==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAR-02 1GWE . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROCOCCUS LUTEUS; . AUTHOR G.N.MURSHUDOV,A.I.GREBENKO,J.A.BRANNIGAN,A.A.ANTSON, . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 59.4 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 . 73 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 2 0 0 0 2 2 2 1 1 0 1 1 0 1 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 . 5 2 0 1 0 3 0 1 2 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 0 0 0 0 0 1 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 6 A T 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.4 -12.0 18.2 -29.3 2 7 A T > - 0 0 77 1,-0.1 3,-1.8 0, 0.0 0, 0.0 -0.558 360.0-102.5 -96.6 161.7 -15.5 16.9 -28.3 3 8 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.806 122.4 34.5 -56.5 -32.8 -18.8 18.9 -28.8 4 9 A H T 3 S+ 0 0 158 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.114 88.1 146.2-109.9 21.6 -18.9 19.8 -25.1 5 10 A A < - 0 0 40 -3,-1.8 4,-0.1 1,-0.1 9,-0.0 -0.210 28.4-174.8 -63.2 152.4 -15.2 20.2 -24.5 6 11 A T - 0 0 72 2,-0.5 -1,-0.1 12,-0.0 3,-0.1 0.416 60.0 -83.4-125.6 -7.2 -13.9 22.7 -22.0 7 12 A G S S+ 0 0 78 1,-0.2 2,-0.3 11,-0.1 -2,-0.1 0.232 105.1 28.6 119.9 -12.4 -10.0 22.4 -22.4 8 13 A S - 0 0 35 5,-0.0 8,-2.3 0, 0.0 -2,-0.5 -0.959 69.7-132.4-165.5 168.2 -9.3 19.5 -20.1 9 14 A T B -A 15 0A 80 6,-0.3 2,-0.1 -2,-0.3 5,-0.0 -0.788 15.7-116.4-124.7 165.4 -11.0 16.3 -18.8 10 15 A R > - 0 0 67 4,-2.6 3,-1.6 -2,-0.3 6,-0.1 -0.229 55.8 -84.1 -78.7-175.9 -11.6 14.4 -15.6 11 16 A Q T 3 S+ 0 0 141 1,-0.3 26,-0.0 2,-0.1 5,-0.0 0.781 130.2 57.5 -69.4 -22.4 -10.1 10.9 -15.2 12 17 A N T 3 S- 0 0 108 2,-0.1 -1,-0.3 3,-0.0 0, 0.0 0.404 119.7-107.3 -85.0 2.6 -13.1 9.4 -17.1 13 18 A G S < S+ 0 0 48 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.380 77.5 131.3 87.2 -4.7 -12.4 11.6 -20.1 14 19 A A S S- 0 0 29 1,-0.1 -4,-2.6 2,-0.0 -1,-0.3 -0.529 72.5 -83.6 -78.8 150.9 -15.4 13.9 -19.6 15 20 A P B -A 9 0A 33 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.217 32.9-147.2 -52.8 137.5 -14.9 17.6 -19.7 16 21 A A - 0 0 8 -8,-2.3 2,-2.1 1,-0.1 -7,-0.2 0.640 14.2-151.6 -85.0 -18.9 -13.6 19.0 -16.4 17 22 A V S S+ 0 0 121 -9,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.327 71.0 18.5 79.1 -54.1 -15.4 22.4 -16.6 18 23 A S - 0 0 41 -2,-2.1 -11,-0.1 1,-0.1 19,-0.0 -0.934 39.7-179.1-152.6 132.8 -12.8 24.2 -14.5 19 24 A D S S+ 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.195 94.0 48.4 -96.0 11.5 -9.2 23.6 -13.3 20 25 A R S S+ 0 0 221 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.543 104.2 