==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-MAY-10 3N79 . COMPND 2 MOLECULE: PDUT; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR C.S.CROWLEY,D.CASCIO,M.R.SAWAYA,T.O.YEATES . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 0 0 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 4 1 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 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 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 2 A S 0 0 88 0, 0.0 48,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -12.6 33.1 45.8 8.6 2 3 A Q E -A 76 0A 39 74,-1.9 74,-3.0 46,-0.1 2,-0.3 -0.612 360.0-139.8-113.7 179.7 29.5 47.0 9.0 3 4 A A E - B 0 47A 0 44,-2.1 44,-1.5 -2,-0.2 2,-0.4 -0.981 2.1-142.6-142.2 150.2 27.4 47.9 12.1 4 5 A I E -AB 73 46A 0 69,-2.4 69,-3.1 -2,-0.3 2,-0.4 -0.964 14.2-162.8-114.2 131.7 23.9 47.3 13.3 5 6 A G E -AB 72 45A 0 40,-2.6 40,-2.7 -2,-0.4 2,-0.4 -0.934 3.5-166.3-114.4 137.0 22.0 50.0 15.2 6 7 A I E +AB 71 44A 3 65,-2.9 65,-2.2 -2,-0.4 2,-0.4 -0.987 8.3 176.6-125.3 129.6 18.9 49.3 17.3 7 8 A L E -AB 70 43A 0 36,-2.6 36,-2.8 -2,-0.4 2,-0.4 -0.992 5.9-170.9-133.8 126.8 16.5 51.9 18.7 8 9 A E E -AB 69 42A 10 61,-2.7 60,-2.9 -2,-0.4 61,-1.3 -0.971 7.3-176.0-120.4 131.2 13.4 51.0 20.6 9 10 A L E -AB 67 41A 0 32,-2.8 32,-3.0 -2,-0.4 58,-0.2 -0.865 32.8-137.0-123.9 156.7 10.7 53.6 21.6 10 11 A T S S+ 0 0 85 56,-2.2 2,-0.4 -2,-0.3 57,-0.1 0.572 90.6 68.1 -87.1 -8.3 7.5 53.6 23.6 11 12 A S > - 0 0 33 55,-0.3 4,-2.0 1,-0.1 30,-0.1 -0.948 62.0-159.9-118.7 130.5 5.8 55.7 20.9 12 13 A I H > S+ 0 0 64 -2,-0.4 4,-2.5 27,-0.3 5,-0.2 0.894 99.5 49.5 -68.8 -44.6 4.9 54.6 17.4 13 14 A A H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 112.6 47.4 -60.7 -44.7 4.7 58.2 16.2 14 15 A K H > S+ 0 0 30 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.898 109.4 56.1 -62.1 -38.4 8.0 59.0 17.8 15 16 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 109.7 43.4 -58.3 -48.3 9.4 55.9 16.2 16 17 A M H X S+ 0 0 118 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 115.0 50.3 -67.0 -40.1 8.4 57.0 12.7 17 18 A E H X S+ 0 0 100 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 113.5 45.3 -57.4 -45.5 9.7 60.5 13.5 18 19 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.834 108.0 56.6 -72.9 -32.4 13.0 59.1 14.7 19 20 A G H X S+ 0 0 5 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.954 111.1 44.9 -59.0 -49.5 13.3 56.7 11.7 20 21 A D H X S+ 0 0 82 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.942 114.5 48.6 -57.2 -50.2 13.0 59.8 9.5 21 22 A A H X S+ 0 0 19 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.903 113.3 46.3 -59.2 -44.0 15.5 61.8 11.6 22 23 A M H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.902 109.7 52.7 -70.1 -41.1 18.1 59.0 11.7 23 24 A L H < S+ 0 0 69 -4,-2.4 5,-0.3 -5,-0.2 -1,-0.2 0.850 113.9 44.6 -60.5 -35.1 17.8 58.2 8.0 24 25 A K H < S+ 0 0 157 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.742 