 -70.1 -35.9 19.5 -15.6 11.6 248 251 A E H < S+ 0 0 129 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.802 124.4 23.7 -75.6 -32.2 22.5 -14.8 9.4 249 252 A T H < S- 0 0 83 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.471 99.3-122.9-112.5 -6.6 20.6 -14.3 6.1 250 253 A G < + 0 0 67 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.2 0.731 55.7 158.3 69.3 24.0 17.1 -13.4 7.5 251 254 A Q - 0 0 64 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.1 -0.512 37.6-121.6 -80.4 147.2 15.5 -16.3 5.6 252 255 A T > - 0 0 70 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.358 27.1-104.2 -81.4 165.2 12.2 -17.8 6.6 253 256 A L H > S+ 0 0 137 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.824 124.4 51.6 -55.1 -35.8 11.5 -21.5 7.5 254 257 A S H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.861 105.4 55.3 -71.1 -38.8 9.9 -21.9 4.1 255 258 A D H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.952 109.9 44.9 -56.9 -53.3 12.9 -20.5 2.3 256 259 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.843 108.3 58.8 -61.4 -36.3 15.3 -23.0 4.0 257 260 A E H X S+ 0 0 117 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.882 106.9 47.1 -61.0 -41.0 12.8 -25.8 3.2 258 261 A R H X>S+ 0 0 52 -4,-1.8 4,-2.9 -3,-0.3 5,-0.6 0.864 110.8 53.9 -66.0 -37.6 13.0 -25.0 -0.5 259 262 A V H X>S+ 0 0 36 -4,-1.7 4,-1.4 1,-0.2 5,-0.9 0.916 109.5 44.6 -66.0 -47.0 16.8 -24.9 -0.3 260 263 A V H <5S+ 0 0 16 -4,-2.4 -26,-1.4 3,-0.2 -25,-0.3 0.689 121.5 41.8 -72.3 -18.8 17.3 -28.3 1.3 261 264 A N H <5S+ 0 0 56 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.906 132.5 10.5 -89.4 -51.7 14.8 -29.8 -1.2 262 265 A K H <5S+ 0 0 61 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.490 131.6 39.2-115.0 -8.8 15.5 -28.3 -4.6 263 266 A E T <>< + 0 0 22 -32,-1.3 4,-1.4 -5,-0.9 3,-0.6 0.093 69.9 54.9 -97.9-153.6 21.0 -28.7 -2.0 265 268 A G H 3> S- 0 0 4 2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.326 119.4 -16.1 69.4-141.5 22.5 -32.2 -2.3 266 269 A L H 3> S+ 0 0 1 -36,-2.3 4,-1.9 -35,-0.3 5,-0.4 0.894 144.3 51.1 -63.2 -42.5 24.7 -33.1 -5.3 267 270 A L H <> S+ 0 0 54 -36,-2.4 4,-1.8 -3,-0.6 5,-0.3 0.889 110.5 52.2 -57.4 -42.4 23.4 -30.0 -7.1 268 271 A G H < S+ 0 0 33 -4,-1.4 -2,-0.2 -37,-0.3 -1,-0.2 0.940 114.0 36.5 -61.9 -55.3 24.3 -28.0 -4.0 269 272 A I H < S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.937 124.1 39.9 -69.4 -48.3 27.9 -28.9 -3.4 270 273 A S H < S- 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 20,-0.2 0.871 86.4-150.6 -68.5 -38.2 28.9 -29.2 -7.1 271 274 A G S < S+ 0 0 48 -4,-1.8 -3,-0.1 -5,-0.4 -4,-0.1 0.814 79.3 76.5 65.6 32.1 27.0 -26.1 -8.2 272 275 A L S S- 0 0 88 1,-0.3 2,-0.3 -6,-0.3 -5,-0.1 0.570 96.0 -7.3-132.9 -66.5 26.7 -27.9 -11.6 273 276 A S - 0 0 21 -7,-0.3 -1,-0.3 1,-0.1 -3,-0.2 -0.978 31.4-149.6-144.5 152.9 24.2 -30.7 -11.8 274 277 A S S S+ 0 0 42 -2,-0.3 2,-0.5 -7,-0.1 -8,-0.2 0.585 80.6 95.6 -88.9 -17.1 21.8 -32.8 -9.7 275 278 A D > - 0 0 47 1,-0.1 4,-1.6 -9,-0.1 3,-0.3 -0.659 65.9-154.0 -81.6 124.1 22.4 -35.7 -12.2 276 279 A L H > S+ 0 0 14 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.852 91.8 59.6 -65.3 -39.4 25.1 -38.1 -11.1 277 280 A R H > S+ 0 0 181 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.838 107.5 47.1 -59.9 -36.9 26.1 -39.2 -14.6 278 281 A V H > S+ 0 0 67 -3,-0.3 4,-1.7 2,-0.2 3,-0.4 0.900 110.8 51.0 -69.2 -44.2 26.9 -35.6 -15.5 279 282 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.763 103.2 59.9 -67.3 -28.2 29.0 -35.1 -12.3 280 283 A E H X S+ 0 0 59 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.859 107.7 45.9 -63.9 -38.0 31.0 -38.3 -13.1 281 284 A K H X S+ 0 0 46 -4,-0.9 4,-1.7 -3,-0.4 -2,-0.2 0.854 107.8 56.6 -73.3 -38.0 32.1 -36.7 -16.4 282 285 A A H <>S+ 0 0 11 -4,-1.7 5,-1.7 2,-0.2 -2,-0.2 0.879 105.8 50.6 -62.1 -41.4 33.0 -33.4 -14.7 283 286 A W H ><5S+ 0 0 70 -4,-1.7 3,-2.4 3,-0.2 -1,-0.2 0.942 107.7 53.4 -58.2 -50.3 35.4 -35.2 -12.3 284 287 A H H 3<5S+ 0 0 170 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.856 109.0 50.3 -52.3 -38.1 37.0 -36.9 -15.3 285 288 A E T 3<5S- 0 0 161 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.167 130.7 -95.9 -89.5 16.4 37.5 -33.4 -16.7 286 289 A G T < 5 + 0 0 68 -3,-2.4 2,-0.7 1,-0.2 -3,-0.2 0.879 66.6 157.1 75.6 42.7 39.0 -32.2 -13.5 287 290 A H >< - 0 0 66 -5,-1.7 4,-1.6 1,-0.2 -1,-0.2 -0.893 21.6-169.2-100.5 112.3 36.1 -30.6 -11.7 288 291 A E H > S+ 0 0 59 -2,-0.7 4,-3.0 2,-0.2 5,-0.2 0.917 83.2 52.4 -68.3 -47.5 36.9 -30.5 -7.9 289 292 A R H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.773 111.8 48.0 -63.4 -28.1 33.4 -29.5 -6.6 290 293 A A H > S+ 0 0 0 2,-0.2 4,-1.6 -20,-0.2 -1,-0.2 0.849 112.1 49.8 -74.8 -37.6 31.9 -32.4 -8.6 291 294 A R H X S+ 0 0 100 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.883 112.5 47.3 -67.6 -40.4 34.5 -34.7 -7.2 292 295 A L H X S+ 0 0 81 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.952 108.2 55.1 -62.0 -51.4 33.8 -33.5 -3.6 293 296 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.834 113.4 42.4 -52.3 -37.9 30.1 -33.9 -4.2 294 297 A I H X S+ 0 0 0 -4,-1.6 4,-3.5 2,-0.2 5,-0.2 0.936 113.3 50.3 -75.3 -48.6 30.6 -37.5 -5.1 295 298 A K H X S+ 0 0 105 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.864 115.6 44.6 -55.5 -41.0 33.2 -38.3 -2.4 296 299 A T H X S+ 0 0 44 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.925 