==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-09 3HQ7 . COMPND 2 MOLECULE: CYTOCHROME C551 PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS; . AUTHOR M.HOFFMANN,J.SEIDEL,O.EINSLE . 304 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 58.6 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 . 15 4.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 0 1 2 0 2 1 0 4 0 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 . 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 20 A F 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 29.5 -48.3 -22.8 2 21 A A + 0 0 91 3,-0.1 3,-0.2 2,-0.0 5,-0.1 0.813 360.0 52.1 -69.9 -32.9 26.7 -45.7 -22.3 3 22 A A S S+ 0 0 39 2,-0.2 5,-0.1 1,-0.2 166,-0.0 0.179 91.3 58.9 -64.4-159.8 28.2 -45.7 -18.7 4 23 A D S S+ 0 0 69 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.754 116.5 49.9 37.6 24.8 32.1 -45.2 -18.7 5 24 A E S S+ 0 0 118 -3,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.350 101.2 50.5-173.6 -30.7 30.9 -42.0 -20.4 6 25 A L S > S+ 0 0 15 3,-0.1 4,-2.8 2,-0.1 5,-0.2 0.802 125.5 40.1 -67.9 -45.6 28.2 -40.6 -18.2 7 26 A Q H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -3,-0.1 0.760 115.0 44.9 -76.7 -34.2 31.0 -41.2 -16.0 8 27 A Q H 4 S+ 0 0 133 2,-0.2 -1,-0.2 3,-0.1 -3,-0.1 0.773 117.0 51.7 -79.4 -25.0 34.1 -40.1 -18.1 9 28 A R H >> S+ 0 0 101 -4,-0.2 3,-4.2 2,-0.2 4,-0.9 0.998 109.6 44.3 -61.9 -75.7 32.0 -37.1 -18.9 10 29 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.825 104.2 66.6 -44.0 -49.4 31.0 -36.1 -15.3 11 30 A Q H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.667 108.1 41.6 -36.7 -21.2 34.7 -36.7 -14.4 12 31 A G H <4 S+ 0 0 62 -3,-4.2 -2,-0.2 1,-0.1 -1,-0.2 0.894 114.5 45.4-101.4 -50.7 35.3 -33.7 -16.6 13 32 A L H < S+ 0 0 65 -4,-0.9 181,-2.2 181,-0.1 2,-0.3 0.276 119.2 37.2 -71.7 -1.5 32.4 -31.3 -15.7 14 33 A F < - 0 0 5 -4,-1.3 181,-0.2 -5,-0.2 182,-0.0 -0.985 60.5-157.2-154.3 145.9 32.9 -31.8 -11.8 15 34 A K - 0 0 145 -2,-0.3 2,-0.2 179,-0.3 182,-0.2 -0.916 29.2-111.4-121.3 151.5 35.7 -32.3 -9.3 16 35 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 179,-0.1 -0.495 36.7 -91.2 -83.1 161.6 35.4 -33.9 -5.8 17 36 A V - 0 0 1 139,-0.2 141,-0.4 -2,-0.2 142,-0.0 -0.529 55.0-114.1 -68.2 128.1 35.7 -32.3 -2.5 18 37 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 137,-0.0 -0.232 15.1-116.1 -65.1 151.1 39.4 -32.6 -1.5 19 38 A A S S+ 0 0 97 -3,-0.1 2,-0.3 137,-0.1 136,-0.1 0.800 94.6 36.5 -45.6 -40.9 40.6 -34.7 1.4 20 39 A K S S- 0 0 167 1,-0.1 133,-0.0 0, 0.0 0, 0.0 -0.769 96.6 -82.0-127.8 159.5 41.9 -31.7 3.3 21 40 A A - 0 0 36 -2,-0.3 132,-0.1 1,-0.1 2,-0.1 -0.364 51.5-116.7 -61.8 137.3 41.1 -28.0 3.9 22 41 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.398 28.6 -96.6 -74.2 152.6 42.2 -25.7 1.3 23 42 A T - 0 