44.1-132.9 -14.7 -9.4 27.0 -11.4 21 26 A Q - 0 0 152 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.999 68.4-130.5-141.4 140.9 -12.6 27.2 -9.3 22 27 A S - 0 0 45 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.0 -0.383 34.6 -95.6 -85.3 164.8 -14.3 24.8 -7.0 23 28 A L + 0 0 83 9,-0.2 9,-2.3 -2,-0.1 2,-0.3 -0.722 55.5 170.4 -89.4 113.0 -18.1 24.0 -7.0 24 29 A T B -B 31 0B 52 -2,-0.7 2,-1.2 7,-0.2 7,-0.2 -0.814 46.4-104.9-125.1 160.2 -19.9 26.1 -4.5 25 30 A V S > S- 0 0 94 5,-1.6 4,-0.7 -2,-0.3 3,-0.2 -0.719 97.5 -33.9 -83.4 94.5 -23.4 27.1 -3.4 26 31 A G T >4 S- 0 0 52 -2,-1.2 3,-0.7 1,-0.2 0, 0.0 0.017 95.3 -66.4 67.9 173.0 -23.4 30.5 -4.9 27 32 A S T 34 S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.821 137.9 39.7 -62.5 -30.3 -20.2 32.6 -5.0 28 33 A E T 34 S+ 0 0 173 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.486 99.0 96.6 -99.2 -5.6 -20.1 32.9 -1.2 29 34 A G S << S- 0 0 24 -3,-0.7 -3,-0.1 -4,-0.7 3,-0.1 -0.132 77.8 -78.9 -88.8 179.5 -21.2 29.4 -0.2 30 35 A P - 0 0 95 0, 0.0 -5,-1.6 0, 0.0 2,-0.3 -0.258 46.9 -98.7 -72.7 160.5 -19.4 26.2 0.8 31 36 A I B -B 24 0B 91 -7,-0.2 -7,-0.2 1,-0.1 2,-0.2 -0.601 41.9-125.6 -72.5 135.2 -17.8 23.7 -1.5 32 37 A V > - 0 0 34 -9,-2.3 3,-1.5 -2,-0.3 -9,-0.2 -0.578 10.8-123.8 -84.1 150.0 -20.0 20.7 -2.1 33 38 A L T 3 S+ 0 0 151 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.835 106.4 66.9 -57.4 -34.2 -18.9 17.2 -1.5 34 39 A H T 3 + 0 0 133 1,-0.1 2,-1.9 4,-0.0 -1,-0.3 0.188 58.0 120.3 -87.1 24.5 -19.7 16.3 -5.1 35 40 A D <> + 0 0 18 -3,-1.5 4,-2.4 1,-0.2 5,-0.1 -0.621 39.6 174.9 -76.7 82.0 -17.0 18.5 -6.7 36 41 A T H > S+ 0 0 65 -2,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.765 70.7 55.2 -69.9 -26.3 -15.6 15.3 -8.2 37 42 A H H > S+ 0 0 17 2,-0.2 4,-2.4 -3,-0.2 5,-0.3 0.911 109.1 47.4 -72.8 -41.6 -12.9 17.1 -10.2 38 43 A L H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.937 115.6 47.1 -58.1 -46.8 -11.6 18.8 -7.0 39 44 A L H X S+ 0 0 71 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.943 113.3 45.9 -62.0 -50.8 -11.6 15.3 -5.3 40 45 A E H X S+ 0 0 54 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.935 115.6 46.2 -61.0 -45.2 -9.9 13.4 -8.1 41 46 A T H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.907 117.1 42.9 -68.2 -39.7 -7.2 16.1 -8.6 42 47 A H H X S+ 0 0 101 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.901 112.6 52.1 -71.9 -40.5 -6.5 16.4 -4.8 43 48 A Q H < S+ 0 0 104 -4,-3.0 4,-0.2 -5,-0.3 -2,-0.2 0.871 113.6 45.2 -63.8 -33.4 -6.6 12.7 -4.2 44 49 A H H >< S+ 0 0 108 -4,-2.0 3,-2.0 -5,-0.3 4,-0.3 0.939 110.6 52.7 -72.5 -45.2 -4.1 12.1 -7.0 45 50 A F H >< S+ 