==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/RNA BINDING PROTEIN/RNA 28-APR-10 3MQK . COMPND 2 MOLECULE: TRNA PSEUDOURIDINE SYNTHASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.ZHOU,B.LIANG,H.LI . 455 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 0 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 6 5 4 2 2 0 2 1 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 1 0 0 0 2 0 0 0 0 1 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 11 A R 0 0 175 0, 0.0 2,-0.3 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 -8.0 -3.3 22.8 1.6 2 12 A I - 0 0 98 147,-0.2 164,-0.0 164,-0.1 5,-0.0 -0.980 360.0 -93.6-154.7 160.8 -5.9 25.6 1.5 3 13 A L - 0 0 1 -2,-0.3 4,-0.1 1,-0.1 165,-0.0 -0.182 35.5-112.2 -70.0 164.6 -6.5 29.1 0.0 4 14 A P S > S+ 0 0 51 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.888 115.6 66.4 -65.9 -41.8 -5.7 32.4 1.7 5 15 A A T 3 S+ 0 0 27 1,-0.3 94,-0.0 3,-0.0 -3,-0.0 0.950 92.5 63.7 -34.3 -64.6 -9.4 33.2 2.1 6 16 A D T 3 S+ 0 0 67 193,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.531 79.0 97.8 -43.0 -16.6 -9.5 30.2 4.5 7 17 A I S < S- 0 0 82 -3,-2.6 2,-0.6 -4,-0.1 -4,-0.0 -0.691 73.3-136.2 -81.6 124.8 -7.2 31.9 7.0 8 18 A K - 0 0 202 -2,-0.5 2,-0.1 1,-0.0 -2,-0.1 -0.700 13.9-145.1 -87.7 123.6 -9.2 33.5 9.8 9 19 A R - 0 0 71 -2,-0.6 2,-0.2 1,-0.1 264,-0.1 -0.355 20.2-110.1 -76.1 159.6 -8.2 37.0 10.8 10 20 A E - 0 0 136 -2,-0.1 262,-2.3 262,-0.1 2,-0.7 -0.627 25.9-128.4 -88.5 151.5 -8.5 38.3 14.4 11 21 A V E -A 271 0A 61 -2,-0.2 2,-0.5 260,-0.2 260,-0.2 -0.885 17.8-157.5-109.2 110.9 -11.0 40.9 15.3 12 22 A L E -A 270 0A 39 258,-2.7 258,-1.8 -2,-0.7 2,-0.6 -0.708 11.0-140.2 -86.9 126.1 -9.8 44.0 17.2 13 23 A I E +A 269 0A 92 -2,-0.5 256,-0.2 256,-0.2 3,-0.2 -0.755 28.4 166.3 -86.9 122.3 -12.3 45.9 19.3 14 24 A K S S+ 0 0 50 254,-2.1 2,-0.6 -2,-0.6 255,-0.2 0.841 77.5 28.1 -97.2 -49.1 -11.9 49.7 19.0 15 25 A D > + 0 0 52 253,-2.3 3,-1.9 1,-0.1 -1,-0.2 -0.814 66.0 179.9-116.2 90.5 -15.2 51.0 20.5 16 26 A E T 3 S+ 0 0 142 -2,-0.6 -1,-0.1 1,-0.3 252,-0.0 0.521 80.3 58.0 -70.0 -7.3 -16.4 48.3 23.0 17 27 A N T 3 S+ 0 0 118 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.348 77.8 126.3-101.5 6.3 -19.4 50.3 23.8 18 28 A A < + 0 0 29 -3,-1.9 2,-0.3 250,-0.1 250,-0.0 -0.401 32.0 171.0 -72.7 137.8 -20.7 50.5 20.2 19 29 A E - 0 0 164 -2,-0.1 231,-0.5 