==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-01 1KA9 . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHTATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR R.OMI,I.MIYAHARA,K.HIROTSU,RIKEN STRUCTURAL . 446 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 1 1 0 0 2 5 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 5 4 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 PARALLEL BRIDGES PER LADDER . 0 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 1 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 3 H M 0 0 82 0, 0.0 25,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.2 30.7 4.9 56.7 2 4 H K E -a 26 0A 66 36,-0.2 39,-2.6 23,-0.2 38,-1.0 -0.811 360.0-167.4 -97.5 132.7 30.5 7.5 59.5 3 5 H A E -ab 27 41A 0 23,-2.9 25,-1.4 -2,-0.5 2,-0.6 -0.956 11.2-155.8-121.1 138.8 33.1 7.2 62.3 4 6 H L E -ab 28 42A 0 37,-2.7 39,-2.5 -2,-0.4 2,-0.5 -0.965 13.2-150.1-114.1 116.1 33.1 9.0 65.6 5 7 H L E -ab 29 43A 0 23,-3.2 2,-0.7 -2,-0.6 25,-0.7 -0.781 19.9-126.5 -87.4 124.1 36.6 9.4 67.1 6 8 H I E -a 30 0A 0 37,-3.0 2,-0.6 -2,-0.5 25,-0.2 -0.619 21.4-164.2 -81.1 112.7 36.4 9.4 70.9 7 9 H D + 0 0 47 23,-1.9 4,-0.1 -2,-0.7 37,-0.0 -0.825 34.3 135.6 -94.2 119.4 38.1 12.4 72.5 8 10 H Y S S- 0 0 26 -2,-0.6 -1,-0.2 2,-0.5 3,-0.1 0.507 84.9 -54.7-139.1 -16.5 38.7 11.8 76.2 9 11 H G S S+ 0 0 59 1,-0.5 2,-0.3 48,-0.0 -2,-0.1 0.201 111.9 38.2 160.2 -17.9 42.2 13.0 76.9 10 12 H S + 0 0 18 35,-0.1 -2,-0.5 1,-0.1 -1,-0.5 -0.934 56.5 93.3-149.7 168.2 44.6 11.2 74.5 11 13 H G S S- 0 0 4 -2,-0.3 5,-0.3 34,-0.1 35,-0.1 0.482 79.0-106.9 124.3 4.5 45.0 9.9 71.0 12 14 H N >> - 0 0 30 1,-0.2 3,-1.4 3,-0.1 4,-0.9 0.810 48.5-169.3 44.7 32.5 46.7 12.6 68.8 13 15 H L H 3> + 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.572 69.3 63.7 -26.6 -32.4 43.2 12.9 67.4 14 16 H R H 3> S+ 0 0 75 276,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.972 104.7 41.6 -66.3 -53.5 44.3 15.2 64.5 15 17 H S H <> S+ 0 0 6 -3,-1.4 4,-2.9 2,-0.2 5,-0.2 0.926 119.5 45.2 -58.9 -46.6 46.5 12.7 62.7 16 18 H A H X S+ 0 0 3 -4,-0.9 4,-2.5 -5,-0.3 -1,-0.2 0.924 111.8 52.9 -64.3 -42.5 44.1 9.8 63.3 17 19 H A H X S+ 0 0 8 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.943 113.9 42.6 -57.2 -48.2 41.2 11.9 62.2 18 20 H K H X S+ 0 0 54 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.878 110.9 54.7 -67.0 -39.8 43.0 12.9 59.0 19 21 H A H X S+ 0 0 1 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.899 110.1 48.9 -60.9 -38.4 44.2 9.3 58.4 20 22 H L H <>S+ 0 0 3 -4,-2.5 5,-1.9 2,-0.2 4,-0.5 0.929 111.1 47.4 -67.1 -46.1 40.6 8.1 58.6 21 23 H E