0 134 -2,-0.1 2,-0.4 1,-0.0 126,-0.0 -0.444 31.5-147.9 -58.3 126.9 44.7 -22.9 1.6 24 43 A L B > -A 27 0A 43 3,-0.5 3,-1.3 -2,-0.2 2,-0.3 -0.867 23.2-114.4-104.9 141.9 43.5 -19.4 2.2 25 44 A K T 3 S+ 0 0 216 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.591 98.6 5.6 -84.5 130.7 45.4 -16.6 0.8 26 45 A G T 3 S+ 0 0 65 -2,-0.3 -1,-0.3 1,-0.0 119,-0.0 0.447 121.0 79.5 82.5 6.5 47.0 -14.3 3.4 27 46 A N B < -A 24 0A 7 -3,-1.3 -3,-0.5 121,-0.0 -2,-0.0 -0.622 64.0-164.3-168.0 60.2 45.8 -16.8 6.2 28 47 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 121,-0.1 -0.158 22.9-118.4 -55.9 150.4 47.7 -20.0 6.9 29 48 A A + 0 0 75 -8,-0.1 3,-0.1 4,-0.1 117,-0.0 -0.547 35.5 166.7 -99.6 152.7 46.1 -22.8 8.9 30 49 A S > - 0 0 38 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.917 48.8-109.7-159.6 151.3 47.4 -24.1 12.2 31 50 A P H > S+ 0 0 122 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.898 120.3 47.3 -42.1 -53.4 45.9 -26.3 14.9 32 51 A V H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 98,-0.2 0.859 111.4 46.6 -59.7 -48.0 45.7 -23.2 17.2 33 52 A K H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.857 113.5 51.5 -65.9 -33.8 44.1 -20.8 14.7 34 53 A V H X S+ 0 0 38 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.907 110.7 47.8 -66.5 -38.4 41.6 -23.5 13.8 35 54 A E H X S+ 0 0 72 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.969 114.7 46.6 -65.7 -49.4 40.9 -24.0 17.6 36 55 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.912 109.7 53.1 -51.3 -52.6 40.5 -20.2 18.0 37 56 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 109,-0.3 -1,-0.2 0.865 110.9 47.7 -58.6 -36.3 38.3 -20.0 14.9 38 57 A K H X S+ 0 0 23 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.902 107.9 54.0 -75.7 -37.8 36.0 -22.6 16.3 39 58 A M H >X S+ 0 0 21 -4,-2.3 4,-1.0 1,-0.2 3,-0.6 0.970 113.7 43.9 -52.8 -53.4 35.8 -21.0 19.7 40 59 A L H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.2 14,-0.3 0.901 107.2 57.7 -60.2 -44.6 34.7 -17.8 18.0 41 60 A Y H 3< S+ 0 0 2 -4,-2.3 13,-1.4 -5,-0.3 14,-1.4 0.804 115.5 37.5 -58.2 -34.4 32.3 -19.4 15.6 42 61 A F H << S+ 0 0 5 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.547 91.8 104.6 -93.2 -2.1 30.4 -20.9 18.6 43 62 A D X< - 0 0 4 -4,-1.0 3,-1.7 -3,-0.9 4,-0.2 -0.587 49.7-166.4 -87.6 110.7 30.7 -17.9 21.0 44 63 A P G > S+ 0 0 43 0, 0.0 3,-1.8 0, 0.0 6,-0.6 0.682 77.9 88.2 -78.1 -2.7 27.4 -16.0 21.2 45 64 A R G 3 S+ 0 0 29 1,-0.3 71,-0.1 5,-0.2 8,-0.1 0.610 70.9 73.4 -61.8 -12.7 29.5 -13.2 22.9 46 65 A L G < S+ 0 0 17 -3,-1.7 2,-0.3 -6,-0.2 -1,-0.3 0.713 88.0 71.6 -70.9 -21.2 30.1 -11.9 19.3 47 66 A S S X S- 0 0 1 -3,-1.8 3,-1.1 5,-0.5 61,-0.2 -0.694 91.5-124.4 -88.7 148.4 26.4 -10.6 19.3 48 67 A A T 3 S+ 0 0 9 59,-3.7 257,-2.4 -2,-0.3 60,-0.1 0.901 112.9 51.4 -62.3 -34.5 