0 0 136 -4,-2.4 3,-1.4 1,-0.3 4,-0.4 0.911 106.9 54.4 -49.3 -44.0 -1.9 15.0 -5.8 46 51 A N T 3< S+ 0 0 111 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.532 112.7 43.3 -70.4 -8.2 -1.9 13.3 -2.3 47 52 A R T < S+ 0 0 158 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.129 84.2 97.3-123.6 15.5 -0.6 10.1 -4.0 48 53 A M < + 0 0 101 -3,-1.4 2,-0.2 -4,-0.3 -2,-0.1 0.895 68.9 77.3 -69.2 -44.5 2.0 11.5 -6.3 49 54 A N - 0 0 149 -4,-0.4 3,-0.0 3,-0.0 0, 0.0 -0.462 61.6-172.0 -71.5 142.6 4.9 10.9 -3.9 50 55 A I - 0 0 44 -2,-0.2 295,-0.1 1,-0.0 296,-0.1 -0.877 43.1 -75.2-125.4 159.3 6.3 7.3 -3.6 51 56 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.324 54.4-121.4 -53.4 134.2 8.9 6.1 -1.1 52 57 A E - 0 0 58 1,-0.1 5,-0.1 -3,-0.0 6,-0.1 -0.380 38.7 -85.1 -70.2 157.9 12.3 7.3 -2.2 53 58 A R - 0 0 22 4,-0.2 4,-0.4 3,-0.2 -1,-0.1 -0.344 41.1-121.3 -59.2 145.5 15.0 4.7 -2.9 54 59 A R S S+ 0 0 166 2,-0.2 2,-0.1 -3,-0.1 43,-0.1 -0.965 93.9 7.0-125.8 116.0 16.9 3.4 0.1 55 60 A P S S+ 0 0 18 0, 0.0 42,-0.2 0, 0.0 41,-0.1 0.666 132.8 35.7 -78.6-164.5 19.9 4.0 -0.6 56 61 A H + 0 0 35 40,-2.1 -3,-0.2 -2,-0.1 -2,-0.2 0.747 64.3 151.1 73.8 32.8 20.5 6.1 -3.7 57 62 A A + 0 0 0 39,-0.6 2,-0.7 41,-0.4 -4,-0.2 0.833 55.8 65.8 -58.8 -41.8 17.5 8.4 -3.4 58 63 A K S S+ 0 0 2 40,-0.6 37,-2.1 45,-0.1 2,-0.3 -0.798 76.1 100.8 -96.2 114.9 19.0 11.4 -5.2 59 64 A G E -C 94 0C 0 -2,-0.7 2,-0.3 35,-0.2 35,-0.2 -0.981 39.4-159.8-173.2 175.5 19.8 10.9 -8.9 60 65 A S E -C 93 0C 9 33,-1.7 33,-3.1 -2,-0.3 2,-0.3 -0.926 15.4-179.1-159.7 179.9 19.0 11.3 -12.5 61 66 A G E -C 92 0C 1 -2,-0.3 2,-0.3 31,-0.3 31,-0.2 -0.943 14.9-133.2-170.3-170.9 19.9 9.7 -15.8 62 67 A A E -C 91 0C 0 29,-1.9 29,-2.6 -2,-0.3 239,-0.2 -0.976 22.7-110.8-158.6 160.3 19.7 9.4 -19.6 63 68 A F E +CD 90 300C 8 237,-3.0 236,-2.5 -2,-0.3 237,-1.9 -0.579 44.9 136.4 -94.5 159.5 19.2 6.8 -22.4 64 69 A G E -CD 89 298C 6 25,-2.3 25,-2.3 234,-0.3 2,-0.3 -0.812 42.0 -85.1-169.9-150.9 21.9 5.7 -24.9 65 70 A E E -CD 88 297C 76 232,-2.5 232,-2.7 23,-0.3 2,-0.4 -0.998 15.9-147.1-145.1 143.5 23.5 2.9 -26.7 66 71 A F E -CD 87 296C 0 21,-2.7 21,-2.4 -2,-0.3 2,-0.5 -0.944 16.4-165.1-107.6 134.0 26.2 0.3 -26.1 67 72 A E E -CD 86 295C 78 228,-2.6 228,-2.3 -2,-0.4 2,-0.4 -0.977 13.7-141.2-120.8 120.2 28.3 -0.9 -29.1 68 73 A V E + D 0 294C 2 17,-2.6 16,-0.3 -2,-0.5 226,-0.3 -0.655 26.4 168.6 -75.9 129.8 30.5 -4.0 -28.9 69 74 A T + 0 0 61 224,-2.1 2,-0.2 -2,-0.4 225,-0.2 0.343 58.0 51.0-124.1 0.3 33.7 -3.4 -30.8 70 75 A E S S- 0 0 93 223,-1.5 2,-0.7 11,-0.1 14,-0.3 -0.770 84.1-106.5-129.9 173.3 35.8 -6.4 -29.7 71 76 A D + 0 0 98 -2,-0.2 3,-0.2 1,-0.1 