H ><5S+ 0 0 97 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.921 110.5 54.0 -60.5 -43.2 39.2 10.8 56.2 22 24 H A H 3<5S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.5 54.1 -59.4 -35.3 42.0 10.0 53.8 23 25 H A T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.524 130.2 -88.9 -79.0 -7.3 41.0 6.3 53.9 24 26 H G T < 5S+ 0 0 43 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.1 0.212 83.6 129.0 121.5 -15.8 37.3 7.0 53.0 25 27 H F < - 0 0 8 -5,-1.9 2,-0.7 -6,-0.2 -1,-0.3 -0.427 57.6-130.8 -77.6 146.8 35.6 7.5 56.3 26 28 H S E -a 2 0A 61 -25,-2.3 -23,-2.9 -2,-0.1 2,-0.3 -0.869 40.2-153.2 -90.6 117.9 33.4 10.5 57.2 27 29 H V E +a 3 0A 26 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.726 25.5 173.4-105.4 150.4 35.0 11.5 60.5 28 30 H A E -a 4 0A 12 -25,-1.4 -23,-3.2 -2,-0.3 2,-0.2 -0.981 14.9-154.5-148.3 134.9 33.7 13.3 63.6 29 31 H V E +a 5 0A 62 -2,-0.3 2,-0.2 -25,-0.2 -23,-0.2 -0.533 22.1 167.3 -99.1 172.8 35.4 13.9 66.9 30 32 H A E -a 6 0A 14 -25,-0.7 -23,-1.9 -2,-0.2 -2,-0.0 -0.707 33.7-160.9 172.4 134.9 33.4 14.4 70.1 31 33 H Q S S+ 0 0 151 -2,-0.2 31,-0.1 -25,-0.2 -25,-0.1 0.304 72.8 85.5-107.1 5.3 33.9 14.5 73.9 32 34 H D S > S- 0 0 96 1,-0.1 3,-2.9 29,-0.0 29,-0.1 -0.943 77.3-132.2-114.9 124.8 30.2 14.0 74.8 33 35 H P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 28,-0.0 0.530 105.8 41.2 -44.3 -16.3 28.8 10.4 75.1 34 36 H K T 3 S+ 0 0 123 31,-0.0 3,-0.2 0, 0.0 2,-0.2 0.215 81.2 119.0-123.7 17.1 25.7 11.3 73.1 35 37 H A S < S+ 0 0 27 -3,-2.9 -5,-0.0 1,-0.2 -31,-0.0 -0.550 83.8 9.6 -76.2 148.1 27.2 13.5 70.4 36 38 H H - 0 0 91 -2,-0.2 3,-0.5 1,-0.1 -1,-0.2 0.901 68.6-176.9 41.8 89.3 26.6 11.9 67.0 37 39 H E S S+ 0 0 123 -3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.747 76.7 63.4 -83.3 -28.1 24.1 9.1 67.8 38 40 H E S S+ 0 0 166 2,-0.0 -1,-0.2 0, 0.0 -36,-0.2 0.317 71.2 133.3 -82.0 7.8 24.1 7.9 64.2 39 41 H A - 0 0 12 -3,-0.5 -36,-0.1 1,-0.1 3,-0.1 -0.409 38.1-166.9 -65.4 130.3 27.8 7.0 64.1 40 42 H D S S+ 0 0 76 -38,-1.0 2,-0.5 1,-0.2 -37,-0.2 0.927 74.3 41.6 -79.1 -51.8 28.4 3.5 62.6 41 43 H L E -b 3 0A 0 -39,-2.6 -37,-2.7 33,-0.1 2,-0.4 -0.891 69.2-157.1-106.4 121.3 32.0 3.1 63.7 42 44 H L E -bc 4 76A 1 33,-2.0 35,-2.5 -2,-0.5 2,-0.5 -0.798 11.7-157.2 -93.8 137.8 33.3 4.1 67.1 43 45 H V E -bc 5 77A 0 -39,-2.5 -37,-3.0 -2,-0.4 35,-0.2 -0.960 7.3-165.3-122.8 118.7 37.0 4.7 67.3 44 46 H L E + c 0 78A 1 33,-2.7 35,-3.1 -2,-0.5 38,-0.2 -0.873 17.0 174.1-103.2 108.9 38.9 4.5 70.6 45 47 H P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 -35,-0.1 -0.383 6.4 157.7-100.8-174.2 42.4 6.1 70.3 46 48 