==== 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 4FWM . 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) . 17831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 10.7 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 . 1 0.3 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 . 31 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 1 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 1 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 . 1 2 1 1 0 1 2 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 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 4 A F 0 0 103 0, 0.0 2,-0.0 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 90.7 52.0 35.6 20.3 2 5 A P - 0 0 61 0, 0.0 19,-1.7 0, 0.0 20,-0.5 -0.327 360.0-148.3 -71.7 157.7 49.2 35.3 17.6 3 6 A V E -Ab 20 77A 4 73,-2.8 75,-2.0 17,-0.2 76,-1.5 -0.870 9.7-133.4-129.2 160.2 47.6 31.9 16.7 4 7 A V E -Ab 19 79A 0 15,-2.7 15,-2.2 -2,-0.3 2,-0.5 -0.959 15.2-148.8-112.7 126.8 46.1 30.0 13.8 5 8 A L E -Ab 18 80A 14 74,-2.7 76,-2.8 -2,-0.5 2,-0.5 -0.856 14.1-157.9 -93.0 125.9 42.9 28.1 14.2 6 9 A V E -Ab 17 81A 7 11,-3.0 11,-1.7 -2,-0.5 2,-0.4 -0.924 7.4-167.6-111.4 124.8 42.7 25.0 11.9 7 10 A I E +Ab 16 82A 16 74,-3.3 76,-2.8 -2,-0.5 2,-0.4 -0.929 13.8 178.3-117.5 128.7 39.3 23.5 11.0 8 11 A N E -Ab 15 83A 60 7,-3.0 7,-2.9 -2,-0.4 2,-0.9 -0.918 13.2-164.2-126.2 104.8 38.6 20.2 9.3 9 12 A C E -A 14 0A 3 74,-0.5 5,-0.2 -2,-0.4 109,-0.1 -0.780 10.6-176.9 -95.9 101.6 34.9 19.6 8.9 10 13 A G - 0 0 21 3,-1.7 -2,-0.0 -2,-0.9 105,-0.0 -0.244 42.4-101.7 -80.6 177.5 34.1 15.9 8.1 11 14 A S S S+ 0 0 78 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 0.874 122.6 26.1 -65.7 -38.0 30.7 14.5 7.4 12 15 A S S S+ 0 0 67 22,-0.1 23,-3.4 1,-0.0 2,-0.2 0.620 128.9 13.0-102.8 -17.9 30.4 13.1 11.0 13 16 A S - 0 0 17 21,-0.2 -3,-1.7 20,-0.2 2,-0.4 -0.874 59.0-121.2-149.9 176.3 32.7 15.5 13.0 14 17 A I E -A 9 0A 6 18,-0.4 18,-1.8 -2,-0.2 2,-0.3 -0.926 25.4-165.3-130.2 107.7 34.7 18.7 13.2 15 18 A K E +AC 8 31A 68 -7,-2.9 -7,-3.0 -2,-0.4 2,-0.3 -0.708 14.7 176.5 -89.4 142.8 38.5 18.4 13.9 16 19 A F E -AC 7 30A 7 14,-1.5 14,-1.6 -2,-0.3 2,-0.3 -0.998 16.3-170.5-147.8 151.6 40.4 21.5 15.1 17 20 A S E -AC 6 29A 15 -11,-1.7 -11,-3.0 -2,-0.3 2,-0.6 -0.993 15.1-148.1-137.8 146.6 43.9 22.6 16.2 18 21 A V E -AC 5 28A 4 10,-3.3 9,-3.7 -2,-0.3 10,-1.4 -0.949 24.9-175.5-113.0 108.8 45.3 25.8 17.7 19 22 A L E -AC 4 26A 2 -15,-2.2 -15,-2.7 -2,-0.6 2,-0.6 -0.837 27.1-119.5-105.5 142.9 48.9 26.3 16.5 20 23 A D E >>> -AC 3 25A 19 5,-2.4 4,-3.0 -2,-0.4 3,-0.6 -0.715 14.2-145.5 -82.7 119.4 51.2 29.1 17.7 21 24 A V T 345S+ 0 0 38 -19,-1.7 -1,-0.1 -2,-0.6 -18,-0.1 0.837 95.0 60.2 -50.0 -39.6 52.3 31.3 14.7 22 25 A A T 345S+ 0 0 