2,-0.0 2,-0.4 -0.828 21.5-129.7-139.1 170.9 -24.3 49.4 19.6 20 30 A T - 0 0 47 -2,-0.3 229,-0.0 265,-0.1 3,-0.0 -0.983 15.3-120.4-136.5 144.6 -26.7 49.5 16.7 21 31 A N > - 0 0 46 -2,-0.4 3,-1.3 1,-0.1 -2,-0.0 -0.694 13.4-151.0 -82.4 122.1 -30.3 50.6 16.2 22 32 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 264,-0.0 0.777 93.4 66.4 -62.8 -24.9 -32.5 47.7 15.0 23 33 A D T 3 S+ 0 0 136 3,-0.1 2,-0.4 -3,-0.0 -2,-0.0 0.744 92.2 74.7 -68.1 -22.5 -34.7 50.3 13.2 24 34 A W S < S- 0 0 75 -3,-1.3 299,-0.2 300,-0.0 298,-0.1 -0.731 96.9 -13.9-101.7 140.9 -31.9 51.1 10.7 25 35 A G S S- 0 0 9 297,-1.5 298,-0.0 -2,-0.4 293,-0.0 -0.257 74.8 -93.7 72.5-160.2 -30.8 49.0 7.9 26 36 A F - 0 0 64 5,-0.0 -1,-0.1 -2,-0.0 5,-0.1 -0.790 21.2-134.3-164.2 104.7 -31.5 45.4 7.2 27 37 A P - 0 0 23 0, 0.0 3,-0.3 0, 0.0 260,-0.1 -0.389 35.8-111.6 -50.3 141.5 -29.5 42.3 8.2 28 38 A P S > S+ 0 0 11 0, 0.0 3,-1.1 0, 0.0 11,-0.1 0.872 114.5 58.9 -45.9 -47.5 -29.3 40.0 5.1 29 39 A E T 3 S+ 0 0 135 1,-0.3 2,-0.7 206,-0.0 7,-0.1 0.922 107.2 43.4 -50.4 -56.2 -31.4 37.4 6.9 30 40 A K T 3 S+ 0 0 147 -3,-0.3 -1,-0.3 2,-0.0 0, 0.0 -0.301 82.9 129.9 -93.7 51.3 -34.5 39.6 7.3 31 41 A R < - 0 0 2 -3,-1.1 2,-0.2 -2,-0.7 5,-0.1 -0.862 65.2-110.6 -99.6 135.0 -34.5 41.2 3.9 32 42 A P >> - 0 0 60 0, 0.0 4,-2.7 0, 0.0 3,-1.7 -0.477 34.4-111.0 -65.2 133.6 -37.7 41.3 1.9 33 43 A I H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.746 117.3 49.4 -30.5 -52.4 -37.5 38.9 -1.1 34 44 A E H 3> S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.896 116.8 43.2 -61.9 -37.7 -37.5 41.7 -3.8 35 45 A M H <> S+ 0 0 40 -3,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.890 108.4 58.5 -72.0 -42.2 -34.8 43.5 -1.8 36 46 A H H >< S+ 0 0 7 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.924 109.1 46.0 -48.2 -48.5 -33.0 40.2 -1.3 37 47 A I H >< S+ 0 0 14 -4,-2.5 3,-1.5 -5,-0.2 52,-0.2 0.884 105.6 59.0 -61.7 -41.1 -32.8 39.9 -5.1 38 48 A Q H 3< S+ 0 0 49 -4,-1.5 50,-0.8 1,-0.3 51,-0.7 0.742 118.5 31.7 -66.6 -20.7 -31.7 43.5 -5.5 39 49 A F T << S+ 0 0 9 -4,-1.3 197,-2.1 -3,-0.6 -1,-0.3 -0.192 101.4 123.7-126.9 42.0 -28.6 42.7 -3.3 40 50 A G E < -G 235 0B 0 -3,-1.5 46,-2.9 46,-0.2 2,-0.4 -0.608 43.1-160.2-113.7 162.1 -28.0 39.1 -4.2 41 51 A V E -GH 234 85B 0 193,-2.7 193,-4.1 44,-0.2 2,-0.6 -0.996 15.5-145.2-134.0 136.9 -25.4 36.7 -5.4 42 52 A I E -GH 