25.6 -7.6 21.5 49 68 A S T 3 S- 0 0 35 58,-0.4 -1,-0.2 255,-0.3 -4,-0.1 0.587 101.6-131.0 -75.0 -15.8 22.9 -9.7 23.1 50 69 A H S < S+ 0 0 38 -3,-1.1 -5,-0.2 -6,-0.6 -2,-0.1 0.698 86.4 97.8 67.5 25.5 25.1 -12.9 24.0 51 70 A L + 0 0 135 -7,-0.4 2,-0.4 1,-0.2 -6,-0.1 0.711 68.0 59.0-114.2 -28.4 22.4 -14.9 22.4 52 71 A I + 0 0 59 -8,-0.6 -5,-0.5 55,-0.1 2,-0.2 -0.874 47.6 167.9-118.9 133.7 23.6 -15.6 18.8 53 72 A S > - 0 0 21 -2,-0.4 4,-0.8 -7,-0.1 3,-0.4 -0.606 53.2 -96.4-118.3-176.0 26.7 -17.3 17.4 54 73 A C H > S+ 0 0 31 -13,-1.4 4,-2.3 -14,-0.3 3,-0.5 0.900 124.0 59.5 -73.4 -34.3 27.4 -18.4 13.8 55 74 A N H 4 S+ 0 0 21 -14,-1.4 -1,-0.2 1,-0.2 -13,-0.1 0.697 88.5 71.7 -59.9 -26.0 26.2 -21.9 14.7 56 75 A T H 4 S+ 0 0 74 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.958 119.2 18.2 -55.4 -50.6 22.8 -20.5 15.6 57 76 A C H < S+ 0 0 29 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.627 131.9 47.0 -95.2 -16.5 22.2 -20.0 11.9 58 77 A H S < S- 0 0 33 -4,-2.3 2,-0.5 -5,-0.1 7,-0.2 -0.609 79.2-172.0-125.3 74.4 24.8 -22.3 10.5 59 78 A N B > > -B 65 0B 46 6,-2.1 5,-2.7 -3,-0.3 3,-1.4 -0.520 16.4-157.8 -85.3 112.9 24.4 -25.4 12.5 60 79 A V T 3 5S+ 0 0 20 -2,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.631 91.5 50.6 -66.4 -16.0 27.0 -28.0 11.9 61 80 A G T 3 5S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.464 110.8 48.2 -99.5 1.1 24.9 -30.8 13.1 62 81 A L T X 5S- 0 0 84 -3,-1.4 3,-0.6 3,-0.2 5,-0.2 -0.290 133.0 -72.2-129.6 45.1 21.9 -30.0 11.0 63 82 A G T 3 5S- 0 0 2 -3,-0.4 24,-0.4 1,-0.2 -3,-0.2 0.399 76.5 -76.5 77.4 6.6 23.5 -29.5 7.5 64 83 A G T 3 S- 0 0 31 32,-0.1 3,-1.6 1,-0.1 29,-0.2 -0.953 70.0-135.5-127.6 141.0 24.6 -10.2 7.5 75 94 A K T 3 S+ 0 0 129 27,-1.5 -1,-0.1 -2,-0.3 28,-0.1 0.796 101.2 65.8 -74.0 -30.1 24.6 -6.3 7.2 76 95 A W T 3 S+ 0 0 130 21,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.422 80.6 110.3 -63.6 -4.0 24.6 -6.3 3.4 77 96 A Q < - 0 0 29 -3,-1.6 4,-0.0 1,-0.1 -5,-0.0 -0.673 58.2-155.2 -90.3 133.9 21.1 -7.9 3.3 78 97 A Q S S- 0 0 192 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.293 75.6 -37.1 -87.4 9.8 18.1 -6.0 2.2 79 98 A G S S- 0 0 25 -8,-0.1 -1,-0.2 2,-0.0 -8,-0.1 -0.810 99.5 -23.7 149.5 178.1 15.8 -8.3 4.2 80 99 A P + 0 0 80 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 -0.052 59.6 173.4 -53.9 133.5 15.4 -11.9 5.3 81 100 A I B -C 71 0C 72 -10,-2.7 -10,-3.6 -4,-0.0 2,-0.4 -0.914 41.1 -88.6-131.4 160.7 17.1 -14.4 3.0 82 101 A N - 0 0 25 162,-2.2 -12,-0.2 -2,-0.3 -13,-0.1 -0.588 45.1-115.8 -65.5 131.2 17.5 -18.1 3.4 83 102 A A - 0 0 13 -2,-0.4 -17,-0.4 -15,-0.3 -16,-0.2 -0.511 28.9-141.5 -72.5 117.0 20.7 -19.1 5.3 84 103 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.279 28.2 -93.1 -73.7 168.8 23.1 -21.0 3.1 85 104 A T - 0 0 29 1,-0.2 -20,-0.2 2,-0.1 -21,-0.2 -0.399 18.2-147.8 -79.6 149.4 25.0 -23.9 4.4 86 105 A V > + 0 0 5 -22,-0.8 3,-2.0 -3,-0.1 4,-0.4 0.615 69.5 111.7 -81.2 -14.3 28.5 -23.2 5.7 87 106 A L T 3 S- 0 0 5 -24,-0.4 68,-0.2 1,-0.3 -2,-0.1 -0.427 97.6 -8.4 -69.0 134.3 29.4 -26.6 4.6 88 107 A N T > S+ 0 0 1 66,-2.9 3,-1.5 63,-0.2 -1,-0.3 0.565 95.4 132.5 53.4 11.3 31.8 -26.4 1.6 89 108 A S G X + 0 0 34 -3,-2.0 3,-1.8 65,-0.3 -2,-0.1 0.764 56.7 74.2 -55.2 -25.8 31.2 -22.6 1.6 90 109 A V G 3 S+ 0 0 41 -4,-0.4 -1,-0.3 1,-0.3 62,-0.1 0.775 90.8 55.8 -64.9 -16.9 34.9 -22.1 1.4 91 110 A F G < S+ 0 0 41 -3,-1.5 -1,-0.3 104,-0.0 -2,-0.2 0.515 92.8 98.9 -95.7 -8.5 34.8 -23.2 -2.3 92 111 A N < - 0 0 40 -3,-1.8 108,-0.2 -4,-0.2 107,-0.1 -0.119 58.0-158.6 -74.8 173.4 32.3 -20.6 -3.3 93 112 A T 0 0 96 106,-1.3 -3,-0.1 108,-0.1 -2,-0.0 -0.607 360.0 360.0-155.6 71.4 32.6 -17.1 -4.9 94 113 A A 0 0 65 -5,-0.1 106,-0.1 135,-0.1 135,-0.1 -0.208 360.0 360.0-151.8 360.0 29.1 -15.8 -3.6 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 127 A A 0 0 96 0, 0.0 45,-0.0 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 36.9 35.3 -5.6 6.1 97 128 A K + 0 0 198 4,-0.0 -21,-0.1 -21,-0.0 0, 0.0 0.558 360.0 93.9-105.8 -18.0 33.0 -6.8 3.1 98 129 A G S > S- 0 0 22 4,-0.0 4,-2.5 3,-0.0 5,-0.3 -0.095 90.0 -88.9 -91.1 169.5 33.0 -10.5 4.0 99 130 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.835 119.0 45.9 -51.1 -51.6 30.7 -12.9 6.0 100 131 A V H >> S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 3,-0.7 0.968 116.6 45.7 -56.8 -52.7 32.2 -12.6 9.6 101 132 A Q H 3> S+ 0 0 14 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.899 111.5 51.3 -59.2 -40.6 32.3 -8.7 9.4 102 133 A A H 3X S+ 0 0 9 -4,-2.5 -27,-1.5 1,-0.2 4,-0.8 0.782 113.1 47.3 -68.8 -25.0 28.9 -8.4 7.9 103 134 A S H - 0 0 67 -2,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.963 32.5-117.5-123.2 151.5 30.1 -3.2 16.5 110 141 A P H > S+ 0 0 42 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.896 115.0 59.9 -45.5 -45.7 33.8 -4.2 15.7 111 142 A D H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.848 104.5 42.8 -45.4 -57.9 34.6 -2.1 18.8 112 143 A Q H > S+ 0 0 65 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.808 113.8 55.7 -66.7 -31.3 32.6 -4.0 21.4 113 144 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.955 111.4 40.7 -65.7 -50.8 33.8 -7.3 19.8 114 145 A V H X S+ 0 0 33 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.932 114.1 53.0 -62.0 -45.7 37.5 -6.4 20.2 115 146 A K H X S+ 0 0 122 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.968 111.2 50.5 -54.2 -46.4 36.8 -4.9 23.7 116 147 A T H < S+ 0 0 3 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.850 112.4 43.3 -56.8 -44.6 35.2 -8.3 24.5 117 148 A L H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 7,-0.4 0.856 111.8 52.9 -72.0 -39.6 38.1 -10.4 23.2 118 149 A N H 3< S+ 0 0 75 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.778 102.0 64.4 -57.8 -26.8 40.8 -8.2 24.9 119 150 A S T 3< S+ 0 0 14 -4,-1.4 181,-0.3 -5,-0.3 182,-0.2 0.595 92.6 65.9 -78.8 -11.4 38.8 -8.7 28.1 120 151 A I S X> S- 0 0 3 -3,-0.9 4,-1.8 -4,-0.3 3,-1.2 -0.936 70.2-152.0-116.7 110.2 39.4 -12.4 28.4 121 152 A P H 3> S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.847 92.4 57.8 -51.3 -39.7 43.0 -13.5 29.0 122 153 A D H 3> S+ 0 0 101 1,-0.2 4,-1.6 174,-0.2 5,-0.1 0.800 106.8 48.3 -57.9 -35.3 42.6 -16.9 27.3 123 154 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.9 -6,-0.2 -1,-0.2 0.900 109.3 52.6 -75.6 -44.4 41.5 -15.3 24.0 124 155 A V H X S+ 0 0 28 -4,-1.8 4,-2.1 -7,-0.4 -2,-0.2 0.913 110.4 48.4 -52.2 -43.5 44.4 -12.8 24.0 125 156 A A H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.856 111.7 49.0 -68.8 -42.8 46.8 -15.7 24.5 126 157 A L H X S+ 0 0 26 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.889 108.8 53.0 -65.6 -41.9 45.2 -17.7 21.6 127 158 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.897 109.4 51.1 -53.8 -41.9 45.3 -14.6 19.3 128 159 A K H < S+ 0 0 125 -4,-2.1 -2,-0.2 -5,-0.2 6,-0.2 0.881 113.1 42.7 -67.2 -47.4 49.0 -14.4 20.2 129 160 A K H < S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.848 118.1 45.3 -56.4 -40.4 49.7 -18.1 19.3 130 161 A A H < S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.725 126.9 29.6 -82.6 -25.4 47.6 -18.0 16.1 131 162 A F S >< S- 0 0 9 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.3 -0.541 88.9-175.5-127.7 75.9 49.0 -14.7 14.9 132 163 A P T 3 + 0 0 97 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.100 58.4 29.6 -79.4 163.0 52.5 -14.6 16.3 133 164 A G T 3 S+ 0 0 90 1,-0.2 2,-0.5 -5,-0.1 3,-0.1 0.653 86.9 129.9 66.4 19.4 55.1 -11.7 16.1 134 165 A E < - 0 0 84 -3,-0.7 -1,-0.2 -6,-0.2 -3,-0.1 -0.917 57.4-145.2-104.6 133.3 52.3 -9.1 16.0 135 166 A K S S+ 0 0 211 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.951 99.4 13.5 -56.0 -58.3 52.3 -6.2 18.4 136 167 A D + 0 0 89 1,-0.1 -1,-0.3 -3,-0.1 -8,-0.0 -0.815 69.8 168.7-122.5 93.9 48.5 -6.3 18.7 137 168 A P + 0 0 2 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.566 55.0 92.5 -79.2 -8.7 47.1 -9.6 17.3 138 169 A V + 0 0 2 4,-0.1 2,-0.3 3,-0.0 -20,-0.1 -0.684 60.4 140.6 -91.4 85.9 43.5 -9.0 18.7 139 170 A T > - 0 0 44 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.825 66.6-117.8-122.8 162.7 42.0 -7.4 15.8 140 171 A F H > S+ 0 0 30 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.911 120.1 47.2 -59.5 -36.4 38.6 -7.5 14.0 141 172 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 109.8 51.4 -78.6 -41.1 40.5 -8.7 10.9 142 173 A N H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 109.1 53.3 -56.8 -43.1 42.5 -11.4 12.8 143 174 A M H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.902 109.3 46.3 -61.5 -49.5 39.1 -12.6 14.3 144 175 A A H X S+ 0 0 1 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.958 110.8 54.3 -58.8 -45.2 37.5 -13.1 10.9 145 176 A K H X S+ 0 0 48 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.822 107.7 49.4 -54.7 -42.1 40.6 -14.8 9.6 146 177 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -109,-0.3 0.919 112.7 47.2 -64.9 -46.1 40.5 -17.4 12.5 147 178 A I H >X S+ 0 0 2 -4,-1.8 4,-3.4 2,-0.2 3,-0.6 0.972 109.9 53.3 -56.4 -54.8 36.9 -18.1 11.9 148 179 A E H 3X S+ 0 0 60 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.844 107.1 52.0 -45.7 -40.2 37.5 -18.5 8.0 149 180 A V H 3< S+ 0 0 5 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.835 111.3 46.7 -72.5 -29.8 40.3 -21.1 8.8 150 181 A F H X< S+ 0 0 7 -4,-1.5 3,-1.0 -3,-0.6 4,-0.4 0.872 111.2 52.0 -71.6 -44.5 37.8 -23.0 10.9 151 182 A E H >< S+ 0 0 33 -4,-3.4 3,-2.8 1,-0.2 -61,-0.3 0.946 99.6 64.5 -52.5 -45.1 35.2 -22.7 8.1 152 183 A A T 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 98.5 54.1 -51.6 -25.9 37.8 -24.0 5.7 153 184 A T T < S+ 0 0 51 -3,-1.0 2,-1.8 -4,-0.4 -1,-0.3 0.572 84.7 94.0 -84.8 -5.7 37.7 -27.3 7.6 154 185 A L < + 0 0 1 -3,-2.8 -66,-2.9 -4,-0.4 -65,-0.3 -0.391 58.6 125.2 -93.2 65.8 33.9 -27.5 7.2 155 186 A I - 0 0 10 -2,-1.8 -68,-0.1 -68,-0.2 -134,-0.1 -0.818 55.1-137.1-121.6 160.2 33.9 -29.6 4.2 156 187 A T - 0 0 1 -2,-0.3 3,-0.4 130,-0.1 -139,-0.2 -0.639 23.9-175.1-125.1 74.2 32.2 -32.8 3.3 157 188 A P + 0 0 25 0, 0.0 128,-3.3 0, 0.0 -138,-0.1 -0.099 56.0 31.2 -53.1 158.9 34.4 -35.3 1.5 158 189 A D + 0 0 49 -141,-0.4 125,-0.1 126,-0.2 124,-0.0 0.601 59.7 164.4 62.9 40.8 33.1 -38.6 0.1 159 190 A S > - 0 0 0 -3,-0.4 4,-1.8 123,-0.1 3,-0.4 -0.415 58.6 -97.9 -68.5 154.6 29.5 -38.4 -0.9 160 191 A P H >> S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.904 127.2 52.6 -40.4 -48.8 28.3 -41.3 -3.1 161 192 A F H >> S+ 0 0 0 120,-1.9 4,-2.3 1,-0.2 3,-0.9 0.939 106.3 50.2 -58.1 -45.5 28.8 -39.0 -6.1 162 193 A D H 3> S+ 0 0 0 -3,-0.4 4,-0.6 119,-0.3 -1,-0.2 0.833 107.4 54.9 -60.2 -29.9 32.5 -38.1 -5.2 163 194 A Q H <<>S+ 0 0 59 -4,-1.8 5,-0.6 -3,-0.5 -1,-0.3 0.787 110.0 49.1 -75.6 -24.8 33.2 -41.7 -4.9 164 195 A Y H X<5S+ 0 0 2 -4,-1.3 3,-3.2 -3,-0.9 -2,-0.2 0.961 108.3 48.1 -76.1 -64.1 31.8 -42.0 -8.4 165 196 A L H 3<5S+ 0 0 10 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.735 108.9 61.5 -51.3 -16.8 33.8 -39.2 -10.1 166 197 A K T 3<5S- 0 0 111 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.680 132.2 -83.9 -83.7 -13.7 36.7 -40.8 -8.3 167 198 A G T < 5S+ 0 0 32 -3,-3.2 -3,-0.2 1,-0.3 -4,-0.1 -0.450 93.1 108.4 150.4 -80.2 36.3 -44.1 -10.2 168 199 A K < - 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