107.0 61.8 -77.7 -23.7 18.5 61.9 7.3 25 26 A S H < S- 0 0 43 -4,-1.3 2,-0.3 -5,-0.2 -2,-0.2 0.775 116.4 -2.6 -78.4 -27.6 21.3 62.2 9.8 26 27 A A S < S- 0 0 16 -4,-1.2 2,-1.7 -3,-0.1 -1,-0.1 -0.964 82.5 -82.7-157.5 167.5 23.6 59.6 8.3 27 28 A N S S+ 0 0 132 -2,-0.3 21,-0.5 -3,-0.1 2,-0.3 -0.589 73.1 139.0 -80.7 84.5 24.2 57.2 5.4 28 29 A V - 0 0 11 -2,-1.7 2,-0.4 -5,-0.3 19,-0.2 -0.922 48.9-127.4-130.3 152.8 22.3 54.2 6.9 29 30 A D E -C 46 0A 95 17,-3.4 17,-2.3 -2,-0.3 2,-0.6 -0.827 23.1-126.1 -97.2 138.0 20.0 51.5 5.6 30 31 A L E +C 45 0A 74 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.741 33.8 169.7 -80.5 118.4 16.6 50.9 7.4 31 32 A L E + 0 0 19 13,-3.2 2,-0.3 -2,-0.6 14,-0.2 0.811 66.8 9.1 -97.1 -40.6 16.6 47.1 8.2 32 33 A V E +C 44 0A 15 12,-1.8 12,-2.5 2,-0.0 -1,-0.4 -0.997 53.6 168.1-142.6 140.6 13.5 47.0 10.5 33 34 A S E +C 43 0A 55 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.734 33.7 133.0-152.3 94.9 10.8 49.6 11.3 34 35 A K E -C 42 0A 105 8,-2.4 8,-3.3 -2,-0.2 2,-0.3 -0.990 54.3-108.1-151.3 154.8 7.9 48.0 13.1 35 36 A T E -C 41 0A 69 -2,-0.3 2,-0.4 6,-0.2 6,-0.3 -0.652 32.3-161.4 -81.1 137.6 5.4 48.2 16.0 36 37 A I E >> -C 40 0A 22 4,-2.5 4,-2.4 -2,-0.3 3,-0.6 -0.951 33.5 -65.1-118.2 142.3 5.9 45.7 18.8 37 38 A S T 34 S+ 0 0 107 -2,-0.4 4,-0.0 1,-0.3 92,-0.0 -0.363 116.0 26.5 -60.9 144.1 3.3 44.8 21.4 38 39 A P T 34 S- 0 0 126 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.964 131.1 -66.0 -81.3 -21.3 2.0 46.3 23.5 39 40 A G T <4 S+ 0 0 28 -3,-0.6 -27,-0.3 -28,-0.0 -2,-0.2 0.186 86.6 129.0 176.7 29.5 2.6 49.5 21.5 40 41 A K E < - C 0 36A 52 -4,-2.4 -4,-2.5 -29,-0.1 2,-0.4 -0.408 48.7-128.2 -89.8 172.3 6.3 50.1 21.3 41 42 A F E -BC 9 35A 4 -32,-3.0 -32,-2.8 -6,-0.3 2,-0.5 -0.987 14.3-157.0-130.5 136.6 8.3 50.8 18.1 42 43 A L E -BC 8 34A 0 -8,-3.3 -8,-2.4 -2,-0.4 2,-0.4 -0.941 9.6-179.4-117.2 128.2 11.4 49.1 16.9 43 44 A L E -BC 7 33A 0 -36,-2.8 -36,-2.6 -2,-0.5 2,-0.4 -0.982 1.3-176.7-121.5 135.4 14.0 50.5 14.4 44 45 A M E -BC 6 32A 0 -12,-2.5 -13,-3.2 -2,-0.4 -12,-1.8 -0.999 7.5-171.4-132.2 134.0 17.1 48.6 13.2 45 46 A L E -BC 5 30A 0 -40,-2.7 -40,-2.6 -2,-0.4 2,-0.3 -0.871 7.3-160.1-122.1 153.1 19.7 50.2 10.9 46 47 A G E +BC 4 29A 0 -17,-2.3 -17,-3.4 -2,-0.3 2,-0.3 -0.958 36.3 92.9-129.9 152.8 22.7 49.0 9.0 47 48 A G E S-B 3 0A 6 -44,-1.5 -44,-2.1 -2,-0.3 -19,-0.1 -0.960 74.1 -22.7 159.2-174.3 25.7 50.8 7.6 48 49 A D > - 0 0 95 -21,-0.5 4,-2.5 -2,-0.3 5,-0.2 -0.272 64.2-114.8 -56.4 150.3 29.3 51.8 8.3 49 50 A I H > S+ 0 0 74 -48,-0.4 4,-2.9 1,-0.2 5,-0.2 0.879 114.3 52.1 -58.8 -42.6 30.1 52.0 12.1 50 51 A G H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 112.6 45.0 -59.3 -49.1 30.6 55.8 12.0 51 52 A A H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.905 114.7 48.9 -60.5 -43.2 27.3 56.4 10.3 52 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.898 109.4 50.9 -67.5 -42.3 25.5 54.0 12.7 53 54 A Q H X S+ 0 0 99 