233 84B 0 42,-2.3 42,-2.1 -2,-0.4 2,-2.0 -0.902 10.6-142.5-102.2 124.0 -26.2 33.3 -6.9 43 53 A N E - H 0 83B 0 -2,-0.6 165,-2.1 189,-0.5 2,-0.2 -0.583 39.8-168.7 -77.2 78.2 -23.7 30.5 -6.3 44 54 A L E -iH 208 82B 0 -2,-2.0 38,-3.4 38,-0.8 2,-0.9 -0.461 26.6-147.2 -80.8 141.9 -24.2 29.2 -9.8 45 55 A D E - H 0 81B 16 163,-2.4 165,-0.5 36,-0.2 36,-0.2 -0.836 27.2-146.3-103.6 93.9 -23.1 25.9 -11.2 46 56 A K E - H 0 80B 0 34,-2.5 34,-1.6 -2,-0.9 3,-0.1 -0.344 8.4-128.4 -71.0 142.5 -22.4 26.7 -14.8 47 57 A P - 0 0 2 0, 0.0 31,-0.1 0, 0.0 2,-0.1 -0.509 28.9 -98.0 -81.8 150.5 -23.0 24.0 -17.5 48 58 A P S S+ 0 0 7 0, 0.0 29,-0.2 0, 0.0 31,-0.1 -0.474 102.1 46.5 -60.6 142.0 -20.5 22.9 -20.1 49 59 A G S S+ 0 0 42 27,-3.5 28,-0.1 1,-0.3 29,-0.1 -0.571 86.8 75.7 128.6 -72.3 -21.3 24.8 -23.3 50 60 A P S S- 0 0 12 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.240 75.4-109.6 -79.4 163.5 -22.0 28.5 -22.9 51 61 A T > - 0 0 52 1,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.606 34.8-111.6 -81.5 152.5 -19.6 31.4 -22.3 52 62 A S H > S+ 0 0 3 22,-0.8 4,-2.1 1,-0.2 5,-0.2 0.871 119.3 53.7 -54.8 -36.3 -19.8 32.9 -18.9 53 63 A H H > S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.893 105.7 51.6 -67.5 -39.2 -21.3 36.0 -20.4 54 64 A E H > S+ 0 0 87 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.918 107.8 53.5 -60.6 -45.8 -24.1 34.1 -22.2 55 65 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.960 112.2 42.9 -52.6 -58.2 -25.0 32.5 -18.9 56 66 A V H X S+ 0 0 3 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.932 111.1 57.1 -52.4 -50.3 -25.3 35.8 -17.1 57 67 A A H X S+ 0 0 25 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.899 108.6 46.7 -45.2 -48.4 -27.2 37.2 -20.2 58 68 A W H X S+ 0 0 41 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.939 109.6 52.6 -62.3 -49.4 -29.7 34.4 -19.8 59 69 A I H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.936 108.3 52.6 -54.2 -46.7 -30.1 35.0 -16.1 60 70 A K H X>S+ 0 0 57 -4,-3.2 4,-1.7 1,-0.2 5,-1.7 0.964 114.0 41.4 -48.4 -62.6 -30.8 38.6 -16.9 61 71 A K H <5S+ 0 0 163 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 116.5 47.6 -54.8 -46.1 -33.5 37.8 -19.4 62 72 A I H <5S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 122.1 33.5 -75.0 -32.0 -35.2 35.0 -17.4 63 73 A L H <5S- 0 0 10 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.557 