112.7 50.7 -67.2 -49.2 30.8 -36.8 0.2 297 300 A F H X S+ 0 0 1 -4,-1.9 4,-1.3 -5,-0.3 -2,-0.2 0.917 112.6 47.1 -53.8 -48.8 27.8 -38.6 -1.4 298 301 A V H X S+ 0 0 5 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.909 111.5 53.4 -56.2 -45.2 29.9 -41.9 -1.2 299 302 A H H X S+ 0 0 78 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.889 106.8 47.8 -62.8 -45.9 30.8 -41.0 2.4 300 303 A R H X S+ 0 0 78 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.786 112.5 51.1 -69.2 -27.9 27.3 -40.5 3.8 301 304 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.2 -2,-0.2 0.929 111.0 46.6 -70.6 -48.5 26.2 -43.8 2.2 302 305 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.869 112.8 51.7 -61.1 -38.2 29.0 -45.7 3.7 303 306 A R H X S+ 0 0 165 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.925 114.2 41.6 -63.8 -47.2 28.3 -44.1 7.1 304 307 A H H X S+ 0 0 30 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.809 111.9 54.6 -74.1 -31.5 24.6 -45.0 6.9 305 308 A I H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.970 114.8 40.2 -63.0 -52.4 25.2 -48.5 5.6 306 309 A A H >X S+ 0 0 39 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.928 115.5 53.3 -60.1 -46.6 27.6 -49.3 8.5 307 310 A G H >< S+ 0 0 41 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.876 108.7 48.3 -53.9 -43.9 25.2 -47.4 10.9 308 311 A H H >< S+ 0 0 7 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.722 96.9 71.3 -73.7 -22.1 22.2 -49.5 9.8 309 312 A A H X< S+ 0 0 18 -4,-1.3 3,-1.9 -3,-0.5 -1,-0.2 0.760 83.3 72.6 -64.4 -25.5 24.2 -52.8 10.2 310 313 A A T << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.831 88.0 60.8 -57.0 -35.9 24.0 -52.2 14.0 311 314 A S T < S+ 0 0 33 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.331 95.7 81.0 -79.1 8.6 20.3 -53.1 13.9 312 315 A L < - 0 0 17 -3,-1.9 3,-0.1 1,-0.1 -117,-0.1 -0.875 68.0-150.8-110.7 149.2 21.2 -56.6 12.6 313 316 A H S S+ 0 0 103 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.768 91.3 12.7 -80.8 -29.0 22.5 -59.5 14.6 314 317 A R S S- 0 0 91 -120,-0.1 2,-0.7 -3,-0.1 -1,-0.3 -0.992 71.9-134.4-148.9 143.6 24.4 -60.7 11.5 315 318 A L + 0 0 29 -2,-0.3 -119,-0.2 1,-0.2 55,-0.1 -0.860 35.4 154.9-107.8 102.3 25.4 -59.1 8.2 316 319 A D + 0 0 26 -121,-2.8 54,-1.8 -2,-0.7 2,-0.4 0.843 61.2 16.1 -93.8 -41.2 24.7 -61.4 5.2 317 320 A G E -ik 196 370B 0 -122,-1.3 -120,-3.0 52,-0.2 2,-0.5 -0.996 43.6-161.6-144.5 141.1 24.2 -59.0 2.3 318 321 A I E -ik 197 371B 0 52,-2.5 54,-2.0 -2,-0.4 2,-0.5 -0.990 27.3-166.0-113.2 121.1 24.7 -55.5 1.1 319 322 A I E -ik 198 372B 0 -122,-2.8 -120,-3.3 -2,-0.5 2,-0.4 -0.930 9.4-153.5-118.1 129.2 22.4 -54.8 -1.9 320 323 A F E +ik 199 373B 0 52,-2.6 