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.920 114.5 44.7 -59.3 -43.4 27.0 55.5 15.8 54 55 A Q H X S+ 0 0 110 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.898 113.6 49.9 -67.1 -42.9 25.9 59.0 14.6 55 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.960 114.8 42.8 -62.1 -50.9 22.4 57.8 13.6 56 57 A I H X S+ 0 0 8 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.874 112.7 54.2 -66.1 -35.4 21.8 56.0 16.9 57 58 A E H X S+ 0 0 111 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.948 110.5 46.7 -57.7 -49.6 23.3 59.0 18.8 58 59 A T H X S+ 0 0 33 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.927 114.0 48.1 -55.3 -49.9 20.8 61.2 16.9 59 60 A G H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.906 115.4 42.5 -61.2 -46.3 17.9 58.9 17.7 60 61 A T H X S+ 0 0 34 -4,-2.9 4,-0.7 1,-0.2 3,-0.4 0.882 111.1 57.6 -66.5 -38.8 18.8 58.5 21.4 61 62 A S H < S+ 0 0 84 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.759 115.9 34.8 -62.0 -27.2 19.4 62.3 21.6 62 63 A Q H < S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.482 98.0 81.2-108.6 -6.4 15.9 63.0 20.4 63 64 A A H >< + 0 0 0 -4,-0.9 3,-1.8 -3,-0.4 -2,-0.1 0.818 65.0 175.2 -71.5 -32.5 14.0 60.1 22.0 64 65 A G G >< - 0 0 46 -4,-0.7 3,-1.4 1,-0.3 -1,-0.2 -0.326 69.2 -16.6 59.3-139.5 13.7 61.8 25.4 65 66 A E G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -56,-0.0 -2,-0.1 0.458 130.3 74.0 -77.6 -0.0 11.6 59.8 27.9 66 67 A M G < S+ 0 0 64 -3,-1.8 -56,-2.2 -4,-0.1 2,-0.4 0.529 71.0 112.5 -86.7 -6.9 10.2 57.8 25.0 67 68 A L E < +A 9 0A 64 -3,-1.4 -58,-0.2 -58,-0.2 3,-0.1 -0.525 36.2 170.3 -68.5 122.8 13.5 56.0 24.7 68 69 A V E - 0 0 69 -60,-2.9 2,-0.3 1,-0.4 -59,-0.2 0.852 61.9 -31.8 -92.9 -55.2 13.2 52.3 25.7 69 70 A D E -A 8 0A 86 -61,-1.3 -61,-2.7 2,-0.0 -1,-0.4 -0.983 51.6-165.4-161.1 159.3 16.6 50.9 24.7 70 71 A S E +A 7 0A 40 -2,-0.3 2,-0.3 -63,-0.2 -63,-0.2 -0.988 7.6 178.6-152.7 152.5 19.4 51.4 22.1 71 72 A L E -A 6 0A 67 -65,-2.2 -65,-2.9 -2,-0.3 2,-0.5 -0.995 16.8-155.8-152.5 145.5 22.4 49.4 21.0 72 73 A V E -A 5 0A 37 -2,-0.3 2,-0.6 -67,-0.2 -67,-0.2 -0.997 9.4-164.7-121.9 125.3 25.2 49.5 18.5 73 74 A L E -A 4 0A 22 -69,-3.1 -69,-2.4 -2,-0.5 3,-0.3 -0.944 17.1-158.7-106.7 112.3 26.8 46.3 17.4 74 75 A A E + 0 0 59 -2,-0.6 -71,-0.2 -71,-0.2 -72,-0.1 -0.481 60.2 22.1 -91.0 160.1 30.1 47.0 15.7 75 76 A N E S+ 0 0 103 -73,-0.3 2,-0.4 1,-0.2 -72,-0.2 0.919 75.3 166.2 55.3 54.6 32.1 44.9 13.2 76 77 A I E -A 2 0A 5 -74,-3.0 -74,-1.9 -3,-0.3 -1,-0.2 -0.837 45.0-102.1-102.2 135.6 29.3 42.8 12.0 77 78 A H >> - 0 0 62 -2,-0.4 3,-2.0 -76,-0.1 4,-0.5 -0.296 31.6-122.3 -55.4 138.1 29.8 40.7 8.8 78 79 A P T >4 S+ 0 0 57 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.766 107.1 64.7 -58.8 -28.4 28.1 42.4 5.9 79 80 A S T 3> S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.708 89.3 68.5 -69.4 -17.8 25.8 39.4 5.1 80 81 A V H <> S+ 0 0 0 -3,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.840 