11,-0.1 -0.902 44.7 151.4-111.6 103.9 35.3 -10.2 -29.6 72 77 A V >> + 0 0 1 -2,-0.7 3,-2.0 9,-0.6 4,-1.6 0.057 36.0 117.7-113.0 21.5 34.7 -11.6 -26.1 73 78 A S T 34 + 0 0 42 1,-0.3 132,-0.5 2,-0.2 -1,-0.1 0.747 65.8 67.4 -62.9 -22.2 32.6 -14.5 -27.3 74 79 A K T 34 S+ 0 0 134 1,-0.2 -1,-0.3 -3,-0.2 130,-0.2 0.722 110.4 36.7 -69.2 -17.9 35.2 -17.0 -26.0 75 80 A Y T <4 S+ 0 0 33 -3,-2.0 2,-0.3 1,-0.3 135,-0.3 0.741 125.8 21.6-100.4 -34.3 34.2 -15.7 -22.5 76 81 A T < - 0 0 0 -4,-1.6 128,-0.3 126,-0.1 -1,-0.3 -1.000 41.7-160.8-143.0 144.4 30.4 -15.2 -22.9 77 82 A K + 0 0 62 126,-2.4 127,-0.1 -2,-0.3 245,-0.1 0.321 52.1 135.1 -90.5 0.1 27.4 -16.3 -25.0 78 83 A A > - 0 0 0 244,-0.3 3,-1.4 125,-0.3 4,-0.3 -0.310 56.4-138.8 -60.2 132.0 25.4 -13.3 -23.9 79 84 A L G > S+ 0 0 75 242,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.891 99.5 60.3 -58.0 -42.4 23.6 -11.7 -26.9 80 85 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 36,-0.1 -12,-0.1 0.762 109.4 43.1 -58.0 -29.4 24.3 -8.2 -25.7 81 86 A F G < S+ 0 0 0 -3,-1.4 -9,-0.6 -9,-0.1 -1,-0.3 0.245 84.1 118.2-107.0 14.8 28.1 -8.8 -25.8 82 87 A Q S X S- 0 0 48 -3,-1.7 3,-2.1 -4,-0.3 -14,-0.2 -0.432 81.5 -68.8 -76.0 156.0 28.5 -10.7 -29.1 83 88 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 -12,-0.1 -0.070 115.6 0.8 -48.7 133.9 30.6 -9.1 -31.8 84 89 A G T 3 S+ 0 0 57 -14,-0.3 2,-0.2 -16,-0.3 -15,-0.1 0.374 88.8 153.1 77.3 -4.2 29.2 -5.9 -33.4 85 90 A T < - 0 0 41 -3,-2.1 -17,-2.6 -6,-0.1 2,-0.4 -0.402 27.5-162.4 -71.0 133.9 26.0 -5.8 -31.2 86 91 A K E -C 67 0C 121 -19,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.944 13.3-179.2-111.9 132.5 24.4 -2.5 -30.5 87 92 A T E -C 66 0C 10 -21,-2.4 -21,-2.7 -2,-0.4 31,-0.1 -0.994 28.5-116.2-136.9 135.0 21.9 -2.3 -27.6 88 93 A E E -C 65 0C 52 29,-0.4 29,-2.8 -2,-0.4 2,-0.3 -0.415 39.5-168.0 -65.7 144.0 19.8 0.5 -26.2 89 94 A T E -CE 64 116C 0 -25,-2.3 -25,-2.3 27,-0.2 2,-0.3 -0.885 23.3-156.3-132.1 162.2 20.6 1.5 -22.6 90 95 A L E -CE 63 115C 0 25,-1.8 25,-3.1 -2,-0.3 2,-0.4 -0.990 14.8-169.2-133.1 133.9 19.4 3.5 -19.7 91 96 A L E -CE 62 114C 0 -29,-2.6 -29,-1.9 -2,-0.3 2,-0.5 -0.991 3.5-168.3-127.7 122.9 21.9 4.8 -17.0 92 97 A R E -CE 61 113C 7 21,-2.3 21,-2.7 -2,-0.4 2,-0.3 -0.956 6.9-164.7-108.0 128.9 20.8 6.3 -13.7 93 98 A F E +CE 60 112C 0 -33,-3.1 -33,-1.7 -2,-0.5 2,-0.3 -0.765 19.5 154.3-103.8 156.1 23.5 8.1 -11.6 94 99 A S E -CE 59 111C 4 17,-0.9 17,-2.1 -2,-0.3 -35,-0.2 -0.989 41.1-112.7-165.8 163.2 23.0 8.9 -7.9 95 100 A T - 0 0 3 -37,-2.1 16,-0.2 -2,-0.3 15,-0.1 -0.226 30.3-135.8 -84.6-168.8 24.5 9.6 -4.5 96 101 A V S S+ 0 0 6 13,-0.3 -40,-2.1 -40,-0.1 -39,-0.6 