==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-JUL-08 3DMY . COMPND 2 MOLECULE: PROTEIN FDRA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SUGADEV,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 893 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.6 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 . 6 0.7 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 0.1 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 . 75 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 3 0 0 2 1 3 5 2 3 4 5 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 6 8 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 PARALLEL BRIDGES PER LADDER . 2 2 0 4 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 . 0 0 0 0 4 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 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 1 101 A A 0 0 129 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 -25.8 49.0 27.2 2 102 A L - 0 0 27 1,-0.1 2,-1.3 425,-0.1 425,-0.1 -0.424 360.0-132.2 -65.4 128.9 -23.6 46.0 27.4 3 103 A T E -a 427 0A 60 423,-0.6 425,-1.7 -2,-0.2 2,-0.1 -0.687 31.5-172.1 -85.4 93.1 -25.5 42.7 27.0 4 104 A Q E +a 428 0A 62 -2,-1.3 2,-0.3 423,-0.2 425,-0.2 -0.403 8.2 170.5 -82.8 162.4 -24.1 40.6 29.9 5 105 A V E -a 429 0A 17 423,-2.5 425,-2.5 -2,-0.1 3,-0.1 -0.919 30.0-151.4-157.7 176.4 -24.9 36.9 30.3 6 106 A R S S+ 0 0 178 -2,-0.3 2,-0.3 423,-0.2 423,-0.1 0.345 74.3 59.3-142.1 4.7 -23.9 33.9 32.4 7 107 A R S > S- 0 0 150 1,-0.2 4,-1.5 424,-0.1 -1,-0.2 -0.983 75.2-125.7-137.3 146.5 -24.5 30.8 30.3 8 108 A W H >> S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 3,-1.8 0.977 111.3 46.2 -53.1 -65.7 -23.2 29.8 26.9 9 109 A D H 3> S+ 0 0 92 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.804 109.1 57.8 -48.4 -34.3 -26.6 29.3 25.2 10 110 A S H 3> S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.841 110.1 43.5 -66.8 -32.6 -27.7 32.6 26.7 11 111 A A H < S+ 0 0 19 -4,-0.7 3,-1.6 1,-0.1 -1,-0.3 -0.522 71.9 174.8-151.9 72.9 -25.8 36.8 19.5 16 116 A P T 3 S+ 0 0 108 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.853 83.5 44.2 -47.6 -46.4 -26.9 34.1 17.0 17 117 A D T 3 S+ 0 0 124 -4,-0.1 389,-0.1 388,-0.0 2,-0.1 -0.179 79.0 156.2 -98.3 39.9 -24.1 34.9 14.5 18 118 A A < - 0 0 16 -3,-1.6 389,-0.2 -6,-0.2 3,-0.1 -0.407 18.1-176.5 -64.6 142.6 -21.3 35.2 17.1 19 119 A N + 0 0 32 387,-2.8 24,-2.4 1,-0.3 2,-0.4 0.722 55.8 34.9-113.8 -33.0 -17.9 34.6 15.4 20 120 A L E -bc 43 407A 0 386,-3.0 388,-2.7 22,-0.2 2,-0.6 -0.980 55.2-149.1-135.7 142.7 -15.2 34.8 18.1 21 121 A A E -bc 44 408A 0 22,-2.9 24,-2.5 -2,-0.4 2,-0.9 -0.937 