90.5 63.0 -68.1 -32.1 24.1 39.8 8.5 81 82 A L H XX S+ 0 0 8 -3,-0.9 4,-1.8 -4,-0.5 3,-1.2 0.970 106.8 38.7 -61.3 -57.1 22.5 43.1 7.4 82 83 A P H 3> S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.767 110.1 63.7 -66.7 -20.6 20.3 41.7 4.5 83 84 A A H 3< S+ 0 0 0 -4,-1.1 42,-2.9 2,-0.2 -2,-0.2 0.745 106.6 44.3 -69.4 -23.5 19.7 38.6 6.7 84 85 A I H << S+ 0 0 17 -3,-1.2 -1,-0.2 -4,-1.1 43,-0.1 0.870 118.2 41.4 -84.3 -40.3 17.9 40.9 9.1 85 86 A S H < S- 0 0 70 -4,-1.8 -2,-0.2 -5,-0.1 2,-0.2 0.739 134.2 -44.9 -81.6 -23.5 15.9 42.9 6.5 86 87 A G S < S- 0 0 34 -4,-2.0 39,-0.4 -5,-0.2 2,-0.4 -0.574 85.3 -35.1-167.3-128.3 15.0 39.9 4.4 87 88 A L - 0 0 91 -2,-0.2 2,-0.3 37,-0.1 37,-0.2 -0.947 35.1-142.2-126.3 141.4 16.6 36.8 2.9 88 89 A N - 0 0 34 35,-2.8 2,-0.2 -2,-0.4 33,-0.0 -0.777 40.3 -99.6 -93.3 148.4 20.0 36.0 1.5 89 90 A S - 0 0 108 -2,-0.3 2,-0.5 1,-0.1 -1,-0.0 -0.462 31.4-125.2 -71.9 136.7 20.1 33.7 -1.5 90 91 A V + 0 0 46 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.701 29.8 174.3 -79.0 122.4 20.9 30.0 -0.8 91 92 A D S S+ 0 0 115 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.478 71.0 38.5-105.3 -4.8 23.8 28.8 -2.9 92 93 A K - 0 0 75 3,-0.1 -1,-0.2 1,-0.1 29,-0.1 -0.996 53.1-177.0-145.6 144.9 23.9 25.4 -1.2 93 94 A R + 0 0 181 -2,-0.3 78,-0.1 47,-0.1 -1,-0.1 0.516 53.1 105.6-115.0 -11.7 21.1 23.0 -0.0 94 95 A Q S S+ 0 0 90 77,-0.1 77,-3.0 1,-0.1 2,-0.3 0.792 91.6 1.7 -52.6 -36.8 22.9 20.1 1.6 95 96 A A E -DE 141 170B 0 46,-1.4 46,-2.0 75,-0.3 2,-0.4 -0.995 57.0-148.5-150.6 152.3 22.1 21.1 5.1 96 97 A V E -DE 140 169B 0 73,-2.1 73,-3.3 -2,-0.3 2,-0.4 -0.937 13.8-161.7-117.4 143.9 20.3 23.8 7.1 97 98 A G E -DE 139 168B 0 42,-2.6 42,-2.6 -2,-0.4 2,-0.4 -0.981 4.1-169.2-124.2 142.3 21.4 24.9 10.5 98 99 A I E -DE 138 167B 40 69,-2.6 69,-2.5 -2,-0.4 2,-0.5 -0.996 5.4-175.7-133.1 128.8 19.2 26.7 13.0 99 100 A V E -DE 137 166B 0 38,-1.8 38,-2.4 -2,-0.4 2,-0.4 -0.980 10.3-160.6-126.7 121.7 20.3 28.4 16.2 100 101 A E E +DE 136 165B 50 65,-2.9 64,-3.0 -2,-0.5 65,-1.3 -0.836 15.3 176.2-105.5 131.7 17.6 29.9 18.5 101 102 A T E -DE 135 163B 0 34,-2.9 34,-2.7 -2,-0.4 2,-0.6 -0.880 37.4-110.3-127.9 161.0 18.5 32.5 21.1 102 103 A W E S+D 134 0B 119 60,-2.3 4,-0.3 -2,-0.3 32,-0.2 -0.863 93.2 15.5 -83.4 124.7 17.0 34.7 23.6 103 104 A S S > S- 0 0 26 30,-2.2 4,-1.4 -2,-0.6 29,-0.2 0.435 76.2-113.9 87.4 142.2 17.4 38.3 22.3 104 105 A V H > S+ 0 0 0 27,-2.4 4,-3.2 1,-0.2 5,-0.2 0.823 113.9 62.5 -78.3 -26.7 18.2 39.5 18.8 105 106 A A H > S+ 0 0 28 26,-0.5 4,-2.6 2,-0.2 5,-0.2 0.944 106.1 44.6 -58.7 -47.9 21.6 40.9 20.0 106 107 A A H > S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.888 113.8 51.2 -64.4 -37.2 22.7 37.4 21.0 107 108 A C H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.935 111.1 46.9 -65.6 -45.1 21.4 36.1 17.7 108 109 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.941 113.7 47.5 -61.5 -48.6 23.2 38.8 15.7 109 110 A S H X S+ 0 