79 -20,-0.5 -1,-0.2 1,-0.2 -19,-0.1 0.897 127.1 7.3 -58.4 -47.6 55.7 31.8 16.4 23 26 A T T <45S- 0 0 100 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.468 91.9-121.2-118.8 -7.0 56.8 28.2 16.6 24 27 A C T <5 + 0 0 26 -4,-3.0 2,-0.4 1,-0.2 -3,-0.2 0.857 63.8 145.9 60.0 40.2 54.2 26.3 14.6 25 28 A D E < -C 20 0A 45 -5,-0.6 -5,-2.4 355,-0.0 2,-0.4 -0.871 55.5-108.7-112.4 140.8 53.4 24.2 17.7 26 29 A V E +C 19 0A 78 -2,-0.4 -7,-0.3 -7,-0.2 3,-0.1 -0.509 35.5 170.4 -69.9 120.3 50.0 22.8 18.8 27 30 A L E S+ 0 0 97 -9,-3.7 2,-0.3 -2,-0.4 -8,-0.2 0.705 71.4 8.4 -96.1 -29.4 48.6 24.6 21.9 28 31 A M E +C 18 0A 4 -10,-1.4 -10,-3.3 2,-0.0 -1,-0.4 -0.992 62.5 177.9-154.1 144.9 45.2 23.1 21.7 29 32 A A E +C 17 0A 30 -2,-0.3 16,-1.1 -12,-0.2 2,-0.3 -0.935 12.9 143.2-142.6 165.4 43.4 20.3 19.8 30 33 A G E -C 16 0A 15 -14,-1.6 -14,-1.5 -2,-0.3 2,-0.3 -0.982 29.5-126.3-178.5-172.3 39.9 18.7 19.8 31 34 A I E -C 15 0A 44 12,-0.4 12,-1.9 -2,-0.3 2,-0.7 -0.958 8.4-149.9-159.8 137.4 37.0 17.1 18.0 32 35 A A - 0 0 2 -18,-1.8 -18,-0.4 -2,-0.3 10,-0.2 -0.747 38.4-171.5-108.0 80.7 33.2 17.6 17.7 33 36 A D + 0 0 63 -2,-0.7 8,-1.6 8,-0.4 -20,-0.2 -0.249 55.0 26.3 -79.2 159.2 32.2 14.0 17.1 34 37 A G S > S- 0 0 17 -22,-0.2 3,-0.7 6,-0.2 -21,-0.2 0.955 88.3-146.7 56.0 59.6 28.8 12.6 16.1 35 38 A M T 3 - 0 0 9 -23,-3.4 -1,-0.2 1,-0.2 21,-0.1 -0.332 60.3 -17.1 -74.0 133.6 27.7 15.8 14.5 36 39 A N T 3 S+ 0 0 92 19,-1.4 -1,-0.2 1,-0.2 4,-0.1 0.416 100.1 126.9 52.9 5.6 24.0 17.0 14.6 37 40 A T S < S- 0 0 76 -3,-0.7 17,-0.5 2,-0.3 -1,-0.2 -0.284 86.6 -84.3 -73.1 170.2 22.8 13.4 15.5 38 41 A E S S+ 0 0 99 1,-0.2 2,-0.5 15,-0.1 16,-0.1 0.851 125.8 42.6 -43.9 -42.4 20.6 12.8 18.5 39 42 A N S S+ 0 0 71 14,-0.2 2,-0.4 15,-0.1 -2,-0.3 -0.952 73.5 169.5-112.6 117.3 23.8 12.8 20.6 40 43 A A + 0 0 6 -2,-0.5 13,-2.9 -4,-0.1 12,-1.7 -0.973 6.6 159.2-126.5 143.4 26.5 15.4 19.8 41 44 A F E -F 51 0B 84 -8,-1.6 -8,-0.4 -2,-0.4 2,-0.4 -0.980 26.3-141.9-156.8 160.6 29.7 16.1 21.9 42 45 A L E -F 50 0B 17 8,-0.8 8,-1.6 -2,-0.3 2,-0.5 -0.998 6.4-164.8-132.9 140.7 33.2 17.6 21.9 43 46 A S E -F 49 0B 22 -12,-1.9 2,-0.6 -2,-0.4 3,-0.4 -0.931 9.0-156.3-127.8 108.2 36.4 16.5 23.6 44 47 A I S > S- 0 0 12 4,-0.5 3,-1.8 -2,-0.5 4,-0.4 -0.739 82.7 -17.8 -88.2 118.2 39.3 19.0 23.9 45 48 A N T 3 S- 0 0 86 -16,-1.1 -1,-0.2 -2,-0.6 -15,-0.1 0.621 110.6 -83.4 61.0 15.5 42.6 17.2 24.3 46 49 A G T 3 S+ 0 0 62 -3,-0.4 -1,-0.3 -17,-0.1 -2,-0.1 0.792 108.2 116.6 58.2 32.0 40.6 14.1 25.3 47 50 A D S < S+ 0 0 102 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.699 79.0 12.4-104.3 -25.5 40.4 15.7 28.8 48 51 A K - 0 0 58 -4,-0.4 2,-1.7 2,-0.0 -4,-0.5 -0.647 66.6-148.5-156.8 92.4 36.7 16.4 29.4 49 52 A P E -F 43 0B 102 0, 0.0 -6,-0.2 0, 0.0 