106.6-123.4 -96.9 -7.1 -35.3 36.9 -14.1 64 74 A N T <5 + 0 0 127 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.923 49.7 165.7 65.3 47.7 -35.8 40.3 -15.8 65 75 A L < - 0 0 19 -5,-1.7 -1,-0.2 -6,-0.2 3,-0.1 -0.656 40.7-141.7 -91.6 149.1 -32.8 42.0 -14.1 66 76 A E S S- 0 0 163 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.712 81.8 -7.2 -84.6 -21.5 -31.5 45.3 -15.4 67 77 A K + 0 0 125 -7,-0.1 20,-2.7 2,-0.0 -1,-0.3 -0.968 60.8 159.9-169.6 156.7 -28.0 44.1 -14.9 68 78 A A E -J 86 0B 17 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.961 11.9-163.3-165.6 170.4 -25.7 41.4 -13.5 69 79 A G E -J 85 0B 13 16,-1.9 16,-1.8 -2,-0.3 2,-0.3 -0.979 18.2-112.2-159.8 169.0 -22.2 40.1 -13.7 70 80 A H E -J 84 0B 42 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.719 18.3-126.6-113.6 160.2 -20.0 37.1 -12.9 71 81 A G S S- 0 0 0 12,-2.2 13,-0.1 1,-0.3 2,-0.0 -0.442 85.1 -13.2-107.1 59.4 -17.1 36.5 -10.5 72 82 A G S S- 0 0 11 -2,-0.6 -1,-0.3 10,-0.1 2,-0.1 0.280 84.3 -96.3 114.9 119.2 -14.3 35.2 -12.6 73 83 A T - 0 0 90 -3,-0.1 2,-0.4 9,-0.1 -22,-0.0 -0.351 28.9-159.4 -69.3 134.2 -14.6 33.9 -16.2 74 84 A L - 0 0 4 -2,-0.1 -22,-0.8 4,-0.1 6,-0.1 -0.949 24.9-118.2-107.3 134.2 -15.1 30.2 -17.0 75 85 A D > - 0 0 87 -2,-0.4 3,-3.2 -24,-0.1 -26,-0.1 -0.411 32.8-104.7 -68.5 146.6 -14.2 28.9 -20.5 76 86 A P T 3 S+ 0 0 54 0, 0.0 -27,-3.5 0, 0.0 -1,-0.1 0.744 120.1 51.7 -44.5 -39.5 -17.1 27.4 -22.4 77 87 A K T 3 S+ 0 0 155 -29,-0.2 116,-0.4 -28,-0.1 2,-0.3 0.532 98.8 90.9 -76.1 -4.7 -16.0 23.8 -22.0 78 88 A V < - 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0 0 36 -3,-1.6 2,-0.3 -5,-0.1 -163,-0.2 -0.542 53.1-176.0 -68.9 117.8 -24.7 25.8 -5.2 208 218 A I B -i 44 0B 12 -165,-2.1 -163,-2.4 -2,-0.5 2,-0.1 -0.884 20.7-128.2-125.9 145.9 -27.6 25.8 -7.7 209 219 A T > - 0 0 25 -2,-0.3 4,-2.6 -165,-0.2 5,-0.2 -0.415 30.6-110.5 -85.1 165.0 -28.0 24.8 -11.4 210 220 A L H > S+ 0 0 4 -165,-0.5 4,-2.4 1,-0.2 5,-0.3 0.892 118.7 54.5 -59.6 -40.3 -29.6 27.0 -14.1 211 221 A H H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 111.5 41.3 -59.9 -50.7 -32.5 24.6 -14.1 212 222 A D H > S+ 0 0 43 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.919 112.4 56.8 -65.5 -42.1 -33.3 24.8 -10.4 213 223 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.939 113.5 38.1 -55.4 -51.8 -32.7 28.6 -10.4 214 224 A V