13.9-160.3-108.2 115.0 -14.8 33.9 21.7 22 122 A L E -bc 45 409A 1 386,-1.2 388,-2.0 -2,-0.6 389,-0.7 -0.842 13.0-165.1 -99.4 102.0 -12.4 36.2 23.5 23 123 A I E +b 46 0A 0 22,-2.0 24,-2.0 -2,-0.9 25,-1.4 -0.774 28.0 154.0 -94.2 123.4 -11.3 34.3 26.6 24 124 A S + 0 0 13 -2,-0.5 3,-0.1 23,-0.2 -1,-0.1 0.035 34.3 125.9-133.3 24.7 -9.5 36.2 29.4 25 125 A V S S- 0 0 13 1,-0.2 24,-0.1 386,-0.1 5,-0.1 -0.154 77.3 -56.2 -75.7 176.1 -10.4 34.1 32.4 26 126 A A >> - 0 0 39 1,-0.1 3,-2.7 22,-0.1 4,-0.9 -0.334 56.5-119.3 -55.5 130.2 -7.9 32.6 34.9 27 127 A G H >> S+ 0 0 6 1,-0.3 3,-0.9 2,-0.2 4,-0.7 0.801 108.2 68.0 -40.6 -45.9 -5.4 30.5 32.9 28 128 A E H 34 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.739 112.3 32.6 -51.1 -25.4 -6.3 27.2 34.6 29 129 A Y H <> S+ 0 0 88 -3,-2.7 4,-2.2 2,-0.1 -1,-0.3 0.520 93.8 90.9-110.1 -9.3 -9.8 27.4 33.0 30 130 A A H S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.955 111.0 43.7 -59.7 -53.1 -11.6 24.4 29.0 33 133 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.760 109.6 59.1 -64.5 -26.1 -13.6 27.4 27.8 34 134 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.928 107.2 45.0 -69.5 -45.0 -11.7 27.3 24.5 35 135 A N H X S+ 0 0 33 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.854 110.7 54.0 -66.9 -33.0 -12.9 23.8 23.8 36 136 A Q H X S+ 0 0 57 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.820 109.3 50.4 -68.3 -29.0 -16.4 24.8 24.8 37 137 A A H ><>S+ 0 0 0 -4,-1.3 5,-1.7 2,-0.2 3,-0.7 0.921 110.5 47.2 -72.6 -45.8 -16.1 27.6 22.2 38 138 A L H ><5S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 -2,-0.2 0.829 101.2 65.0 -65.2 -32.8 -14.9 25.2 19.5 39 139 A D H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.851 106.4 45.2 -57.9 -30.6 -17.8 22.8 20.4 40 140 A R T <<5S- 0 0 104 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.109 122.4-115.7 -97.9 20.5 -19.9 25.7 19.2 41 141 A N T < 5 + 0 0 97 -3,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.844 64.9 148.3 45.0 48.4 -17.6 26.1 16.2 42 142 A L < - 0 0 12 -5,-1.7 -22,-0.2 -8,-0.2 -1,-0.2 -0.805 51.1-114.6-108.4 148.7 -16.4 29.5 17.2 43 143 A N E -b 20 0A 12 -24,-2.4 -22,-2.9 -2,-0.3 2,-0.4 -0.499 37.2-144.4 -76.0 153.8 -12.9 31.0 16.6 44 144 A V E -bd 21 70A 0 25,-2.3 27,-3.4 -24,-0.2 2,-0.4 -0.949 22.9-173.5-128.7 144.3 -11.0 31.7 19.8 45 145 A X E -bd 22 71A 0 -24,-2.5 -22,-2.0 -2,-0.4 2,-0.8 -0.968 13.9-159.7-131.4 115.7 -8.6 34.2 21.0 46 146 A X E +b 23 0A 0 25,-2.3 29,-2.0 -2,-0.4 -22,-0.2 -0.845 20.4 171.0-101.3 104.7 -7.0 33.5 24.4 47 147 A F + 0 0 48 -24,-2.0 -23,-0.2 -2,-0.8 -1,-0.2 0.728 52.3 113.0 -75.6 -23.1 -5.7 36.6 26.0 48 