2,-0.0 -0.455 28.6-169.0 -66.0 86.7 34.1 14.9 27.0 50 53 A I E -F 42 0B 49 -2,-1.7 -8,-0.8 -8,-1.6 2,-0.5 -0.188 17.6-115.6 -71.8 168.1 31.5 17.6 27.1 51 54 A N E +F 41 0B 71 -10,-0.2 -10,-0.3 1,-0.2 -1,-0.1 -0.934 29.3 174.0-119.2 117.2 28.0 17.3 25.7 52 55 A L - 0 0 40 -12,-1.7 -11,-0.2 -2,-0.5 -1,-0.2 0.899 32.5-151.7 -78.8 -46.4 26.6 19.4 22.8 53 56 A A - 0 0 48 -13,-2.9 -14,-0.2 1,-0.1 -15,-0.1 0.981 66.0 -23.8 69.7 86.3 23.3 17.4 22.6 54 57 A H S S+ 0 0 62 -17,-0.5 2,-0.1 1,-0.2 -1,-0.1 0.570 95.0 150.1 63.1 14.5 21.8 17.4 19.0 55 58 A S - 0 0 44 1,-0.1 -19,-1.4 -15,-0.1 -1,-0.2 -0.463 36.1-133.0 -79.3 150.8 23.6 20.7 18.1 56 59 A N > - 0 0 83 -21,-0.1 4,-1.8 -2,-0.1 5,-0.1 -0.026 35.4 -78.1 -91.2-166.9 24.7 21.4 14.4 57 60 A Y H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.870 127.1 50.8 -61.5 -42.2 27.8 22.6 12.7 58 61 A E H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.901 114.1 42.7 -64.9 -44.5 27.2 26.3 13.6 59 62 A D H > S+ 0 0 36 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.782 110.5 57.8 -73.8 -29.6 26.7 25.6 17.3 60 63 A A H X S+ 0 0 9 -4,-1.8 4,-1.7 2,-0.2 3,-0.2 0.917 108.4 44.0 -66.7 -46.6 29.6 23.1 17.4 61 64 A L H X S+ 0 0 22 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.749 110.4 58.1 -69.1 -25.2 32.1 25.7 16.2 62 65 A K H X S+ 0 0 32 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.788 104.9 50.2 -71.1 -30.9 30.4 28.2 18.6 63 66 A A H X S+ 0 0 32 -4,-1.2 4,-1.6 -3,-0.2 -2,-0.2 0.872 109.7 49.2 -72.8 -40.8 31.3 25.7 21.5 64 67 A I H X S+ 0 0 15 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.818 108.8 55.1 -64.1 -33.5 34.9 25.6 20.3 65 68 A A H X S+ 0 0 17 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.848 104.2 53.5 -67.7 -37.5 34.9 29.4 20.2 66 69 A F H X S+ 0 0 148 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.904 109.9 46.8 -60.6 -45.5 33.7 29.4 23.9 67 70 A E H X S+ 0 0 75 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.724 106.4 58.2 -74.0 -24.0 36.6 27.3 25.0 68 71 A L H <>S+ 0 0 9 -4,-1.2 5,-2.8 2,-0.2 6,-0.6 0.829 112.9 40.9 -67.2 -34.6 39.0 29.4 23.0 69 72 A E H ><5S+ 0 0 120 -4,-1.2 3,-1.8 3,-0.2 -2,-0.2 0.811 106.9 61.4 -82.3 -35.4 37.8 32.3 25.1 70 73 A K H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 109.3 44.4 -61.6 -24.8 37.8 30.3 28.3 71 74 A R T 3<5S- 0 0 108 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.113 116.8-118.7-106.3 17.6 41.5 29.9 27.7 72 75 A D T < 5S+ 0 0 152 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.775 84.4 109.6 53.2 38.3 41.9 33.6 26.9 73 76 A L >>< + 0 0 27 -5,-2.8 3,-1.5 -6,-0.1 4,-0.6 0.356 40.8 95.9-121.7 4.1 43.2 33.1 23.3 74 77 A T G >4 S+ 0 0 45 -6,-0.6 3,-1.1 1,-0.3 -5,-0.1 0.914 86.8 51.7 -58.5 -44.0 40.2 34.2 21.2 75 