H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.922 117.1 51.4 -68.5 -41.4 -35.3 29.2 -13.1 215 225 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 3,-0.2 0.960 109.8 48.7 -60.5 -50.7 -37.7 26.6 -11.7 216 226 A Y H < S+ 0 0 48 -4,-3.7 13,-0.5 1,-0.2 4,-0.3 0.885 109.8 53.9 -54.4 -42.4 -37.5 28.1 -8.2 217 227 A Y H >X S+ 0 0 22 -4,-1.8 4,-2.2 -5,-0.3 3,-1.0 0.876 108.7 47.5 -60.3 -41.1 -38.1 31.6 -9.6 218 228 A Y H 3X>S+ 0 0 66 -4,-2.1 4,-2.8 1,-0.2 5,-0.9 0.894 103.6 62.9 -67.0 -35.4 -41.3 30.4 -11.4 219 229 A F H 3<5S+ 0 0 0 -4,-2.4 6,-1.9 1,-0.2 -1,-0.2 0.627 110.4 41.3 -61.7 -12.1 -42.3 28.7 -8.2 220 230 A W H <>5S+ 0 0 42 -3,-1.0 4,-0.8 -4,-0.3 -2,-0.2 0.817 116.4 43.0-102.9 -45.3 -42.4 32.2 -6.8 221 231 A K H <5S+ 0 0 128 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.848 131.1 24.8 -69.9 -34.1 -44.0 34.3 -9.6 222 232 A E T <5S+ 0 0 103 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.1 0.853 131.1 34.7 -99.5 -42.3 -46.7 31.6 -10.3 223 233 A D T 4 + 0 0 65 -2,-0.6 4,-2.2 2,-0.1 5,-0.2 0.678 58.7 84.5-102.3 -19.2 -40.6 32.6 -2.0 227 237 A E H > S+ 0 0 127 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.861 94.0 42.5 -53.9 -44.8 -38.6 30.0 0.1 228 238 A Y H >> S+ 0 0 71 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.970 115.5 45.8 -71.6 -52.3 -36.9 28.2 -2.8 229 239 A F H 3> S+ 0 0 2 -13,-0.5 4,-0.7 -4,-0.4 -1,-0.2 0.820 111.5 55.5 -58.7 -32.5 -36.0 31.2 -4.9 230 240 A R H >< S+ 0 0 51 -4,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.864 104.7 52.2 -67.6 -36.0 -34.7 32.9 -1.7 231 241 A K H << S+ 0 0 115 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.721 103.4 58.6 -72.9 -22.9 -32.4 29.9 -1.0 232 242 A A H 3< S+ 0 0 2 -4,-1.1 -189,-0.5 -3,-0.2 2,-0.5 0.717 101.4 64.6 -79.1 -22.1 -30.9 30.2 -4.5 233 243 A I E << S-G 42 0B 1 -4,-0.7 -191,-0.2 -3,-0.5 -1,-0.1 -0.888 72.0-155.7-111.3 127.8 -29.8 33.7 -3.9 234 244 A Q E -G 41 0B 16 -193,-4.1 -193,-2.7 -2,-0.5 2,-0.2 -0.731 29.8 -97.0-100.4 152.7 -27.2 34.7 -1.3 235 245 A P E > -G 40 0B 31 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.468 34.5-121.1 -59.5 133.4 -26.7 38.0 0.5 236 246 A M G > S+ 0 0 0 -197,-2.1 3,-1.5 1,-0.3 4,-0.4 0.780 109.1 78.0 -53.2 -29.9 -24.0 40.0 -1.3 237 247 A E G > S+ 0 0 16 1,-0.3 3,-2.2 -198,-0.2 -1,-0.3 0.866 83.6 63.5 -42.3 -42.3 -22.2 39.9 2.1 238 248 A K G X S+ 0 0 42 -3,-2.5 