==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-JAN-12 3VNW . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.YAMADA,N.D.BOULEY-FORD,G.E.KELLER,J.R.WINKLER,H.B.GRAY . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 1 1 0 1 1 0 1 0 0 0 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 A D > 0 0 140 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 179.5 34.0 -25.3 -4.1 2 4 A G H > + 0 0 10 1,-0.2 4,-2.1 2,-0.2 83,-0.1 0.863 360.0 55.2 -53.0 -45.8 32.3 -22.1 -2.9 3 5 A A H 4 S+ 0 0 52 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.891 107.7 49.8 -56.5 -42.7 31.2 -23.6 0.4 4 6 A K H >4 S+ 0 0 121 -3,-0.2 3,-1.1 1,-0.2 4,-0.3 0.902 110.0 49.2 -66.5 -42.0 34.8 -24.6 1.2 5 7 A I H >< S+ 0 0 8 -4,-1.9 3,-2.5 1,-0.2 -1,-0.2 0.907 99.6 68.3 -62.6 -38.6 36.2 -21.1 0.5 6 8 A Y T >X S+ 0 0 5 -4,-2.1 3,-2.2 1,-0.3 4,-1.7 0.682 79.8 77.6 -56.9 -18.1 33.5 -19.6 2.7 7 9 A A H <> S+ 0 0 67 -3,-1.1 4,-0.6 -4,-0.5 -1,-0.3 0.841 87.9 59.6 -59.3 -28.8 35.3 -21.2 5.7 8 10 A Q H <4 S+ 0 0 85 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.484 114.0 36.4 -75.6 -4.0 37.7 -18.3 5.4 9 11 A C H X> S+ 0 0 29 -3,-2.2 4,-2.3 -4,-0.2 3,-1.4 0.570 96.0 80.7-115.3 -24.8 34.8 -15.9 5.9 10 12 A A H 3X S+ 0 0 5 -4,-1.7 4,-1.3 1,-0.3 5,-0.2 0.733 77.4 70.9 -69.7 -25.1 32.6 -17.8 8.4 11 13 A G H 3< S+ 0 0 67 -4,-0.6 -1,-0.3 3,-0.2 -3,-0.1 0.839 119.5 18.7 -56.9 -32.4 34.7 -16.7 11.5 12 14 A C H <4 S+ 0 0 55 -3,-1.4 -2,-0.2 2,-0.1 12,-0.2 0.871 134.2 36.2-103.5 -59.7 33.3 -13.2 11.0 13 15 A H H < S- 0 0 26 -4,-2.3 6,-2.4 1,-0.1 14,-0.3 0.545 108.7-129.3 -77.4 -9.2 30.2 -13.4 8.8 14 16 A Q >< - 0 0 58 -4,-1.3 3,-1.6 -5,-0.4 -3,-0.2 0.321 20.9 -80.1 81.3 156.2 29.2 -16.7 10.5 15 17 A Q T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -5,-0.2 -4,-0.1 0.852 132.0 44.4 -58.9 -38.3 28.1 -20.2 9.1 16 18 A N T 3 S- 0 0 71 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.325 110.7-123.0 -88.5 3.0 24.6 -19.0 8.4 17 19 A G S < S+ 0 0 0 -3,-1.6 10,-3.2 1,-0.1 11,-2.4 0.593 77.9 121.4 70.3 10.2 25.8 -15.7 6.9 18 20 A Q - 0 0 124 8,-0.2 -4,-0.2 1,-0.2 -1,-0.1 0.519 59.4-150.8 -87.7 -2.6 23.8 -13.6 9.3 19 21 A G - 0 0 8 -6,-2.4 -1,-0.2 6,-0.2 -6,-0.1 -0.219 25.2 -74.0 72.7-164.1 26.9 -11.8 10.7 20 22 A I B >> -A 24 0A 69 4,-2.5 4,-2.0 -6,-0.1 3,-1.7 -0.976 51.7-104.4-135.2 123.4 27.3 -10.4 14.2 21 23 A P T 34 S+ 0 0 100 0, 0.0 42,-0.1 0, 0.0 -2,-0.0 -0.169 101.3 1.4 -53.8 133.1 25.4 -7.2 15.2 22 24 A G T 34 S+ 0 0 46 1,-0.2 42,-0.5 40,-0.1 -3,-0.0 0.022 133.7 53.9 84.2 -26.4 27.7 -4.2 15.4 23 25 A A T <4 S+ 0 0 47 -3,-1.7 -1,-0.2 1,-0.3 41,-0.1 0.872 111.4 18.2-108.1 -55.1 30.8 -6.2 14.4 24 26 A F B < S-A 20 0A 81 -4,-2.0 -4,-2.5 -12,-0.2 -1,-0.3 -0.979 78.8-123.8-129.7 116.8 30.4 -8.1 11.1 25 27 A P - 0 0 27 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.188 