78 A D G 34 S+ 0 0 172 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.377 105.5 58.9 -77.0 6.4 41.7 37.7 20.8 76 79 A S G <4 S+ 0 0 36 -3,-1.5 -73,-2.8 -74,-0.1 2,-1.1 0.559 71.3 111.7-108.3 -15.5 44.9 36.0 19.6 77 80 A V E << +b 3 0A 11 -3,-1.1 -73,-0.2 -4,-0.6 3,-0.1 -0.469 32.6 164.5 -64.9 95.3 43.4 34.1 16.6 78 81 A A E + 0 0 47 -75,-2.0 56,-0.7 -2,-1.1 2,-0.3 0.767 62.4 23.1 -83.6 -28.4 45.1 36.0 13.7 79 82 A L E -bd 4 134A 12 -76,-1.5 -74,-2.7 54,-0.1 2,-0.4 -0.971 58.0-153.4-141.4 151.3 44.2 33.4 11.0 80 83 A I E -bd 5 135A 0 54,-1.5 56,-3.3 -2,-0.3 2,-0.5 -0.979 12.9-160.8-127.6 120.2 41.8 30.5 10.3 81 84 A G E -bd 6 136A 0 -76,-2.8 -74,-3.3 -2,-0.4 2,-0.5 -0.875 3.5-159.3-101.9 126.6 42.7 27.6 8.0 82 85 A H E -bd 7 137A 2 54,-3.2 56,-3.3 -2,-0.5 2,-0.5 -0.917 11.5-141.8-106.4 123.5 40.0 25.5 6.4 83 86 A R E -bd 8 138A 12 -76,-2.8 -74,-0.5 -2,-0.5 2,-0.5 -0.727 22.0-161.5 -78.4 123.1 40.9 22.0 5.2 84 87 A I E - d 0 139A 0 54,-3.4 56,-2.6 -2,-0.5 57,-0.2 -0.951 12.5-153.4-114.2 129.7 38.9 21.5 2.0 85 88 A A S S+ 0 0 26 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.953 78.5 21.7 -63.2 -56.0 38.3 18.0 0.6 86 89 A H + 0 0 2 26,-0.1 -1,-0.2 1,-0.1 26,-0.1 -0.931 48.4 173.4-130.6 110.8 37.9 18.6 -3.2 87 90 A G >> - 0 0 0 -2,-0.5 4,-1.0 1,-0.3 3,-0.7 0.535 30.7-160.7 -89.0 -8.1 39.2 21.7 -5.1 88 91 A G T 34 - 0 0 0 1,-0.2 -1,-0.3 2,-0.2 17,-0.0 -0.341 54.3 -43.7 62.2-139.7 38.2 20.3 -8.5 89 92 A E T 34 S+ 0 0 83 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.619 129.6 70.5 -96.6 -16.6 40.0 21.9 -11.4 90 93 A L T <4 S+ 0 0 76 -3,-0.7 2,-0.7 14,-0.1 -2,-0.2 0.721 86.9 66.6 -78.5 -24.9 39.7 25.5 -10.2 91 94 A F < + 0 0 10 -4,-1.0 -1,-0.1 1,-0.1 -4,-0.1 -0.863 41.1 157.7-112.7 109.7 42.1 25.4 -7.3 92 95 A T S S+ 0 0 93 -2,-0.7 2,-0.3 52,-0.1 53,-0.2 0.627 72.6 12.4-100.7 -18.2 45.8 25.0 -7.9 93 96 A Q S S- 0 0 133 52,-0.0 2,-0.2 50,-0.0 49,-0.1 -0.856 94.3 -71.1-145.2 178.4 47.0 26.5 -4.6 94 97 A S - 0 0 11 -2,-0.3 2,-0.3 44,-0.1 44,-0.2 -0.587 53.5-160.6 -78.2 141.4 45.8 27.7 -1.2 95 98 A V E -E 137 0A 28 42,-2.0 42,-2.8 -2,-0.2 2,-0.5 -0.823 25.6-111.2-124.9 157.7 43.7 30.8 -1.2 96 99 A I E -E 136 0A 29 -2,-0.3 40,-0.3 40,-0.2 2,-0.2 -0.789 52.3-110.0 -80.0 126.9 42.4 33.7 1.0 97 100 A I + 0 0 9 38,-3.5 38,-0.3 -2,-0.5 2,-0.3 -0.407 50.2 157.8 -69.3 127.5 38.7 33.1 1.3 98 101 A T > - 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0 0 67 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.386 46.4-121.9 -69.0 144.3 22.5 -5.4 -5.2 252 255 A T > - 0 0 75 -3,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.198 27.0-102.5 -76.9 172.2 22.2 -1.9 -6.7 253 256 A L H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.789 125.2 55.9 -64.9 -29.7 25.1 