3,-1.7 1,-0.3 -1,-0.3 0.885 95.7 59.0 -51.2 -40.1 -21.2 36.3 1.2 239 249 A A G < S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.628 108.9 43.8 -65.5 -11.8 -19.3 37.7 -1.7 240 250 A V G X S+ 0 0 0 -3,-2.2 3,-0.9 -4,-0.4 -1,-0.3 0.205 80.6 108.2-122.4 13.1 -17.2 39.8 0.7 241 251 A E T < S+ 0 0 104 -3,-1.7 -1,-0.1 1,-0.2 -2,-0.1 0.665 77.7 50.1 -71.5 -20.0 -16.7 37.0 3.2 242 252 A H T 3 S+ 0 0 21 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.549 94.0 92.2 -95.8 -10.7 -13.0 36.5 2.4 243 253 A L S < S- 0 0 14 -3,-0.9 2,-0.1 1,-0.1 37,-0.1 -0.506 86.2-101.2 -82.8 153.6 -12.0 40.2 2.6 244 254 A P - 0 0 11 0, 0.0 37,-2.7 0, 0.0 2,-0.4 -0.491 45.8-141.8 -65.6 144.1 -10.7 42.0 5.7 245 255 A K E -b 281 0A 26 35,-0.2 26,-2.1 -2,-0.1 2,-0.5 -0.871 22.4-164.0-119.6 140.9 -13.5 44.0 7.3 246 256 A V E -bC 282 270A 0 35,-2.2 37,-3.0 -2,-0.4 2,-0.6 -0.988 18.8-153.8-113.8 117.8 -13.8 47.3 9.0 247 257 A W E -bC 283 269A 20 22,-3.3 21,-2.7 -2,-0.5 22,-1.8 -0.830 15.1-162.5 -90.4 119.7 -17.1 47.5 11.0 248 258 A I E - C 0 267A 0 35,-2.9 37,-0.3 -2,-0.6 19,-0.2 -0.519 17.8-107.5 -98.0 166.5 -18.3 51.1 11.3 249 259 A K >> - 0 0 50 17,-2.7 3,-2.7 -2,-0.2 4,-0.8 -0.570 32.6-105.6 -92.7 163.8 -20.8 52.6 13.7 250 260 A D H >> S+ 0 0 11 -231,-0.5 4,-0.7 1,-0.3 3,-0.6 0.817 116.6 64.8 -62.0 -34.5 -24.3 53.8 12.8 251 261 A S H 34 S+ 0 0 70 1,-0.2 75,-0.3 2,-0.1 -1,-0.3 0.668 107.5 44.3 -53.8 -21.8 -23.2 57.5 13.0 252 262 A A H <> S+ 0 0 12 -3,-2.7 4,-1.9 14,-0.2 -1,-0.2 0.662 90.8 82.3-104.1 -20.6 -20.9 56.9 10.1 253 263 A V H S+ 0 0 22 -4,-0.2 5,-2.7 2,-0.2 3,-0.3 0.944 108.9 45.0 -57.0 -46.9 -21.8 59.6 5.6 256 266 A V H ><5S+ 0 0 1 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.944 111.8 50.0 -64.5 -45.8 -20.2 56.8 3.6 257 267 A T H 3<5S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.706 108.9 55.3 -67.4 -16.6 -23.2 56.2 1.4 258 268 A H T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.239 131.7 -89.5 -99.3 10.0 -23.3 59.9 0.7 259 269 A G T < 5S+ 0 0 62 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.581 79.9 135.8 97.1 12.3 -19.7 59.9 -0.5 260 270 A A < - 0 0 43 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.1 -0.671 53.9-122.5 -82.1 146.5 -17.5 60.5 2.5 261 271 A D - 0 0 65 -2,-0.3 2,-0.7 51,-0.1 51,-0.2 -0.468 41.4 -91.8 -75.6 160.1 -14.4 58.4 3.0 262 272 A L E -D 311 0A 3 49,-1.9 