0.726 81.6 31.6-116.0 -58.3 23.9 7.1 -1.7 97 102 A A S S+ 0 0 1 -42,-0.2 11,-0.1 12,-0.2 -40,-0.0 0.861 93.0 85.7 -83.8 -40.9 23.0 8.6 1.7 98 103 A G S S- 0 0 0 5,-0.1 -40,-0.6 1,-0.1 -41,-0.4 -0.237 72.6-117.7 -71.1 158.3 21.0 11.8 1.1 99 104 A E > - 0 0 45 -42,-0.2 3,-2.5 -43,-0.1 -1,-0.1 -0.127 45.9 -71.3 -86.7-179.6 17.3 11.9 0.5 100 105 A L T 3 S+ 0 0 74 1,-0.3 -41,-0.2 -42,-0.1 -1,-0.1 0.663 130.9 38.2 -46.5 -31.5 15.3 13.1 -2.5 101 106 A G T 3 S+ 0 0 66 -43,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.312 87.8 121.3-106.2 9.0 16.0 16.7 -2.0 102 107 A S S < S- 0 0 9 -3,-2.5 -4,-0.0 1,-0.1 4,-0.0 -0.331 71.8 -87.4 -77.4 154.0 19.6 16.6 -0.9 103 108 A P > - 0 0 24 0, 0.0 3,-1.1 0, 0.0 136,-0.2 -0.247 24.9-137.0 -58.9 141.1 22.5 18.3 -2.8 104 109 A D T 3 S+ 0 0 2 134,-2.6 135,-0.1 1,-0.2 134,-0.1 0.714 97.0 62.4 -63.5 -27.5 24.2 16.4 -5.6 105 110 A T T 3 + 0 0 0 125,-0.2 -1,-0.2 132,-0.1 129,-0.2 0.161 68.2 125.2-101.8 24.7 27.7 17.5 -4.4 106 111 A W S < S- 0 0 38 -3,-1.1 2,-0.3 1,-0.1 383,-0.2 -0.421 76.4 -96.2 -65.5 151.0 27.8 15.9 -0.9 107 112 A R S S+ 0 0 19 381,-2.3 2,-0.3 78,-0.1 78,-0.2 -0.555 76.9 115.6 -67.9 130.8 30.9 13.7 -0.4 108 113 A D - 0 0 5 76,-1.9 2,-0.1 -2,-0.3 381,-0.0 -0.958 69.4 -76.1-179.0 161.8 29.6 10.1 -1.2 109 114 A V - 0 0 4 -2,-0.3 2,-0.4 76,-0.1 -13,-0.3 -0.434 48.2-137.2 -62.1 149.6 29.8 7.1 -3.4 110 115 A R - 0 0 0 -15,-0.1 19,-2.4 -2,-0.1 -15,-0.2 -0.969 9.7-128.5-113.5 138.6 28.0 7.5 -6.7 111 116 A G E -EF 94 128C 2 -17,-2.1 -17,-0.9 -2,-0.4 17,-0.3 -0.494 15.2-169.8 -77.9 153.7 25.8 5.0 -8.3 112 117 A F E +EF 93 127C 0 15,-2.7 15,-2.5 -19,-0.2 2,-0.7 -0.728 13.7 178.4-144.0 76.0 26.2 3.8 -11.9 113 118 A A E -EF 92 126C 13 -21,-2.7 -21,-2.3 13,-0.3 2,-0.5 -0.814 6.6-174.9 -97.3 109.5 23.1 1.8 -12.7 114 119 A L E -EF 91 125C 0 11,-2.6 11,-3.1 -2,-0.7 2,-0.4 -0.922 9.6-168.9-118.3 118.7 23.1 0.6 -16.3 115 120 A R E -EF 90 124C 0 -25,-3.1 -25,-1.8 -2,-0.5 2,-0.5 -0.873 5.7-161.0-102.6 136.5 20.4 -1.3 -18.1 116 121 A F E -EF 89 123C 0 7,-2.8 7,-2.6 -2,-0.4 2,-1.7 -0.975 14.5-144.7-110.9 121.4 20.9 -3.0 -21.5 117 122 A Y E - F 0 122C 13 -29,-2.8 -29,-0.4 -2,-0.5 5,-0.2 -0.620 37.0-177.4 -86.1 78.1 17.5 -3.7 -23.3 118 123 A T E > - 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0 0 55 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.402 32.1 -97.9 -81.5 172.5 50.0 11.7 -5.8 435 440 A D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 126.9 48.5 -59.4 -43.7 51.6 13.9 -3.1 436 441 A Q H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 110.0 51.5 -66.4 -39.8 48.9 16.6 -3.6 437 442 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 