H G - 0 0 4 -35,-0.1 35,-1.4 -2,-0.1 2,-0.3 -0.612 27.2-169.6 156.6 144.1 44.9 6.6 73.1 47 49 H Q + 0 0 33 -2,-0.2 2,-0.2 33,-0.1 270,-0.1 -0.978 56.6 38.3-145.3 145.2 48.4 7.2 74.4 48 50 H G S S+ 0 0 13 -2,-0.3 268,-0.1 268,-0.1 267,-0.1 -0.522 92.4 0.6 109.5-178.1 49.6 7.1 78.0 49 51 H H > - 0 0 86 265,-0.2 4,-3.4 -2,-0.2 5,-0.2 -0.085 50.6-138.2 -49.1 135.7 48.9 5.0 81.2 50 52 H F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.862 110.9 47.4 -63.2 -36.2 46.4 2.1 81.0 51 53 H G H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.967 113.0 46.8 -69.2 -52.4 45.3 3.4 84.4 52 54 H Q H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.910 115.4 46.2 -55.3 -46.8 45.1 7.0 83.3 53 55 H V H < S+ 0 0 1 -4,-3.4 4,-0.3 1,-0.2 -1,-0.2 0.938 112.2 49.3 -64.3 -47.3 43.2 6.0 80.1 54 56 H M H < S+ 0 0 26 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.868 116.9 42.5 -60.5 -38.2 40.7 3.7 81.8 55 57 H R H >< S+ 0 0 55 -4,-2.4 3,-2.7 2,-0.2 4,-0.4 0.985 113.9 47.4 -72.1 -59.9 39.9 6.3 84.4 56 58 H A T 3< S+ 0 0 23 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.514 112.0 57.4 -60.7 1.2 39.8 9.3 82.1 57 59 H F T 3 S+ 0 0 2 -4,-0.3 6,-0.6 -5,-0.2 -1,-0.3 0.589 106.4 43.8-105.5 -17.3 37.6 6.9 80.0 58 60 H Q S < S+ 0 0 109 -3,-2.7 -2,-0.2 -4,-0.5 -3,-0.1 0.129 106.9 64.9-109.3 12.7 35.0 6.3 82.8 59 61 H E S S+ 0 0 166 -4,-0.4 -2,-0.2 1,-0.1 -3,-0.1 0.709 101.2 47.2 -98.7 -38.3 35.1 10.1 83.5 60 62 H S S S- 0 0 23 -4,-0.3 -2,-0.1 -5,-0.2 -3,-0.1 0.354 105.4-134.7 -84.5 4.1 33.7 10.8 80.1 61 63 H G > + 0 0 22 1,-0.2 3,-1.7 -29,-0.1 4,-0.5 0.428 66.6 132.2 56.8 -4.5 31.1 8.1 80.8 62 64 H F T 3> + 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.615 45.6 87.3 -52.8 -14.1 31.8 6.8 77.3 63 65 H V H 3> S+ 0 0 20 -6,-0.6 4,-3.0 1,-0.2 -1,-0.3 0.888 86.2 51.5 -55.8 -39.4 32.1 3.3 78.7 64 66 H E H <> S+ 0 0 103 -3,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.928 109.1 49.8 -62.5 -46.8 28.4 2.7 78.4 65 67 H R H > S+ 0 0 26 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.916 116.2 41.4 -57.8 -49.2 28.3 3.8 74.7 66 68 H V H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.944 113.9 51.8 -67.0 -48.7 31.2 1.5 73.8 67 69 H R H X S+ 0 0 106 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.923 114.9 43.2 -54.6 -46.0 30.0 -1.4 75.9 68 70 H R H X S+ 0 0 130 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.3 0.768 112.0 53.9 -71.4 -26.8 26.6 -1.1 74.2 69 71 H H H <>S+ 0 0 8 -4,-1.5 5,-1.9 -5,-0.2 -2,-0.2 0.872 113.1 42.8 -74.0 -38.1 28.1 -0.6 70.8 70 72 H L H ><5S+ 0 0 23 -4,-2.7 3,-2.0 2,-0.2 -2,-0.2 0.932 111.4 52.8 -72.4 -47.9 30.2 -3.8 71.1 71 73 H E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.7 54.7 -56.3 -35.4 27.4 -5.9 72.6 72 74 H R T 3<5S- 0 0 160 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.446 114.0-116.8 -81.8 0.9 25.2 -4.8 69.6 73 75 H G T < 5 + 0 0 40 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.677 62.0 148.2 74.8 18.2 27.8 -6.1 67.0 74 76 H L < - 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0 0 51 -3,-2.1 -2,-0.1 3,-0.1 -1,-0.1 0.673 68.9-147.5-109.5 -28.1 81.8 18.4 57.8 375 180 F K < + 0 0 100 -4,-0.6 26,-0.1 25,-0.1 3,-0.1 0.649 65.2 114.6 68.0 17.2 80.7 15.4 55.6 376 181 F E S S- 0 0 146 -5,-0.3 24,-0.2 1,-0.3 -1,-0.1 0.325 84.7 -82.6 -99.4 7.0 83.5 13.2 57.0 377 182 F G - 0 0 1 22,-3.0 -1,-0.3 -6,-0.2 23,-0.2 -0.174 53.8 -59.1 112.1 155.6 81.2 10.7 58.6 378 183 F Y - 0 0 3 27,-0.2 2,-1.4 1,-0.1 21,-0.1 -0.253 59.6 -97.5 -67.4 159.3 79.2 10.3 61.9 379 184 F D > - 0 0 9 19,-0.4 4,-2.3 18,-0.2 5,-0.2 -0.654 43.1-178.1 -80.5 93.5 81.1 10.3 65.2 380 185 F L H > S+ 0 0 49 -2,-1.4 4,-2.8 2,-0.2 5,-0.2 0.877 76.6 53.6 -61.2 -41.3 81.3 6.5 65.7 381 186 F R H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.985 112.6 41.7 -57.2 -63.6 83.0 6.8 69.1 382 187 F L H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.909 116.6 50.5 -50.1 -49.5 80.4 9.0 70.6 383 188 F T H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.906 109.9 48.2 -57.6 -48.7 77.6 7.0 69.1 384 189 F R H X S+ 0 0 124 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.914 110.9 51.2 -61.1 -45.1 78.9 3.6 70.2 385 190 F M H X S+ 0 0 75 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.860 115.1 40.8 -62.8 -38.9 79.4 4.8 73.8 386 191 F V H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 3,-0.3 0.910 112.8 55.1 -77.2 -41.5 75.9 6.2 74.2 387 192 F A H < S+ 0 0 4 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.881 110.8 43.4 -59.5 -39.6 74.2 3.4 72.4 388 193 F E H < S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.726 113.0 55.1 -79.7 -18.5 75.6 0.7 74.6 389 194 F A H < S+ 0 0 41 -4,-0.7 2,-0.3 -3,-0.3 -2,-0.2 0.819 104.6 54.8 -82.4 -33.4 74.9 2.8 77.7 390 195 F V < - 0 0 13 -4,-2.0 -36,-0.1 2,-0.1 4,-0.1 -0.706 66.0-141.9-108.3 156.9 71.2 3.4 77.2 391 196 F G S S+ 0 0 42 -2,-0.3 -277,-2.3 -37,-0.1 -4,-0.1 0.013 78.1 81.3-100.1 28.6 68.2 1.1 76.6 392 197 F V S S- 0 0 4 -279,-0.2 -29,-0.2 -5,-0.1 -2,-0.1 -0.883 91.1 -81.6-129.2 160.7 66.5 3.4 74.1 393 198 F P - 0 0 4 0, 0.0 -29,-2.3 0, 0.0 2,-0.4 -0.307 40.8-148.3 -62.5 143.9 67.0 4.0 70.3 394 199 F V E -u 364 0F 0 19,-0.3 21,-2.1 -31,-0.2 22,-1.5 -0.957 3.0-154.5-118.4 132.5 