48,-1.9 -2,-0.1 49,-1.8 -0.704 41.9-154.8 -84.2 115.5 -14.3 56.5 6.3 263 273 A A E > -D 309 0A 42 -2,-0.7 3,-2.3 46,-0.3 4,-0.3 -0.598 27.1-109.4 -86.7 148.6 -12.5 58.4 9.0 264 274 A V G > S+ 0 0 0 44,-2.4 3,-1.8 1,-0.3 43,-0.1 0.800 113.0 60.2 -39.5 -48.6 -10.9 56.6 12.0 265 275 A P G 3 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 44,-0.1 0.641 95.7 62.9 -62.0 -17.0 -13.5 57.8 14.6 266 276 A G G < S+ 0 0 14 -3,-2.3 -17,-2.7 -14,-0.1 2,-0.3 0.568 82.5 107.5 -83.9 -7.2 -16.3 56.0 12.8 267 277 A I E < + C 0 248A 1 -3,-1.8 -19,-0.2 -4,-0.3 3,-0.1 -0.528 36.9 171.5 -81.2 128.7 -14.7 52.7 13.4 268 278 A A E S- 0 0 2 -21,-2.7 -253,-2.3 1,-0.4 -254,-2.1 0.793 70.2 -20.0 -95.8 -42.1 -16.1 50.2 15.9 269 279 A K E -AC 13 247A 63 -22,-1.8 -22,-3.3 -256,-0.2 -1,-0.4 -0.984 59.5-170.8-166.9 157.5 -13.9 47.2 15.1 270 280 A L E -AC 12 246A 0 -258,-1.8 -258,-2.7 -2,-0.3 -24,-0.2 -0.966 30.8 -93.6-150.8 159.2 -11.7 45.8 12.4 271 281 A H E -A 11 0A 24 -26,-2.1 3,-0.5 -2,-0.3 -260,-0.2 -0.509 45.0-115.4 -70.1 145.1 -9.7 42.8 11.3 272 282 A A S S+ 0 0 23 -262,-2.3 -1,-0.1 1,-0.2 -262,-0.1 -0.395 90.1 37.8 -76.3 158.8 -6.0 42.6 12.2 273 283 A G + 0 0 55 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.779 67.5 156.9 73.7 29.6 -3.3 42.7 9.6 274 284 A I - 0 0 2 -3,-0.5 25,-1.6 -29,-0.1 2,-0.3 -0.787 26.8-155.3 -85.3 124.6 -4.8 45.1 7.1 275 285 A K > - 0 0 123 -2,-0.6 3,-2.2 23,-0.2 20,-0.3 -0.707 30.8 -91.4 -95.2 150.0 -2.0 46.7 5.1 276 286 A R T 3 S+ 0 0 149 -2,-0.3 20,-0.2 1,-0.3 22,-0.1 -0.432 116.2 27.7 -60.1 127.6 -2.3 50.1 3.4 277 287 A G T 3 S+ 0 0 38 18,-2.8 -1,-0.3 1,-0.4 19,-0.1 0.268 90.6 134.0 102.8 -10.4 -3.7 49.6 -0.1 278 288 A D < - 0 0 39 -3,-2.2 17,-2.3 17,-0.1 2,-0.6 -0.298 64.7-104.9 -68.4 155.3 -5.5 46.4 0.8 279 289 A L E - E 0 294A 28 15,-0.2 2,-0.4 -3,-0.1 15,-0.2 -0.722 45.7-174.1 -79.9 122.0 -9.1 45.8 -0.4 280 290 A V E - E 0 293A 0 13,-2.7 13,-2.0 -2,-0.6 2,-0.6 -0.931 23.5-139.2-121.7 145.7 -11.4 46.2 2.6 281 291 A A E -bE 245 292A 0 -37,-2.7 -35,-2.2 -2,-0.4 2,-0.6 -0.920 18.5-146.3 -97.8 119.3 -15.1 45.6 3.1 282 292 A I E -bE 246 291A 0 9,-3.5 8,-2.8 -2,-0.6 9,-1.5 -0.773 24.8-166.1 -84.1 119.6 -16.7 48.3 5.3 283 293 A M E -bE 247 289A 1 -37,-3.0 -35,-2.9 -2,-0.6 6,-0.2 -0.853 22.2-125.3-117.0 143.9 -19.5 46.8 7.3 284 294 A T > - 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