148 A S - 0 0 4 -25,-1.4 26,-2.8 -3,-0.2 27,-0.2 -0.201 54.4-156.9 -56.6 133.7 -5.2 34.3 29.0 49 149 A D + 0 0 65 24,-0.2 -19,-0.2 1,-0.2 -1,-0.1 -0.142 66.2 61.1 -93.0-168.3 -1.8 33.5 30.2 50 150 A N + 0 0 108 1,-0.2 2,-0.4 -23,-0.1 -20,-0.2 0.908 68.6 138.7 51.4 52.6 -0.9 30.4 32.3 51 151 A V - 0 0 12 -3,-0.1 -1,-0.2 -21,-0.1 -23,-0.1 -0.987 52.3-114.5-126.9 137.4 -2.0 27.8 29.8 52 152 A T > - 0 0 61 -2,-0.4 4,-2.4 -25,-0.1 5,-0.2 -0.323 15.5-124.2 -71.6 152.1 0.0 24.6 29.1 53 153 A L H > S+ 0 0 41 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.937 112.6 58.3 -55.9 -48.4 1.7 23.8 25.8 54 154 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 108.7 43.4 -50.5 -45.3 -0.3 20.6 25.7 55 155 A D H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.902 114.5 50.2 -70.4 -39.6 -3.6 22.4 25.9 56 156 A E H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.939 112.4 47.2 -61.8 -47.7 -2.4 25.0 23.3 57 157 A I H X S+ 0 0 51 -4,-3.8 4,-2.1 1,-0.2 5,-0.3 0.907 113.1 49.6 -60.9 -41.5 -1.3 22.3 21.0 58 158 A Q H X S+ 0 0 67 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.919 113.1 46.1 -63.5 -44.6 -4.6 20.4 21.5 59 159 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.889 113.8 47.3 -67.0 -41.7 -6.7 23.5 20.8 60 160 A K H X S+ 0 0 2 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.876 113.8 46.3 -70.2 -38.3 -4.8 24.6 17.7 61 161 A T H X S+ 0 0 47 -4,-2.1 4,-2.0 -5,-0.2 3,-0.3 0.926 113.8 49.2 -70.1 -42.8 -4.7 21.2 16.1 62 162 A R H X S+ 0 0 42 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.882 109.3 52.9 -62.1 -37.2 -8.4 20.8 16.8 63 163 A A H <>S+ 0 0 1 -4,-1.9 5,-3.9 2,-0.2 4,-0.4 0.783 106.4 55.4 -67.8 -28.1 -9.1 24.2 15.4 64 164 A R H ><5S+ 0 0 149 -4,-1.2 3,-1.6 -3,-0.3 -2,-0.2 0.964 106.1 46.8 -70.1 -54.1 -7.2 23.2 12.2 65 165 A E H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 116.0 48.6 -60.0 -25.4 -9.3 20.1 11.5 66 166 A K T 3<5S- 0 0 77 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.556 112.7-122.1 -89.9 -8.1 -12.4 22.3 12.1 67 167 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.829 71.2 125.0 71.3 31.1 -11.0 25.0 9.8 68 168 A L < - 0 0 24 -5,-3.9 2,-0.5 -6,-0.1 -1,-0.2 -0.621 58.5-117.5-113.4 175.3 -11.2 27.5 12.7 69 169 A L - 0 0 1 -2,-0.2 -25,-2.3 -3,-0.1 2,-0.6 -0.968 16.9-168.7-123.4 128.7 -8.5 29.8 14.2 70 170 A V E -d 44 0A 1 -2,-0.5 2,-2.0 -27,-0.2 -25,-0.2 -0.929 15.3-150.1-114.8 106.2 -7.2 29.7 17.8 71 171 A X E -d 45 0A 0 -27,-3.4 -25,-2.3 -2,-0.6 4,-0.3 -0.619 40.7-120.8 -78.6 87.8 -5.1 32.7 18.6 72 172 A G - 0 0 0 -2,-2.0 3,-0.2 54,-0.9 -26,-0.2 0.402 36.8 -64.2 -24.2 159.6 -3.0 30.7 21.1 73 173 A