0 23 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.887 114.5 47.2 -61.7 -38.6 26.5 38.2 17.5 110 111 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.886 112.0 49.7 -69.1 -41.8 26.2 34.4 17.1 111 112 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.902 110.1 51.5 -64.1 -41.9 25.3 34.7 13.4 112 113 A D H X S+ 0 0 17 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.941 112.0 45.6 -58.6 -48.8 28.3 37.0 12.9 113 114 A R H X S+ 0 0 112 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.898 111.9 53.5 -64.0 -38.0 30.6 34.5 14.6 114 115 A A H < S+ 0 0 0 -4,-2.4 6,-0.3 2,-0.2 3,-0.3 0.935 111.1 44.0 -60.1 -50.7 29.1 31.7 12.6 115 116 A V H >< S+ 0 0 15 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.922 115.8 48.2 -63.6 -40.9 29.6 33.3 9.3 116 117 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.696 113.5 47.7 -73.4 -20.0 33.2 34.3 10.2 117 118 A G T 3< S+ 0 0 45 -4,-1.5 2,-0.2 -3,-0.3 -1,-0.2 0.213 119.6 22.9-106.0 13.8 34.1 30.9 11.5 118 119 A S S < S- 0 0 27 -3,-1.0 28,-0.1 -4,-0.2 27,-0.1 -0.826 77.3-108.3-153.8-172.2 32.8 28.8 8.6 119 120 A N S S+ 0 0 123 -2,-0.2 23,-0.1 23,-0.1 -4,-0.1 0.087 71.0 128.4-114.2 20.8 31.9 29.0 4.9 120 121 A V - 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0 0 59 -2,-0.3 4,-3.1 -48,-0.2 5,-0.3 -0.314 66.9-113.9 -64.3 147.7 27.5 21.7 3.2 143 144 A V H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 116.2 48.1 -53.6 -44.4 26.8 19.5 6.3 144 145 A S H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 113.2 48.2 -63.8 -38.8 30.3 19.9 7.7 145 146 A D H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -25,-0.3 0.915 111.8 49.3 -66.6 -45.6 30.2 23.6 7.2 146 147 A V H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.907 108.4 53.6 -61.1 -42.2 26.8 23.9 8.8 147 148 A N H X S+ 0 0 70 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.927 110.5 47.1 -59.6 -43.5 28.0 21.9 11.8 148 149 A N H X S+ 0 0 85 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.931 113.7 47.9 -58.5 -49.5 30.9 24.2 12.3 149 150 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 112.7 47.8 -61.4 -45.7 28.7 27.3 12.0 150 151 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.908 111.5 50.6 -64.5 -41.8 26.1 25.9 14.4 151 152 A T H X S+ 0 0 40 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.943 112.7 45.8 -59.6 -49.3 28.7 25.0 16.9 152 153 A V H X S+ 0 0 40 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.920 115.2 46.7 -60.3 -46.0 30.4 28.4 16.8 153 154 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.899 112.0 51.3 -63.1 -41.4 27.0 30.2 17.0 154 155 A S H X S+ 0 0 9 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.857 108.8 50.5 -64.8 -38.6 25.9 27.9 19.9 155 156 A E H X S+ 0 0 126 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.915 109.4 52.4 -65.7 -41.7 29.1 28.6 21.8 156 157 A S H < S+ 0 0 3 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.958 118.3 34.6 -57.8 -53.3 28.5 32.3 21.4 