0.5 -7.5 254 257 A S H > S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.894 105.1 51.7 -67.3 -42.6 24.2 2.3 -4.3 255 258 A D H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.903 111.7 45.7 -59.1 -45.7 24.6 -0.9 -2.3 256 259 A L H X S+ 0 0 19 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.808 104.1 62.7 -70.8 -31.7 28.1 -1.6 -3.8 257 260 A E H X S+ 0 0 62 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.814 107.7 44.8 -61.7 -32.0 29.1 2.1 -3.2 258 261 A R H X>S+ 0 0 48 -4,-1.1 4,-3.1 -3,-0.4 5,-0.5 0.866 113.9 49.3 -75.1 -40.6 28.6 1.3 0.5 259 262 A V H X>S+ 0 0 35 -4,-1.6 4,-1.7 3,-0.2 5,-1.3 0.941 113.3 44.7 -66.0 -50.5 30.5 -2.0 0.3 260 263 A V H <5S+ 0 0 21 -4,-3.1 -26,-1.3 3,-0.2 4,-0.2 0.904 123.5 37.3 -58.2 -44.1 33.5 -0.6 -1.6 261 264 A N H <5S+ 0 0 67 -4,-1.1 -2,-0.2 -5,-0.3 -29,-0.2 0.892 133.9 14.3 -78.5 -43.5 33.7 2.4 0.7 262 265 A K H <5S+ 0 0 55 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.525 128.8 37.0-119.5 -9.9 32.8 1.0 4.2 263 266 A E T <>< + 0 0 23 -32,-1.5 4,-1.5 -5,-1.3 3,-0.6 0.267 68.4 55.9 -90.6-148.9 35.9 -3.7 2.0 265 268 A G H 3> S- 0 0 4 2,-0.2 4,-2.2 1,-0.2 -34,-0.2 -0.226 119.2 -15.5 64.3-144.1 39.7 -3.4 2.3 266 269 A L H 3> S+ 0 0 2 -36,-2.4 4,-1.9 -35,-0.4 5,-0.4 0.888 143.7 51.0 -59.1 -42.9 41.5 -4.8 5.3 267 270 A L H <> S+ 0 0 56 -36,-2.4 4,-1.4 -3,-0.6 -2,-0.2 0.849 110.2 52.6 -60.8 -36.7 38.1 -5.1 7.1 268 271 A G H < S+ 0 0 33 -4,-1.5 -2,-0.2 -37,-0.3 -1,-0.2 0.944 114.0 36.5 -66.7 -53.2 36.8 -7.0 4.0 269 272 A I H < S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.945 124.8 38.3 -70.4 -50.5 39.4 -9.7 3.6 270 273 A S H < S- 0 0 3 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.878 85.9-150.1 -67.2 -39.7 40.1 -10.4 7.3 271 274 A G S < S+ 0 0 52 -4,-1.4 -3,-0.1 -5,-0.4 -4,-0.1 0.807 79.1 80.0 66.0 32.3 36.5 -10.0 8.4 272 275 A L S S- 0 0 83 -6,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.617 92.2 -7.5-131.2 -64.4 38.0 -8.9 11.7 273 276 A S - 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0 0 62 -5,-0.9 4,-1.6 1,-0.2 -1,-0.2 -0.929 23.6-170.0-106.9 113.5 45.3 -16.2 11.7 288 291 A E H > S+ 0 0 94 -2,-0.6 4,-3.4 1,-0.2 5,-0.2 0.898 80.7 58.0 -74.2 -42.3 45.6 -16.6 8.0 289 292 A R H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.768 110.7 45.9 -60.7 -27.1 42.9 -14.2 6.8 290 293 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.890 112.5 49.6 -77.8 -43.8 44.6 -11.4 8.6 291 294 A R H X S+ 0 0 81 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.883 112.8 48.9 -57.7 -42.4 48.0 -12.5 7.2 292 295 A L H X S+ 0 0 81 -4,-3.4 4,-2.8 2,-0.2 5,-0.2 0.942 109.3 50.7 -61.9 -51.4 46.4 -12.5 3.8 293 296 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.861 115.1 44.1 -56.7 -39.7 