P S S+ 0 0 5 0, 0.0 55,-0.5 0, 0.0 56,-0.4 0.053 116.0 29.5 -50.7 159.6 -2.6 31.5 24.8 74 174 A D S S+ 0 0 86 -26,-2.8 2,-0.8 1,-0.2 54,-0.7 0.865 76.1 154.3 53.5 44.0 -1.0 34.7 26.1 75 175 A C + 0 0 5 -29,-2.0 -1,-0.2 -4,-0.3 50,-0.1 -0.865 17.0 177.4-103.6 101.7 -2.1 36.7 23.0 76 176 A G + 0 0 14 -2,-0.8 11,-2.3 1,-0.1 2,-0.4 0.672 57.5 41.8 -80.8 -16.8 -2.3 40.3 24.1 77 177 A T E +F 86 0B 2 9,-0.2 2,-0.3 25,-0.2 48,-0.2 -0.990 50.1 141.1-144.0 142.1 -3.2 41.9 20.8 78 178 A S E -F 85 0B 0 7,-1.0 7,-2.6 -2,-0.4 2,-0.3 -0.948 16.9-170.2-166.1 150.6 -5.4 41.5 17.7 79 179 A X E +FG 84 123B 11 44,-2.4 44,-2.5 -2,-0.3 2,-0.5 -0.809 16.2 177.0-150.6 98.9 -7.5 43.7 15.4 80 180 A I E > -F 83 0B 0 3,-1.5 3,-2.1 -2,-0.3 42,-0.1 -0.931 68.9 -13.6-113.7 129.4 -9.7 41.9 13.0 81 181 A A T 3 S- 0 0 30 -2,-0.5 324,-0.2 40,-0.4 -1,-0.2 0.881 130.6 -51.9 51.1 42.4 -12.1 43.7 10.6 82 182 A G T 3 S+ 0 0 57 39,-0.5 -1,-0.3 1,-0.2 40,-0.1 0.586 108.5 133.8 73.3 10.2 -11.6 46.9 12.6 83 183 A T E < -F 80 0B 4 -3,-2.1 -3,-1.5 7,-0.0 2,-0.5 -0.830 52.2-137.9 -98.9 120.4 -12.5 45.1 15.8 84 184 A P E -F 79 0B 6 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.616 18.2-169.4 -79.0 122.9 -10.2 45.7 18.8 85 185 A L E -F 78 0B 0 -7,-2.6 -7,-1.0 -2,-0.5 2,-0.3 -0.931 56.6 -46.3-116.8 110.4 -9.3 42.6 20.7 86 186 A A E S+F 77 0B 0 -2,-0.6 2,-1.7 -9,-0.2 -9,-0.2 -0.520 131.0 13.9 70.0-130.3 -7.6 43.1 24.1 87 187 A F S S+ 0 0 21 -11,-2.3 2,-0.2 -2,-0.3 -1,-0.1 -0.574 93.6 146.3 -80.4 86.7 -4.7 45.6 23.8 88 188 A A - 0 0 0 -2,-1.7 681,-0.9 -11,-0.1 682,-0.4 -0.730 37.2-139.9-118.6 168.7 -5.5 47.1 20.4 89 189 A N - 0 0 8 -2,-0.2 2,-0.8 679,-0.2 679,-0.1 -0.880 28.9-104.0-126.3 155.8 -5.1 50.5 18.7 90 190 A V - 0 0 49 -2,-0.3 717,-0.4 715,-0.1 718,-0.3 -0.740 48.6-166.0 -82.4 113.9 -7.4 52.5 16.4 91 191 A X - 0 0 33 -2,-0.8 28,-0.1 716,-0.1 3,-0.1 -0.797 21.9-115.4-108.2 144.7 -5.7 52.0 13.0 92 192 A P - 0 0 57 0, 0.0 28,-1.7 0, 0.0 2,-0.1 -0.409 45.7 -99.3 -69.0 151.3 -6.2 53.8 9.7 93 193 A E E +h 120 0B 192 26,-0.2 2,-0.3 -2,-0.1 28,-0.2 -0.496 61.1 144.1 -72.7 144.0 -7.5 51.6 7.0 94 194 A G E - 0 0 28 26,-1.6 26,-0.2 25,-0.2 24,-0.0 -0.900 59.2 -95.7-160.4-170.8 -4.9 50.2 4.5 95 195 A N E S+ 0 0 19 24,-0.3 60,-2.2 -2,-0.3 59,-1.1 0.226 81.9 105.9-105.5 13.3 -3.7 47.3 2.4 96 196 A I E -hi 120 155B 0 23,-1.3 25,-2.3 58,-0.2 2,-0.6 -0.831 54.0-156.0 -99.6 124.9 -1.3 45.8 4.9 97 197 A G E - i 0 156B 0 58,-3.4 60,-2.5 -2,-0.5 2,-0.4 -0.868 14.3-156.1 -99.6 120.7 -2.2 42.5 6.6 98 198 A V E +hi 123 157B 0 24,-3.1 26,-3.5 -2,-0.6 2,-0.4 -0.822 14.8 178.9-104.8 136.0 -0.3 42.1 9.9 99 199 A I E +hi 