110.1 49.9 -63.0 -38.3 46.2 13.9 -3.4 438 443 A R H X S+ 0 0 44 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 109.9 50.7 -63.7 -42.9 47.8 12.7 -0.1 439 444 A D H X S+ 0 0 66 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.943 113.5 44.7 -59.1 -46.7 47.9 16.2 1.3 440 445 A D H X S+ 0 0 86 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.873 109.7 56.8 -66.1 -35.7 44.2 16.7 0.4 441 446 A F H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.905 105.5 50.4 -61.1 -44.1 43.4 13.3 1.8 442 447 A V H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.934 111.8 47.7 -59.5 -46.1 44.8 14.3 5.2 443 448 A E H X S+ 0 0 63 -4,-1.9 42,-2.0 -5,-0.2 4,-2.0 0.877 114.4 47.9 -62.2 -38.2 42.8 17.5 5.2 444 449 A T H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.955 115.5 41.3 -66.5 -52.9 39.6 15.5 4.2 445 450 A V H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.922 115.8 50.2 -66.3 -43.6 40.0 12.8 6.8 446 451 A A H >X S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.3 4,-0.5 0.939 113.1 47.2 -59.0 -43.8 41.0 15.2 9.5 447 452 A G H >< S+ 0 0 11 -4,-2.0 3,-1.2 -5,-0.3 40,-0.2 0.905 108.1 55.3 -61.4 -40.8 38.0 17.4 8.7 448 453 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.730 110.3 47.1 -63.3 -24.0 35.8 14.3 8.7 449 454 A L H X< S+ 0 0 0 -4,-1.3 3,-1.8 -3,-0.6 -1,-0.3 0.448 82.1 121.7 -94.5 -5.0 37.0 13.6 12.2 450 455 A K T << S+ 0 0 71 -3,-1.2 42,-0.4 -4,-0.5 -291,-0.1 -0.435 86.5 5.1 -66.6 126.9 36.5 17.1 13.6 451 456 A G T 3 S+ 0 0 35 1,-0.3 -1,-0.3 -2,-0.2 42,-0.2 0.402 92.8 144.0 82.2 -3.3 34.2 17.1 16.5 452 457 A V < - 0 0 5 -3,-1.8 -1,-0.3 40,-0.2 5,-0.1 -0.409 66.3 -88.4 -68.9 144.8 33.8 13.3 16.6 453 458 A R >> - 0 0 114 45,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.234 40.4-120.3 -59.7 143.0 33.6 11.9 20.1 454 459 A Q H 3> S+ 0 0 152 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.802 108.5 56.5 -65.8 -34.3 37.1 11.2 21.4 455 460 A D H 3> S+ 0 0 57 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.921 111.9 44.6 -56.9 -43.5 36.7 7.5 21.9 456 461 A V H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.892 110.8 54.2 -68.7 -40.7 35.8 7.1 18.3 457 462 A Q H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.921 106.5 52.2 -56.7 -45.9 38.6 9.5 17.2 458 463 A A H X S+ 0 0 50 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.911 110.2 47.7 -60.6 -42.4 41.1 7.3 19.0 459 464 A R H X S+ 0 0 97 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.886 109.9 54.3 -63.4 -38.0 39.8 4.2 17.2 460 465 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.871 103.2 55.2 -64.9 -36.3 40.0 6.1 13.9 461 466 