30.8-105.0 -59.9 151.3 27.6 -7.3 8.6 26 28 A P - 0 0 14 0, 0.0 -8,-0.2 0, 0.0 -12,-0.1 -0.455 26.5-172.9 -66.8 149.0 25.1 -10.0 7.5 27 29 A L >> + 0 0 23 -10,-3.2 4,-2.4 -14,-0.3 3,-1.4 0.700 65.3 86.7-101.4 -43.1 25.5 -11.5 4.1 28 30 A A T 34 S+ 0 0 17 -11,-2.4 58,-0.1 1,-0.3 62,-0.1 -0.391 110.2 2.7 -56.0 126.0 22.3 -13.5 4.2 29 31 A G T 34 S+ 0 0 20 -2,-0.1 4,-0.3 1,-0.1 -1,-0.3 0.226 126.9 71.8 79.9 -14.2 19.4 -11.3 3.0 30 32 A H T <> S+ 0 0 10 -3,-1.4 4,-1.6 2,-0.1 -2,-0.2 0.713 79.2 66.4-105.5 -30.0 21.9 -8.5 2.3 31 33 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.904 99.1 56.3 -59.5 -40.3 23.7 -9.7 -0.8 32 34 A A H > S+ 0 0 7 -5,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.882 103.4 54.7 -57.3 -39.1 20.4 -9.4 -2.7 33 35 A E H 4 S+ 0 0 77 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.888 111.9 43.0 -61.5 -42.8 20.3 -5.7 -1.7 34 36 A I H >< S+ 0 0 9 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.942 112.4 52.3 -68.8 -49.0 23.8 -5.1 -3.1 35 37 A L H 3< S+ 0 0 27 -4,-2.9 6,-0.3 1,-0.3 5,-0.3 0.797 99.1 66.0 -57.5 -31.3 23.1 -7.1 -6.3 36 38 A A T 3< S+ 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 2,-0.2 0.748 90.0 84.0 -64.1 -25.0 19.9 -5.0 -6.9 37 39 A K S X S- 0 0 87 -3,-1.6 3,-2.4 -4,-0.5 2,-0.5 -0.561 93.6-106.5 -82.9 143.8 22.1 -2.0 -7.4 38 40 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.583 114.9 19.4 -65.6 117.8 23.7 -1.1 -10.7 39 41 A G T 3> S+ 0 0 28 -2,-0.5 4,-2.2 -4,-0.2 -1,-0.3 0.387 91.6 123.7 94.3 1.3 27.4 -1.9 -10.1 40 42 A G H <> S+ 0 0 0 -3,-2.4 4,-2.0 -5,-0.3 -5,-0.2 0.902 71.1 46.7 -61.2 -46.0 26.4 -4.2 -7.2 41 43 A R H > S+ 0 0 50 -4,-0.4 4,-1.6 -6,-0.3 -1,-0.2 0.906 112.7 50.0 -68.8 -39.1 28.1 -7.3 -8.4 42 44 A E H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 108.1 55.5 -59.0 -43.2 31.3 -5.5 -9.3 43 45 A Y H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 103.1 53.4 -59.6 -45.4 31.3 -4.0 -5.9 44 46 A L H X S+ 0 0 9 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.888 109.2 49.9 -56.3 -42.7 31.2 -7.4 -4.2 45 47 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.902 107.7 53.8 -59.8 -43.5 34.3 -8.4 -6.2 46 48 A L H X S+ 0 0 14 -4,-2.3 4,-2.9 1,-0.2 5,-0.5 0.885 103.7 56.1 -62.5 -37.8 36.1 -5.2 -5.2 47 49 A V H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.938 112.4 41.9 -57.7 -46.2 35.4 -6.0 -1.5 48 50 A L H < S+ 0 0 20 -4,-1.5 22,-3.3 1,-0.2 -2,-0.2 0.874 119.5 43.5 -72.5 -36.4 37.1 -9.4 -1.9 49 51 A L H < S+ 0 0 1 -4,-2.5 22,-0.5 20,-0.2 -2,-0.2 0.882 134.1 13.6 -70.7 -37.9 40.0 -8.1 -4.0 50 52 A Y H < S- 0 0 22 -4,-2.9 19,-0.3 1,-0.2 -3,-0.2 0.491 96.4-128.0-127.2 -7.9 40.7 -4.9 -2.0 51 53 A G < - 0 0 0 -4,-2.4 2,-0.3 -5,-0.5 -1,-0.2 -0.231 22.6-102.9 82.1-177.2 39.0 -5.1 1.4 52 54 A L E +B 67 0B 23 15,-2.0 15,-3.3 