124 158B 3 58,-2.7 60,-1.9 -2,-0.4 2,-0.3 -0.994 12.6 170.6-130.0 135.6 0.4 38.8 11.7 100 200 A G E -hi 125 159B 0 24,-2.8 26,-2.0 -2,-0.4 27,-0.4 -0.986 40.7-160.1-155.2 142.6 2.3 38.5 14.9 101 201 A A S S+ 0 0 4 58,-2.4 60,-0.4 -2,-0.3 2,-0.3 -0.450 82.0 76.4-108.0 53.3 3.3 36.2 17.7 102 202 A S - 0 0 17 -2,-0.2 4,-0.3 1,-0.2 -25,-0.2 -0.980 67.8-143.3-159.4 153.0 4.0 39.2 19.9 103 203 A G S > S+ 0 0 25 -2,-0.3 4,-1.7 2,-0.1 3,-0.4 0.948 99.6 17.3 -86.2 -76.0 2.0 41.7 21.9 104 204 A T H > S+ 0 0 8 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.629 118.0 71.3 -73.7 -11.1 3.6 45.1 21.7 105 205 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 103.7 40.3 -68.0 -43.3 5.5 43.9 18.7 106 206 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.923 116.2 51.8 -67.9 -44.8 2.3 44.0 16.7 107 207 A Q H X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.917 114.1 41.1 -59.0 -46.7 1.3 47.2 18.3 108 208 A E H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.875 112.9 54.1 -71.1 -38.8 4.6 49.0 17.6 109 209 A L H X S+ 0 0 1 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.930 114.6 42.2 -60.3 -42.3 4.8 47.5 14.1 110 210 A C H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.871 111.5 53.8 -71.8 -37.1 1.3 48.9 13.5 111 211 A S H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.874 110.5 48.2 -64.7 -36.5 2.0 52.2 15.2 112 212 A Q H X S+ 0 0 17 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.832 108.2 54.2 -72.8 -32.5 5.0 52.7 12.9 113 213 A I H <>S+ 0 0 0 -4,-1.5 5,-2.1 2,-0.2 -2,-0.2 0.960 111.9 43.2 -66.2 -49.6 3.0 51.8 9.8 114 214 A A H ><5S+ 0 0 21 -4,-2.3 3,-3.0 1,-0.2 -2,-0.2 0.953 112.5 52.9 -59.1 -50.0 0.4 54.5 10.5 115 215 A L H 3<5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.4 55.7 -54.0 -32.6 3.1 56.9 11.4 116 216 A A T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.376 126.2-102.3 -83.0 4.0 4.6 56.1 8.0 117 217 A G T < 5S+ 0 0 56 -3,-3.0 -3,-0.2 1,-0.3 2,-0.1 0.525 86.4 94.9 92.1 4.7 1.4 57.0 6.3 118 218 A E < - 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0 0 119 -4,-1.8 2,-0.5 2,-0.0 -1,-0.3 -1.000 60.2-160.1-145.3 141.5 -17.4 40.2 10.2 405 511 A V + 0 0 8 -2,-0.3 2,-0.5 -324,-0.2 -387,-0.1 -0.967 8.0 179.1-128.3 118.7 -16.5 39.7 13.9 406 512 A A - 0 0 8 -2,-0.5 -386,-3.0 -389,-0.1 -387,-2.8 -0.974 21.1-151.9-116.7 117.6 -19.1 39.0 16.6 407 513 A V E -ce 20 426A 0 18,-2.5 20,-2.0 -2,-0.5 2,-0.9 -0.806 21.1-164.4-106.2 129.5 -17.6 38.5 20.0 408 514 A I E -ce 21 427A 0 -388,-2.7 -386,-1.2 -2,-0.5 2,-0.5 -0.893 26.4-154.9-100.3 101.0 -18.7 36.5 23.0 409 515 A N E +ce 22 428A 0 18,-2.1 20,-3.7 -2,-0.9 -386,-0.2 -0.698 22.4 168.8 -83.4 124.6 -16.5 37.9 25.7 410 516 A I + 0 0 0 -388,-2.0 21,-0.6 -2,-0.5 -387,-0.2 0.891 57.6 37.3-103.1 -54.4 -15.9 35.6 28.6 411 517 A G S S+ 0 0 18 -389,-0.7 20,-0.3 1,-0.1 2,-0.1 0.877 107.0 23.8 -65.7-108.2 -13.1 36.8 30.9 412 518 A L > - 0 0 81 1,-0.1 4,-0.8 18,-0.1 3,-0.5 -0.384 58.1-147.1 -67.4 134.4 -12.5 40.5 31.7 413 519 A R H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.853 93.8 69.2 -68.5 -35.7 -15.4 42.9 31.4 414 520 A S H > S+ 0 0 63 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.850 95.9 54.7 -52.9 -37.7 -13.2 45.8 30.4 415 521 A F H > S+ 0 0 7 -3,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.916 109.1 47.0 -63.6 -42.3 -12.5 44.0 27.1 416 522 A A H X S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.905 112.7 51.4 -64.1 -40.8 -16.3 43.8 26.4 417 523 A L H X S+ 0 0 70 -4,-2.6 4,-1.7 1,-0.2 3,-0.4 0.933 107.5 49.9 -62.5 -48.0 -16.5 47.5 27.4 418 524 A E H X S+ 0 0 13 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.845 110.3 52.2 -60.5 -32.2 -13.8 48.6 25.0 419 525 A L H <>S+ 0 0 0 -4,-1.6 5,-2.2 -5,-0.2 -1,-0.3 0.815 103.0 58.5 -70.7 -31.1 -15.5 46.7 22.3 420 526 A Q H ><5S+ 0 0 65 -4,-1.4 3,-1.5 -3,-0.4 -2,-0.2 0.905 102.3 54.6 -62.8 -41.7 -18.7 48.5 23.2 421 527 A S H 3<5S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.908 105.4 50.5 -58.5 -45.3 -16.9 51.8 22.4 422 528 A A T 3<5S- 0 0 25 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.492 112.2-127.5 -72.3 -0.7 -16.0 50.5 19.0 423 529 A S T < 5 + 0 0 103 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.910 56.6 152.3 53.7 44.5 -19.7 49.8 18.7 424 530 A K < - 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0 0 56 -5,-2.4 2,-0.2 12,-0.0 -1,-0.2 -0.972 64.9-110.5-161.3 145.3 28.7 44.9 24.3 707 357 B E 0 0 189 -2,-0.3 -9,-0.0 -5,-0.0 -5,-0.0 -0.539 360.0 360.0 -76.1 140.9 27.0 41.5 24.3 708 358 B A 0 0 97 -2,-0.2 8,-0.1 8,-0.1 7,-0.1 -0.942 360.0 360.0-126.0 360.0 23.8 41.3 26.4 709 ! 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 0.0 710 362 B H 0 0 204 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -38.0 17.3 37.6 30.0 711 363 B Q > - 0 0 132 3,-0.5 3,-2.6 1,-0.2 0, 0.0 -0.793 360.0 -6.6-104.2 142.9 16.4 36.8 33.6 712 364 B H T 3 S- 0 0 84 -2,-0.3 -1,-0.2 1,-0.3 16,-0.1 0.665 125.3 -61.7 53.0 20.0 13.6 38.4 35.7 713 365 B G T 3 S+ 0 0 1 -3,-0.2 12,-3.2 1,-0.2 2,-1.5 0.621 97.2 138.5 84.7 10.8 13.0 41.0 33.0 714 366 B X E < +F 724 0F 48 -3,-2.6 -3,-0.5 10,-0.2 10,-0.2 -0.665 22.7 172.6 -90.4 81.7 16.5 42.4 33.2 715 367 B X E + 0 0 38 -2,-1.5 2,-0.3 8,-1.1 -1,-0.2 0.774 68.1 14.4 -62.7 -29.1 17.0 42.7 