44.9 -9.1 4.2 294 297 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.945 113.2 49.0 -71.3 -50.6 48.3 -7.7 5.2 295 298 A K H X S+ 0 0 91 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.849 114.7 47.3 -56.2 -37.7 50.3 -9.5 2.5 296 299 A T H X S+ 0 0 48 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.954 110.7 50.5 -66.6 -53.5 47.7 -8.2 -0.0 297 300 A F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.928 112.8 47.7 -46.8 -53.4 47.9 -4.7 1.4 298 301 A V H X S+ 0 0 3 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.891 111.2 51.2 -55.5 -45.7 51.7 -4.8 1.1 299 302 A H H X S+ 0 0 86 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.905 109.5 48.4 -62.6 -45.0 51.5 -6.2 -2.4 300 303 A R H X S+ 0 0 79 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.755 112.5 49.7 -69.5 -26.1 49.2 -3.5 -3.7 301 304 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.910 110.6 48.9 -74.3 -46.1 51.4 -0.8 -2.1 302 305 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.875 109.9 53.5 -60.4 -39.1 54.6 -2.2 -3.7 303 306 A R H X S+ 0 0 169 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.938 113.0 41.3 -62.0 -49.7 52.8 -2.3 -7.0 304 307 A H H X S+ 0 0 35 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.801 112.1 54.4 -72.9 -30.8 51.8 1.3 -6.9 305 308 A I H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.947 117.0 37.8 -64.6 -47.2 55.2 2.5 -5.5 306 309 A A H >< S+ 0 0 38 -4,-2.3 3,-0.5 -5,-0.2 4,-0.4 0.908 116.7 54.0 -68.9 -41.5 57.0 0.8 -8.4 307 310 A G H >< S+ 0 0 41 -4,-3.1 3,-1.9 -5,-0.2 4,-0.3 0.951 108.2 48.0 -53.5 -54.2 54.2 1.8 -10.8 308 311 A H H >< S+ 0 0 6 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.656 95.1 74.8 -66.6 -17.7 54.5 5.5 -9.8 309 312 A A G X< S+ 0 0 19 -4,-0.8 3,-1.3 -3,-0.5 -1,-0.3 0.696 81.2 73.5 -66.2 -18.6 58.3 5.3 -10.3 310 313 A A G < S+ 0 0 84 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.822 85.8 62.1 -63.5 -33.7 57.6 5.3 -14.0 311 314 A S G < S+ 0 0 35 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.3 0.233 93.8 87.2 -80.5 15.6 56.6 9.0 -14.0 312 315 A L < - 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0 0 24 -19,-1.2 3,-0.9 -2,-0.4 -19,-0.2 -0.141 34.8 -99.3 -64.9 169.6 71.3 0.8 4.5 365 368 A N T 3 S+ 0 0 168 1,-0.2 -1,-0.1 -19,-0.1 -2,-0.0 0.886 115.7 53.7 -62.7 -46.2 74.3 2.4 2.8 366 369 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.529 81.8 126.1 -71.8 -2.5 74.7 0.3 -0.4 367 370 A S < - 0 0 21 -3,-0.9 -23,-0.2 -22,-0.2 -24,-0.1 -0.226 58.1-145.8 -61.4 140.3 71.0 1.0 -1.4 368 371 A Q S S+ 0 0 149 -25,-2.8 2,-0.4 1,-0.2 -24,-0.2 0.794 88.9 36.8 -72.6 -31.2 70.2 2.4 -4.8 369 372 A V S S- 0 0 6 -26,-0.4 2,-0.4 -24,-0.1 -24,-0.3 -0.977 86.5-121.9-127.8 136.7 67.3 4.4 -3.4 370 373 