54,-2.3 -2,-0.5 2,-0.3 -0.816 26.0 155.0-100.2 137.4 22.6 -51.9 -4.4 321 324 A T E > +i 200 0B 0 -122,-2.1 -120,-3.5 -2,-0.4 4,-0.7 -0.967 24.6 56.3-154.7 165.5 19.5 -50.7 -6.3 322 325 A G H > S- 0 0 4 -2,-0.3 4,-2.9 -122,-0.2 5,-0.4 -0.301 97.8 -48.4 97.1 175.7 18.0 -47.6 -8.0 323 326 A G H > S+ 0 0 47 1,-0.2 4,-0.7 2,-0.2 -121,-0.2 0.878 141.9 29.9 -49.2 -47.9 19.3 -45.4 -10.8 324 327 A I H > S+ 0 0 16 -123,-2.1 4,-2.9 -3,-0.2 3,-0.3 0.916 119.4 54.0 -80.3 -47.1 22.7 -44.9 -9.3 325 328 A G H < S+ 0 0 0 -124,-1.7 -2,-0.2 -4,-0.7 -3,-0.2 0.903 114.9 38.9 -54.0 -48.7 23.0 -48.3 -7.5 326 329 A E H < S+ 0 0 20 -4,-2.9 -1,-0.2 -125,-0.3 -2,-0.2 0.717 129.2 28.2 -75.9 -23.6 22.2 -50.4 -10.6 327 330 A N H < S+ 0 0 90 -4,-0.7 2,-0.9 -5,-0.4 -2,-0.2 0.721 92.4 87.2-117.2 -29.5 24.3 -48.3 -13.0 328 331 A S X - 0 0 5 -4,-2.9 4,-1.6 1,-0.2 5,-0.1 -0.705 41.3-179.5 -87.7 104.6 27.2 -46.5 -11.4 329 332 A V H > S+ 0 0 53 -2,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.879 83.5 54.6 -63.5 -40.2 30.3 -48.7 -11.3 330 333 A L H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.971 108.3 44.3 -57.4 -61.9 32.3 -45.8 -9.6 331 334 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 111.2 54.5 -57.7 -40.5 29.9 -45.2 -6.7 332 335 A R H X S+ 0 0 1 -4,-1.6 4,-1.8 -8,-0.2 -1,-0.2 0.918 113.9 41.5 -58.7 -45.1 29.5 -49.0 -6.0 333 336 A Q H X S+ 0 0 52 -4,-1.8 4,-2.8 -3,-0.3 5,-0.2 0.936 114.0 50.7 -69.5 -48.0 33.2 -49.5 -5.7 334 337 A L H X S+ 0 0 29 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.892 112.1 47.6 -58.6 -43.8 34.0 -46.3 -3.7 335 338 A V H < S+ 0 0 0 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.928 113.3 48.1 -61.2 -47.5 31.3 -47.1 -1.2 336 339 A I H >< S+ 0 0 2 -4,-1.8 3,-1.2 -5,-0.2 8,-0.2 0.883 109.5 51.6 -63.9 -41.1 32.5 -50.7 -0.8 337 340 A E H >< S+ 0 0 118 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.830 105.8 56.6 -63.4 -33.1 36.2 -49.6 -0.4 338 341 A H T 3< S+ 0 0 91 -4,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.578 105.4 53.6 -71.6 -12.3 34.9 -47.2 2.3 339 342 A L T X + 0 0 4 -3,-1.2 3,-1.5 -4,-0.3 5,-0.5 0.019 66.9 120.6-112.4 26.1 33.5 -50.3 4.0 340 343 A G G X + 0 0 43 -3,-1.2 3,-1.9 1,-0.3 -1,-0.1 0.779 66.3 69.6 -58.5 -28.0 36.7 -52.3 4.1 341 344 A V G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.834 91.0 59.6 -58.6 -34.0 36.4 -52.4 7.9 342 345 A L G < S- 0 0 53 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.327 121.9-108.8 -79.6 7.0 33.4 -54.7 7.4 343 346 A G < + 0 0 22 -3,-1.9 25,-2.8 1,-0.2 26,-0.5 0.908 61.0 160.6 69.4 46.9 35.7 -57.2 5.7 344 347 A L - 0 0 15 -5,-0.5 2,-0.4 -8,-0.2 -1,-0.2 -0.876 22.4-169.8-103.2 127.0 34.4 -56.8 2.1 345 348 A T - 0 0 62 -2,-0.5 19,-3.2 24,-0.2 2,-0.3 -0.977 18.1-142.6-111.9 132.2 36.4 -57.8 -0.9 346 349 A L B -M 363 0C 33 -2,-0.4 2,-0.8 17,-0.3 17,-0.3 -0.705 8.0-140.8 -98.3 139.1 35.1 -56.7 -4.3 347 350 A D > - 0 0 57 15,-3.0 4,-1.9 -2,-0.3 3,-0.2 -0.871 16.5-170.9 -94.9 105.7 35.1 -58.6 -7.6 348 351 A V H > S+ 0 0 76 -2,-0.8 4,-1.0 1,-0.2 -1,-0.1 0.677 82.2 62.0 -77.6 -18.1 35.8 -55.8 -10.1 349 352 A E H > S+ 0 0 153 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.931 112.2 38.4 -63.6 -45.9 35.1 -58.1 -13.1 350 353 A M H 4 S+ 0 0 72 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.777 113.1 55.9 -76.4 -30.2 31.5 -58.4 -11.8 351 354 A N H < S+ 0 0 0 -4,-1.9 -1,-0.2 11,-0.3 -2,-0.2 0.738 102.9 57.2 -73.7 -23.0 31.3 -54.8 -10.7 352 355 A K H < S+ 0 0 54 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.785 81.8 105.6 -76.6 -29.4 32.2 -53.6 -14.3 353 356 A Q S < S- 0 0 64 -4,-0.7 7,-0.0 -3,-0.2 -3,-0.0 -0.296 73.4-120.1 -59.4 129.2 29.2 -55.5 -15.9 354 357 A P > - 0 0 73 0, 0.0 3,-2.0 0, 0.0 -27,-0.1 -0.064 32.1 -91.8 -66.7 170.9 26.4 -53.2 -17.0 355 358 A N G > S+ 0 0 41 1,-0.3 3,-2.0 2,-0.2 -28,-0.1 0.618 114.5 80.9 -63.7 -14.7 22.8 -53.3 -15.7 356 359 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.767 80.4 67.9 -60.0 -26.4 21.8 -55.7 -18.6 357 360 A H G < S- 0 0 100 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.420 90.5-169.1 -75.3 1.4 23.3 -58.5 -16.4 358 361 A G < + 0 0 20 -3,-2.0 2,-0.7 -4,-0.1 -1,-0.2 -0.152 55.7 26.1 55.2-127.0 20.4 -57.9 -14.0 359 362 A E S S+ 0 0 62 -3,-0.1 2,-0.4 15,-0.1 15,-0.2 -0.621 84.5 162.2 -76.9 110.7 20.6 -59.6 -10.6 360 363 A R E -L 373 0B 10 13,-2.3 13,-3.3 -2,-0.7 2,-0.3 -0.988 41.6-130.6-141.9 135.9 24.3 -60.0 -10.0 361 364 A I E +L 372 0B 63 -2,-0.4 11,-0.3 11,-0.3 -42,-0.0 -0.686 21.9 179.0 -78.5 135.8 26.7 -60.7 -7.2 362 365 A I + 0 0 0 9,-2.6 -15,-3.0 -2,-0.3 -11,-0.3 0.418 46.3 99.7-118.8 -1.5 29.7 -58.3 -7.2 363 366 A S B -M 346 0C 15 8,-1.4 -17,-0.3 -17,-0.3 2,-0.1 -0.529 68.8-120.7 -86.7 152.6 31.7 -59.4 -4.1 364 367 A A > - 0 0 25 -19,-3.2 3,-0.6 -2,-0.2 -19,-0.2 -0.300 28.6-105.6 -81.0 173.1 34.8 -61.7 -4.2 365 368 A N T 3 S+ 0 0 166 1,-0.2 -1,-0.1 -19,-0.1 -2,-0.0 0.839 115.2 56.9 -73.6 -36.8 35.0 -65.1 -2.4 366 369 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.593 84.2 117.6 -68.1 -8.2 37.3 -64.1 0.5 367 370 A S < - 0 0 18 -3,-0.6 -23,-0.2 -22,-0.2 -24,-0.1 -0.364 59.6-151.9 -65.7 133.5 34.6 -61.4 1.4 368 371 A Q S S+ 0 0 150 -25,-2.8 2,-0.4 1,-0.2 -24,-0.2 0.732 85.8 43.7 -75.4 -24.3 32.9 -61.8 4.8 369 372 A V S S- 0 0 8 -26,-0.5 2,-0.3 -24,-0.0 -24,-0.2 -0.989 86.7-123.8-127.4 131.5 29.8 -60.1 3.4 370 373 A I E -k 317 0B 58 -54,-1.8 -52,-2.5 -2,-0.4 2,-0.4 -0.538 22.6-159.5 -73.3 128.9 28.1 -60.7 0.0 371 374 A C E +k 318 0B 1 -2,-0.3 -9,-2.6 -54,-0.2 -8,-1.4 -0.911 19.2 164.5-107.3 140.3 27.6 -57.7 -2.2 372 375 A A E -kL 319 361B 0 -54,-2.0 -52,-2.6 -2,-0.4 2,-0.5 -0.992 33.9-132.5-152.0 154.7 25.1 -57.7 -5.0 373 376 A V E +kL 320 360B 0 -13,-3.3 -13,-2.3 -2,-0.3 -52,-0.2 -0.948 24.1 179.5-107.2 130.1 23.1 -55.5 -7.5 374 377 A I - 0 0 0 -54,-2.3 -52,-0.2 -2,-0.5 -15,-0.1 -0.923 26.6-130.6-133.7 108.8 19.4 -56.1 -7.7 375 378 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.361 27.0-127.7 -58.7 126.3 17.4 -54.0 -10.1 376 379 A T - 0 0 27 -2,-0.1 2,-0.3 1,-0.0 -201,-0.1 -0.508 22.3-171.1 -76.4 144.8 14.3 -52.6 -8.3 377 380 A N > + 0 0 52 -2,-0.2 4,-1.6 -202,-0.2 5,-0.1 -0.735 13.0 168.2-138.3 86.2 10.9 -53.1 -9.9 378 381 A E H > S+ 0 0 57 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.847 80.2 54.8 -70.7 -34.9 8.3 -51.1 -8.0 379 382 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 108.2 49.7 -63.3 -40.5 5.6 -51.6 -10.7 380 383 A K H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.858 112.1 48.0 -65.8 -37.7 6.1 -55.4 -10.4 381 384 A M H X S+ 0 0 14 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.880 111.4 49.3 -71.6 -39.6 5.8 -55.3 -6.6 382 385 A I H X S+ 0 0 10 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.857 111.6 51.5 -65.3 -35.6 2.6 -53.1 -6.9 383 386 A A H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.932 108.3 50.1 -64.3 -47.6 1.3 -55.6 -9.4 384 387 A L H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.871 109.9 49.6 -62.4 -41.0 2.0 -58.6 -7.1 385 388 A D H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.900 113.7 48.2 -61.6 -40.6 0.2 -57.0 -4.1 386 389 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.887 110.4 50.0 -67.6 -42.5 -2.7 -56.3 -6.5 387 390 A I H X S+ 0 0 40 -4,-2.8 4,-1.1 2,-0.2 3,-0.4 0.957 112.0 47.7 -60.5 -51.9 -2.8 -59.8 -7.8 388 391 A H H >X S+ 0 0 123 -4,-2.4 3,-0.9 1,-0.3 4,-0.6 0.925 114.7 45.5 -53.8 -50.0 -2.8 -61.3 -4.3 389 392 A L H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.688 104.2 65.8 -68.9 -18.6 -5.6 -58.9 -3.2 390 393 A G H 3< S+ 0 0 19 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.788 100.1 49.5 -70.7 -30.0 -7.4 -59.7 -6.5 391 394 A N H << S+ 0 0 129 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.637 97.7 89.1 -82.2 -17.5 -7.9 -63.3 -5.3 392 395 A V S < S- 0 0 55 -4,-0.6 2,-0.5 -5,-0.2 -3,-0.0 -0.365 75.5-133.0 -72.8 156.5 -9.2 -62.1 -1.9 393 396 A K 0 0 176 -2,-0.1 -3,-0.1 1,-0.0 -2,-0.1 -0.969 360.0 360.0-117.3 117.1 -12.9 -61.4 -1.5 394 397 A A 0 0 107 -2,-0.5 -2,-0.0 -5,-0.1 -1,-0.0 -0.400 360.0 360.0-118.0 360.0 -13.8 -58.0 0.2