157 158 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-1.0 0.877 116.0 55.9 -72.5 -35.3 25.0 32.3 22.7 158 159 A G H ><5S+ 0 0 35 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.799 94.4 65.3 -70.9 -29.8 25.6 29.6 25.3 159 160 A E T 3<5S+ 0 0 135 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.782 109.1 42.5 -61.7 -23.1 28.4 31.4 27.0 160 161 A K T < 5S- 0 0 83 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.407 115.8-114.1-101.2 -2.0 25.8 33.9 27.9 161 162 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.703 88.2 114.7 70.7 22.0 23.1 31.4 28.9 162 163 A L < + 0 0 54 -5,-2.5 -60,-2.3 -6,-0.1 2,-0.5 0.284 35.4 111.6-111.4 10.1 21.1 32.7 25.9 163 164 A L E +E 101 0B 54 -6,-0.4 -62,-0.2 -62,-0.2 3,-0.1 -0.737 35.7 176.3 -83.4 127.2 21.1 29.6 23.7 164 165 A V E - 0 0 49 -64,-3.0 2,-0.3 -2,-0.5 -63,-0.2 0.860 63.6 -29.5 -91.3 -52.2 17.6 28.1 23.4 165 166 A Y E -E 100 0B 150 -65,-1.3 -65,-2.9 2,-0.0 -1,-0.4 -0.980 48.6-149.3-164.5 152.5 18.4 25.3 21.0 166 167 A R E -E 99 0B 83 -2,-0.3 2,-0.4 -67,-0.2 -67,-0.2 -0.986 16.7-175.9-128.1 143.6 20.7 24.4 18.1 167 168 A S E -E 98 0B 27 -69,-2.5 -69,-2.6 -2,-0.4 2,-0.5 -0.995 17.9-163.6-145.3 131.0 19.9 22.1 15.2 168 169 A V E -E 97 0B 43 -2,-0.4 -71,-0.2 -71,-0.2 -2,-0.0 -0.982 16.2-174.7-109.7 120.0 21.7 20.7 12.2 169 170 A I E -E 96 0B 41 -73,-3.3 -73,-2.1 -2,-0.5 2,-0.0 -0.817 4.6-165.6-122.0 88.5 19.3 19.4 9.7 170 171 A P E S+E 95 0B 46 0, 0.0 -75,-0.3 0, 0.0 -76,-0.1 -0.396 74.0 5.4 -63.5 149.1 20.9 17.6 6.7 171 172 A R S S- 0 0 197 -77,-3.0 -76,-0.1 -78,-0.1 -77,-0.1 0.856 88.6-143.8 47.8 55.6 18.7 17.0 3.7 172 173 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.164 22.7 -99.2 -53.9 140.7 15.7 18.9 5.0 173 174 A H >> - 0 0 122 1,-0.1 3,-1.9 2,-0.1 4,-1.6 -0.295 28.4-117.8 -59.7 145.6 12.3 17.4 4.0 174 175 A E H 3> S+ 0 0 154 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.793 113.2 55.3 -57.6 -31.2 10.6 19.0 1.0 175 176 A A H 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.568 114.5 39.0 -82.9 -7.1 7.6 20.1 3.2 176 177 A M H <> S+ 0 0 84 -3,-1.9 4,-2.3 2,-0.1 -2,-0.2 0.613 93.7 85.6-107.8 -19.3 9.8 22.0 5.6 177 178 A W H X S+ 0 0 53 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.884 87.8 48.2 -57.3 -50.8 12.3 23.5 3.3 178 179 A R H X>S+ 0 0 174 -4,-0.5 4,-2.3 1,-0.2 5,-0.9 0.902 112.6 48.7 -59.7 -43.1 10.4 26.7 2.3 179 180 A Q H >5S+ 0 0 117 3,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.913 112.0 50.7 -64.0 -42.1 9.6 27.6 5.9 180 181 A M H <5S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.940 121.7 29.3 -58.8 -50.1 13.2 27.0 6.9 181 182 A V H <5S+ 0 0 9 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.629 137.5 22.4 -94.7 -11.4 14.8 29.2 4.3 182 183 A E H <5 0 0 107 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.646 360.0 360.0-121.2 -29.7 12.0 31.8 3.7 183 184 A G << 0 0 62 -4,-1.0 -3,-0.1 -5,-0.9 -2,-0.1 -0.206 360.0 360.0 87.9 360.0 9.9 31.7 6.8