A I E -j 317 0C 57 -54,-2.5 -52,-2.5 -2,-0.4 2,-0.4 -0.648 23.6-157.5 -80.2 126.5 67.0 6.1 0.0 371 374 A C E +j 318 0C 1 -2,-0.4 -9,-2.6 -54,-0.2 -8,-1.1 -0.849 20.8 165.8-101.7 144.5 64.2 4.9 2.2 372 375 A A E -jK 319 361C 0 -54,-1.9 -52,-3.0 -2,-0.4 2,-0.5 -0.995 34.8-132.6-155.9 152.4 62.9 7.2 5.0 373 376 A V E +jK 320 360C 0 -13,-3.1 -13,-2.3 -2,-0.3 -52,-0.2 -0.962 23.8 179.3-108.2 127.5 60.0 7.9 7.4 374 377 A I - 0 0 0 -54,-2.4 -52,-0.2 -2,-0.5 -15,-0.1 -0.947 27.0-131.3-129.1 109.0 58.8 11.4 7.6 375 378 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -54,-0.1 -0.388 27.3-126.9 -58.4 127.1 55.9 12.1 10.0 376 379 A T - 0 0 33 -2,-0.1 2,-0.2 1,-0.0 3,-0.1 -0.513 23.8-172.4 -77.5 145.6 53.2 14.0 8.2 377 380 A N > + 0 0 45 -2,-0.2 4,-1.6 -202,-0.2 5,-0.1 -0.721 13.5 168.0-139.5 88.4 51.9 17.3 9.7 378 381 A E H > S+ 0 0 41 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.885 80.6 57.5 -67.1 -38.4 48.9 18.6 7.8 379 382 A E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 106.7 47.5 -60.0 -42.1 48.2 21.1 10.6 380 383 A K H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 112.3 50.2 -66.5 -39.3 51.7 22.7 10.2 381 384 A M H X S+ 0 0 17 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.886 110.5 48.7 -68.0 -40.9 51.3 22.9 6.4 382 385 A I H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.928 112.1 49.0 -63.8 -46.1 47.9 24.6 6.6 383 386 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.893 108.7 54.1 -58.9 -42.1 49.3 27.1 9.1 384 387 A L H X S+ 0 0 71 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.858 109.1 47.0 -62.8 -38.4 52.2 27.8 6.9 385 388 A D H X S+ 0 0 17 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.918 114.6 48.3 -66.6 -43.2 50.0 28.6 3.9 386 389 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.926 111.1 48.9 -61.1 -48.6 47.9 30.8 6.2 387 390 A I H X S+ 0 0 43 -4,-3.4 4,-0.7 2,-0.2 -1,-0.2 0.897 112.4 48.8 -59.7 -43.3 51.0 32.6 7.6 388 391 A H H >< S+ 0 0 135 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.945 115.2 43.2 -59.7 -51.0 52.3 33.2 4.1 389 392 A L H >< S+ 0 0 26 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.600 101.3 73.0 -73.1 -12.1 48.9 34.5 2.9 390 393 A G H 3< S+ 0 0 25 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.766 93.7 53.0 -70.0 -27.3 48.7 36.5 6.2 391 394 A N T << S+ 0 0 143 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.363 92.1 103.6 -87.5 4.8 51.4 38.9 4.9 392 395 A V S < S- 0 0 58 -3,-0.9 2,-0.8 -4,-0.1 -3,-0.0 -0.676 70.9-129.2 -96.9 140.5 49.3 39.5 1.7 393 396 A K 0 0 106 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.0 -0.793 360.0 360.0 -88.8 107.8 47.3 42.6 0.9 394 397 A A 0 0 109 -2,-0.8 -1,-0.1 0, 0.0 0, 0.0 0.369 360.0 360.0-117.0 360.0 43.8 41.5 -0.2