67,-0.1 2,-0.3 -0.993 30.5 171.8-149.5 147.5 36.7 -2.5 3.0 53 55 A Q E +B 66 0B 65 63,-0.8 13,-0.2 -2,-0.3 12,-0.1 -0.945 34.5 57.5-145.2 168.9 36.7 0.2 5.7 54 56 A G S S- 0 0 20 11,-0.8 11,-0.4 -2,-0.3 2,-0.3 -0.102 84.3 -44.8 101.4 167.3 34.5 3.0 7.0 55 57 A Q + 0 0 98 9,-0.2 2,-0.3 7,-0.1 9,-0.2 -0.546 61.5 167.9 -74.6 128.6 31.1 3.5 8.5 56 58 A I E -C 63 0C 12 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.905 28.3-130.9-134.3 163.8 28.3 1.6 6.6 57 59 A E E +C 62 0C 68 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.967 20.1 178.2-118.4 132.5 24.7 0.7 7.3 58 60 A V E > S-C 61 0C 2 3,-2.7 3,-1.8 -2,-0.4 -28,-0.0 -0.969 78.4 -14.5-135.3 122.2 23.2 -2.7 6.9 59 61 A K T 3 S- 0 0 107 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.871 129.0 -56.4 51.7 42.3 19.5 -3.3 7.7 60 62 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.504 115.3 118.2 72.5 2.8 19.5 0.1 9.4 61 63 A M E < -C 58 0C 80 -3,-1.8 -3,-2.7 1,-0.0 2,-0.3 -0.805 61.9-124.8-101.5 144.3 22.4 -1.0 11.7 62 64 A K E -C 57 0C 98 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.699 22.7-173.3 -90.8 138.2 25.8 0.8 11.7 63 65 A Y E +C 56 0C 13 -7,-2.7 -7,-2.4 -2,-0.3 -40,-0.1 -0.971 10.1 176.5-123.8 144.0 29.2 -1.0 11.2 64 66 A N + 0 0 105 -42,-0.5 -9,-0.2 -2,-0.4 2,-0.1 -0.248 40.8 109.8-142.1 54.3 32.5 0.7 11.5 65 67 A G - 0 0 42 -11,-0.4 -11,-0.8 -42,-0.1 2,-0.4 -0.215 59.9-105.7-114.8-162.7 35.1 -1.9 11.0 66 68 A V E -B 53 0B 123 -13,-0.2 2,-0.5 -2,-0.1 -13,-0.2 -0.999 17.7-160.8-133.4 132.2 37.8 -3.1 8.6 67 69 A M E -B 52 0B 47 -15,-3.3 -15,-2.0 -2,-0.4 2,-0.0 -0.978 21.9-129.6-109.5 129.2 37.8 -6.0 6.2 68 70 A S - 0 0 79 -2,-0.5 -17,-0.3 -17,-0.2 2,-0.2 -0.275 28.1 -97.6 -61.8 155.5 41.1 -7.3 4.9 69 71 A S - 0 0 44 -19,-0.3 -20,-0.2 -18,-0.1 -19,-0.1 -0.507 23.3-162.8 -65.5 144.0 41.8 -8.0 1.2 70 72 A F > + 0 0 37 -22,-3.3 3,-2.0 -23,-0.2 -21,-0.2 -0.115 46.0 130.5-119.3 34.0 41.4 -11.6 -0.1 71 73 A A T 3 + 0 0 35 -22,-0.5 -1,-0.1 1,-0.3 -22,-0.1 0.587 58.6 75.1 -67.2 -11.7 43.4 -11.1 -3.3 72 74 A Q T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.724 78.6 90.7 -71.3 -23.1 45.5 -14.2 -2.5 73 75 A L S < S- 0 0 8 -3,-2.0 -3,-0.0 -25,-0.2 2,-0.0 -0.515 88.4-112.6 -66.0 143.1 42.4 -16.2 -3.6 74 76 A K > - 0 0 117 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.281 28.2-100.8 -73.3 164.6 42.5 -17.0 -7.3 75 77 A D H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.907 125.6 47.6 -52.3 -44.2 40.0 -15.5 -9.8 76 78 A E H > S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.831 109.6 52.6 -68.8 -32.8 38.0 -18.8 -9.7 77 79 A E H > S+ 0 0 54 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.876 110.3 47.5 -68.6 -40.5 38.0 -19.0 -5.8 78 80 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.942 112.9 49.1 -64.7 -46.1 36.6 -15.4 -5.6 79 81 