A F H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.925 110.5 46.0 -62.2 -41.6 43.7 7.0 14.5 462 467 A E H X S+ 0 0 134 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.922 111.5 52.4 -64.4 -42.5 44.5 3.3 14.9 463 468 A Y H X S+ 0 0 7 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.933 112.5 44.3 -56.4 -50.3 42.4 2.5 11.8 464 469 A W H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 8,-0.4 0.874 110.6 53.4 -70.2 -35.7 44.3 5.0 9.7 465 470 A K H < S+ 0 0 75 -4,-2.4 -1,-0.2 7,-0.2 -2,-0.2 0.856 105.9 55.4 -63.9 -33.7 47.7 4.0 11.0 466 471 A N H < S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 108.6 48.1 -65.5 -35.7 46.8 0.4 10.1 467 472 A V H < S- 0 0 2 -4,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.964 141.3 -18.7 -61.4 -54.0 46.2 1.7 6.5 468 473 A D X - 0 0 21 -4,-2.6 4,-2.6 1,-0.1 -1,-0.3 -0.883 55.1-142.3-159.6 126.1 49.5 3.5 6.5 469 474 A A H > S+ 0 0 70 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.900 102.6 45.8 -59.4 -43.7 51.7 4.6 9.5 470 475 A T H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 114.9 44.5 -66.8 -49.5 52.7 7.9 7.9 471 476 A I H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 112.3 54.5 -63.3 -38.8 49.2 9.0 6.8 472 477 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 -8,-0.4 -7,-0.2 0.913 109.2 45.8 -63.7 -42.1 47.7 7.9 10.1 473 478 A Q H X S+ 0 0 79 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.898 111.7 52.6 -67.6 -37.7 50.1 10.1 12.1 474 479 A R H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.920 111.9 46.5 -61.8 -43.8 49.5 13.1 9.7 475 480 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.938 112.8 49.0 -61.3 -50.6 45.8 12.7 10.2 476 481 A E H X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 110.2 51.4 -57.2 -45.3 46.1 12.3 14.0 477 482 A D H X S+ 0 0 70 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.916 112.7 45.4 -57.3 -46.7 48.4 15.4 14.2 478 483 A E H ><>S+ 0 0 3 -4,-2.0 5,-2.0 2,-0.2 3,-0.5 0.911 111.8 51.1 -68.1 -40.9 45.9 17.5 12.3 479 484 A V H ><5S+ 0 0 15 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.915 107.4 54.0 -61.0 -42.0 42.9 16.3 14.3 480 485 A K H 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.736 107.2 52.0 -67.0 -20.6 44.8 17.1 17.5 481 486 A R T <<5S- 0 0 136 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.383 113.8-120.5 -86.6 -3.1 45.2 20.7 16.1 482 487 A H T < 5 + 0 0 133 -3,-1.8 2,-0.3 -4,-0.2 -3,-0.2 0.890 69.6 131.3 59.7 44.0 41.5 21.0 15.4 483 488 A E < + 0 0 95 -5,-2.0 -1,-0.2 2,-0.0 2,-0.2 -0.835 15.9 100.8-122.2 159.1 42.1 21.6 11.7 484 489 A G - 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