29.4 716 368 B L E +F 723 0F 5 7,-1.4 7,-1.9 -3,-0.2 -1,-0.2 -0.990 57.4 159.2-149.7 141.3 20.2 44.6 29.8 717 369 B D E +F 722 0F 94 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.473 27.1 134.5-163.7 78.5 22.6 45.1 32.8 718 370 B A E > S-F 721 0F 20 3,-1.6 3,-2.2 1,-0.1 -10,-0.0 -1.000 73.9 -3.1-136.9 134.1 26.1 46.1 31.8 719 371 B D T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.847 129.3 -57.8 54.1 38.6 28.3 48.8 33.2 720 372 B S T 3 S+ 0 0 72 1,-0.3 2,-0.4 -38,-0.1 -1,-0.3 0.400 109.0 128.5 74.7 -2.4 25.5 49.9 35.5 721 373 B H E < - 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0 0 63 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 -0.228 58.3 -84.2 -65.0 156.7 -1.9 44.6 37.5 737 389 B H >> - 0 0 67 1,-0.1 3,-2.0 3,-0.1 4,-1.6 -0.329 40.0-117.2 -60.9 143.0 0.3 44.6 34.4 738 390 B P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -49,-0.1 0.656 112.5 65.5 -58.9 -15.0 2.3 47.9 34.1 739 391 B X T 34 S+ 0 0 17 -51,-0.2 33,-1.2 1,-0.2 -2,-0.1 0.722 112.3 32.7 -79.8 -19.2 0.5 48.6 30.8 740 392 B I T <4 S+ 0 0 77 -3,-2.0 -1,-0.2 1,-0.3 33,-0.2 0.615 127.0 37.1-108.8 -18.1 -2.8 49.0 32.7 741 393 B D < - 0 0 57 -4,-1.6 4,-0.3 -5,-0.1 3,-0.3 -0.953 57.4-170.4-138.4 117.4 -1.6 50.4 36.0 742 394 B P > + 0 0 28 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.506 58.5 104.6 -83.6 -5.5 1.3 52.9 36.2 743 395 B T H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.878 80.8 41.7 -42.3 -61.2 1.7 52.8 40.0 744 396 B L H > S+ 0 0 30 -3,-0.3 4,-2.6 2,-0.2 3,-0.4 0.958 117.1 45.4 -55.6 -58.7 4.9 50.7 40.3 745 397 B R H > S+ 0 0 13 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.910 111.8 52.4 -52.6 -48.1 6.8 52.3 37.4 746 398 B N H X S+ 0 0 22 -4,-2.8 4,-2.6 1,-0.2 -1,-0.3 0.857 109.7 51.2 -58.0 -34.9 5.9 55.8 38.6 747 399 B Q H X S+ 0 0 96 -4,-1.8 4,-2.5 -3,-0.4 -2,-0.2 0.943 110.4 47.3 -66.4 -48.9 7.2 54.8 42.0 748 400 B L H < S+ 0 0 57 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.856 112.4 50.0 -62.4 -36.4 10.5 53.6 40.5 749 401 B I H >< S+ 0 0 1 -4,-2.7 3,-2.3 -5,-0.2 4,-0.4 0.974 110.9 48.4 -66.4 -52.5 10.8 56.7 38.4 750 402 B A H >< S+ 0 0 21 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.878 105.8 60.0 -53.5 -39.7 10.2 59.0 41.5 751 403 B D G >< S+ 0 0 90 -4,-2.5 3,-1.0 1,-0.3 -1,-0.3 0.635 87.7 75.3 -66.2 -12.4 12.8 56.9 43.4 752 404 B L G X S+ 0 0 7 -3,-2.3 3,-2.6 -4,-0.4 -1,-0.3 0.769 76.2 75.4 -71.8 -23.4 15.4 57.9 40.8 753 405 B G G < S+ 0 0 5 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.788 95.2 51.7 -57.5 -25.6 15.7 61.4 42.3 754 406 B A G < S+ 0 0 87 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.421 