A A H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 22,-0.3 0.920 112.4 50.5 -57.3 -43.5 33.9 -16.3 -8.2 80 82 A A H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 111.5 44.0 -63.3 -47.2 33.1 -19.5 -6.1 81 83 A V H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.881 112.2 53.8 -69.6 -34.2 32.7 -17.8 -2.7 82 84 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.915 108.6 49.3 -65.0 -41.2 30.7 -15.0 -4.2 83 85 A N H X S+ 0 0 36 -4,-2.1 4,-1.7 -5,-0.2 5,-0.3 0.878 110.4 52.6 -62.8 -38.0 28.3 -17.6 -5.8 84 86 A H H X S+ 0 0 38 -4,-2.0 4,-3.2 2,-0.2 3,-0.4 0.966 111.2 44.0 -61.0 -50.5 28.1 -19.2 -2.4 85 87 A I H < S+ 0 0 11 -4,-2.9 4,-0.4 1,-0.2 6,-0.3 0.835 115.0 51.0 -67.8 -27.2 27.2 -16.0 -0.6 86 88 A A H < S+ 0 0 0 -4,-2.1 6,-2.6 -5,-0.2 -1,-0.2 0.798 125.8 22.8 -74.6 -28.2 24.7 -15.2 -3.4 87 89 A T H >< S+ 0 0 78 -4,-1.7 3,-1.2 -3,-0.4 -2,-0.2 0.713 100.9 78.0-112.0 -28.4 22.9 -18.6 -3.3 88 90 A A T 3< S+ 0 0 46 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.809 110.0 29.7 -60.5 -32.8 23.4 -20.3 0.1 89 91 A W T 3 S- 0 0 67 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 0.166 118.2-101.0-116.0 14.4 20.8 -18.1 1.8 90 92 A G S X> S+ 0 0 24 -3,-1.2 4,-0.8 -62,-0.1 3,-0.8 0.634 78.6 133.9 81.4 17.6 18.5 -17.5 -1.2 91 93 A D G >4 S+ 0 0 1 -6,-0.3 3,-0.6 1,-0.2 4,-0.5 0.900 70.5 57.8 -65.1 -38.7 19.7 -14.0 -2.0 92 94 A A G 34 S+ 0 0 18 -6,-2.6 6,-0.4 1,-0.2 3,-0.3 0.664 94.6 66.8 -64.5 -19.3 19.9 -14.8 -5.7 93 95 A K G <4 S+ 0 0 188 -3,-0.8 -1,-0.2 -7,-0.2 -2,-0.2 0.921 96.4 54.3 -66.0 -44.4 16.2 -15.8 -5.7 94 96 A K S << S+ 0 0 139 -4,-0.8 2,-0.5 -3,-0.6 -1,-0.2 0.692 97.6 80.6 -62.9 -20.2 15.2 -12.1 -5.1 95 97 A V S > S- 0 0 26 -4,-0.5 3,-1.3 -3,-0.3 2,-0.6 -0.821 86.9-120.4-102.6 122.8 17.2 -11.1 -8.2 96 98 A K T 3 S- 0 0 208 -2,-0.5 -2,-0.1 1,-0.3 -3,-0.1 -0.422 88.3 -14.2 -65.7 105.9 15.7 -11.5 -11.7 97 99 A G T 3 S- 0 0 68 -2,-0.6 -1,-0.3 1,-0.2 -4,-0.1 0.871 82.4-159.1 69.3 40.5 17.9 -13.8 -13.9 98 100 A F < - 0 0 44 -3,-1.3 -1,-0.2 -6,-0.4 -6,-0.0 -0.275 2.8-148.8 -50.7 122.1 21.0 -13.8 -11.7 99 101 A K - 0 0 157 1,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.842 23.9-111.0 -94.3 130.8 24.0 -14.8 -13.6 100 102 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 -0.202 36.1 -97.8 -56.6 149.8 26.7 -16.7 -11.6 101 103 A F - 0 0 6 -22,-0.3 2,-0.3 -23,-0.1 -18,-0.1 -0.415 44.3-160.8 -63.9 142.9 30.0 -15.0 -10.9 102 104 A T >> - 0 0 78 -2,-0.1 3,-1.2 -3,-0.1 4,-1.0 -0.952 29.3-112.1-133.4 156.4 32.8 -16.0 -13.3 103 105 A A H 3> S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.3 3,-0.4 0.802 111.9 59.4 -53.3 -40.5 36.6 -15.8 -13.2 104 106 A E H 3> S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.801 98.8 57.5 -66.1 -31.2 36.9 -13.2 -16.0 105 107 A E H <> S+ 0 0 29 -3,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.871 111.6 43.1 -61.3 -38.1 34.8 -10.7 -14.0 106 108 A V H X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.4 -2,-0.2 0.936 111.5 53.6 -74.8 -46.2 37.4 -10.9 -11.2 107 109 A K H X S+ 0 0 106 -4,-2.7 4,-0.8 1,-0.2 3,-0.2 0.894 107.1 52.4 -50.1 -47.3 40.3 -10.9 -13.5 108 110 A K H >< S+ 0 0 125 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.886 112.3 44.9 -59.0 -40.8 39.0 -7.6 -15.1 109 111 A L H >< S+ 0 0 30 -4,-1.2 3,-0.9 1,-0.2 -1,-0.2 0.695 102.1 64.3 -83.7 -19.2 38.7 -5.9 -11.7 110 112 A R H 3< S+ 0 0 83 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.743 89.8 72.5 -67.3 -23.9 42.1 -7.2 -10.5 111 113 A A T << S+ 0 0 90 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.2 0.609 96.8 49.5 -71.1 -15.0 43.6 -5.0 -13.3 112 114 A K S < S- 0 0 155 -3,-0.9 -1,-0.2 -4,-0.1 2,-0.1 -0.827 84.2-148.6-130.1 96.8 42.8 -1.8 -11.5 113 115 A K - 0 0 181 -2,-0.4 2,-0.3 -3,-0.2 -3,-0.1 -0.386 17.6-173.0 -66.4 127.6 44.0 -1.9 -7.9 114 116 A L - 0 0 17 -2,-0.1 -1,-0.0 -68,-0.1 -2,-0.0 -0.872 20.8-123.7-114.9 159.1 41.9 0.1 -5.4 115 117 A T > - 0 0 69 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.488 33.4-108.0 -85.0 162.8 42.4 0.9 -1.7 116 118 A P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 -63,-0.8 0.866 123.1 57.2 -63.8 -31.5 39.8 -0.0 0.9 117 119 A Q H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 106.1 48.8 -59.4 -42.3 38.9 3.7 1.1 118 120 A Q H > S+ 0 0 86 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.826 106.6 57.2 -66.2 -31.1 38.2 3.7 -2.6 119 121 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.923 104.7 50.8 -66.5 -42.1 36.1 0.5 -2.1 120 122 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.914 107.1 54.4 -56.4 -45.5 33.9 2.5 0.4 121 123 A A H X S+ 0 0 47 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.881 107.8 50.7 -53.8 -43.0 33.6 5.2 -2.3 122 124 A E H X S+ 0 0 54 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.901 107.4 52.3 -63.2 -41.8 32.3 2.5 -4.7 123 125 A R H ><>S+ 0 0 5 -4,-2.2 5,-1.2 1,-0.2 3,-1.2 0.924 109.2 49.8 -59.1 -46.1 29.8 1.3 -2.2 124 126 A K H ><5S+ 0 0 108 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.845 101.6 63.0 -64.6 -33.5 28.5 4.9 -1.8 125 127 A K H 3<5S+ 0 0 156 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.715 95.5 62.3 -60.8 -21.4 28.3 5.2 -5.6 126 128 A L T <<5S- 0 0 23 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.623 121.7-105.9 -76.3 -15.6 25.6 2.4 -5.4 127 129 A G T < 5S+ 0 0 38 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.551 75.3 142.4 94.6 11.4 23.3 4.5 -3.3 128 130 A L < 0 0 24 -5,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.723 360.0 360.0 -91.7 138.1 24.1 2.5 -0.2 129 131 A K 0 0 152 -2,-0.4 -1,-0.1 -72,-0.1 -71,-0.1 0.667 360.0 360.0 -97.5 360.0 24.4 4.4 3.1