97.6 74.7 -90.2 -1.1 17.6 59.7 45.2 755 407 B K X + 0 0 123 -3,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.781 58.5 179.9-117.6 87.7 20.0 58.0 42.7 756 408 B P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.818 74.8 62.7 -51.0 -46.6 22.4 60.7 41.3 757 409 B Q T 3 S+ 0 0 92 -76,-0.1 -75,-3.1 2,-0.1 2,-1.0 0.695 79.8 92.4 -59.4 -22.9 24.4 58.4 39.0 758 410 B V E < +d 682 0F 18 -3,-1.3 -75,-0.2 -77,-0.2 -3,-0.1 -0.667 47.5 165.4 -78.1 107.4 21.4 57.6 36.9 759 411 B R E + 0 0 0 -77,-1.2 38,-3.4 -2,-1.0 2,-0.4 0.824 56.9 42.6 -92.3 -36.9 21.6 60.3 34.2 760 412 B V E -dg 683 797F 0 -78,-2.6 -76,-2.7 36,-0.2 2,-0.5 -0.942 58.7-163.8-121.2 136.7 19.2 58.9 31.5 761 413 B L E -dg 684 798F 0 36,-2.9 38,-2.7 -2,-0.4 2,-0.4 -0.962 9.1-160.4-118.1 118.1 15.7 57.4 31.9 762 414 B L E +dg 685 799F 0 -78,-2.1 -76,-2.9 -2,-0.5 2,-0.3 -0.820 17.4 173.7 -99.4 135.3 14.3 55.5 28.9 763 415 B L E -dg 686 800F 2 36,-2.4 38,-1.8 -2,-0.4 2,-0.3 -0.960 23.5-152.7-140.4 157.0 10.5 54.9 28.8 764 416 B D E - 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0 0 118 -2,-0.2 3,-1.8 3,-0.2 -2,-0.1 -0.501 33.8-108.2 -78.1 156.7 21.1 68.7 42.5 792 444 B D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.782 120.2 55.8 -58.0 -29.0 21.7 70.7 39.4 793 445 B N T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -115,-0.1 -114,-0.1 0.616 107.5 51.9 -79.6 -11.6 25.0 68.9 38.7 794 446 B Q S < S+ 0 0 49 -3,-1.8 -1,-0.2 -116,-0.1 -3,-0.2 -0.533 80.3 171.1-122.8 63.4 23.2 65.5 38.8 795 447 B P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.223 28.1-138.1 -74.7 164.3 20.3 65.9 36.3 796 448 B L - 0 0 8 -6,-0.1 2,-0.5 -13,-0.1 -36,-0.2 -0.977 14.7-159.4-123.2 115.3 18.0 63.2 35.0 797 449 B Y E -g 760 0F 40 -38,-3.4 -36,-2.9 -2,-0.5 2,-0.4 -0.838 9.1-150.4 -97.2 130.3 17.2 63.3 31.3 798 450 B A E -g 761 0F 4 -2,-0.5 27,-2.7 25,-0.4 2,-0.4 -0.829 12.7-174.8-104.3 140.0 14.0 61.5 30.2 799 451 B I E -gh 762 825F 1 -38,-2.7 -36,-2.4 -2,-0.4 2,-0.4 -0.996 8.4-176.3-132.8 125.4 13.5 59.9 26.7 800 452 B A E -gh 763 826F 0 25,-3.2 27,-2.1 -2,-0.4 2,-0.4 -0.941 18.0-160.4-128.7 145.8 10.2 58.4 25.7 801 453 B T E -gh 764 827F 3 -38,-1.8 -36,-1.7 -2,-0.4 2,-0.5 -0.959 20.1-145.9-116.5 138.1 8.9 56.5 22.6 802 454 B V E -g 765 0F 4 25,-0.5 2,-0.6 -2,-0.4 -36,-0.2 -0.929 7.1-160.9-111.2 128.3 5.1 56.5 22.2 803 455 B T E +g 766 0F 0 -38,-2.4 -36,-2.5 -2,-0.5 2,-0.3 -0.916 52.4 54.8-108.2 116.7 3.3 53.5 20.7 804 456 B G S S- 0 0 1 -2,-0.6 2,-0.2 -38,-0.2 -36,-0.1 -0.837 73.2 -78.0 149.3 174.8 -0.2 54.2 19.4 805 457 B T > - 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