69.8 6.3 69.3 395 200 F I E -uv 365 416F 5 -31,-2.5 -29,-1.8 -2,-0.4 2,-0.3 -0.931 16.5-139.8-108.2 113.4 69.7 8.6 66.2 396 201 F A E -uv 366 417F 0 20,-2.7 22,-3.0 -2,-0.6 2,-0.4 -0.582 27.0-177.8 -74.9 131.1 73.1 9.4 64.9 397 202 F S E +uv 367 418F 13 -31,-2.1 -29,-2.3 -2,-0.3 -18,-0.2 -0.993 35.2 36.8-137.1 136.5 73.4 13.1 63.8 398 203 F G S S+ 0 0 6 20,-0.6 -19,-0.4 -2,-0.4 -26,-0.3 0.657 89.9 44.8 96.9 111.0 76.1 15.2 62.2 399 204 F G + 0 0 6 1,-0.3 -22,-3.0 -21,-0.1 -21,-0.1 0.212 59.5 148.8 118.4 -18.2 78.7 14.3 59.6 400 205 F A + 0 0 12 18,-0.3 -1,-0.3 -24,-0.2 22,-0.2 -0.231 9.1 135.7 -53.7 132.4 76.9 12.3 56.9 401 206 F G + 0 0 14 1,-0.5 2,-0.3 -26,-0.1 -1,-0.2 0.434 61.3 39.0-149.8 -24.0 78.4 12.7 53.5 402 207 F R S >> S- 0 0 134 1,-0.1 3,-1.4 26,-0.0 4,-0.6 -0.945 79.4-113.4-134.0 154.4 78.7 9.3 51.8 403 208 F M H >> S+ 0 0 66 -2,-0.3 3,-1.5 1,-0.3 4,-1.1 0.883 113.8 61.4 -54.7 -42.6 76.4 6.2 51.7 404 209 F E H 3> S+ 0 0 82 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.759 90.8 69.0 -57.2 -26.6 79.0 4.2 53.7 405 210 F H H <> S+ 0 0 7 -3,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.856 97.7 51.9 -62.3 -33.4 78.7 6.6 56.6 406 211 F F H S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -1,-0.2 0.834 110.5 49.8 -61.4 -33.8 76.6 4.4 62.1 410 215 F F H ><5S+ 0 0 10 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.866 108.5 50.2 -73.9 -37.1 74.3 1.4 62.1 411 216 F Q H 3<5S+ 0 0 142 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.649 104.7 62.3 -74.8 -13.2 77.1 -1.1 62.9 412 217 F A T 3<5S- 0 0 7 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.479 129.6 -91.1 -89.7 -3.5 78.0 1.3 65.8 413 218 F G T < 5S+ 0 0 19 -3,-1.2 -19,-0.3 1,-0.3 -3,-0.2 0.271 77.4 142.4 114.6 -11.5 74.7 0.8 67.5 414 219 F A < - 0 0 0 -5,-2.1 -1,-0.3 1,-0.1 -19,-0.2 -0.387 36.1-162.7 -65.7 136.9 72.5 3.6 66.0 415 220 F E S S+ 0 0 26 -21,-2.1 -214,-2.3 1,-0.2 2,-0.3 0.568 78.1 21.1 -92.8 -11.5 68.9 2.7 65.4 416 221 F A E -lv 201 395F 0 -22,-1.5 -20,-2.7 -216,-0.2 2,-0.4 -0.992 65.3-144.6-155.5 152.3 68.5 5.7 63.0 417 222 F A E -lv 202 396F 0 -216,-2.8 -214,-3.0 -2,-0.3 2,-0.4 -0.983 15.2-158.0-125.2 126.8 70.6 8.0 61.0 418 223 F L E +lv 203 397F 13 -22,-3.0 -20,-0.6 -2,-0.4 -18,-0.3 -0.813 19.8 156.0-106.7 143.2 69.8 11.7 60.5 419 224 F A E -l 204 0F 7 -216,-1.8 -214,-2.5 -2,-0.4 -18,-0.0 -0.981 15.2-179.6-156.7 161.9 70.9 14.0 57.7 420 225 F A S >> S+ 0 0 25 -2,-0.3 4,-2.9 -216,-0.2 3,-1.9 0.480 72.6 31.6-127.0 -88.9 69.8 17.2 56.0 421 226 F S H 3> S+ 0 0 37 1,-0.3 4,-2.4 2,-0.2 6,-0.4 0.785 112.3 60.7 -50.3 -39.9 71.6 18.9 53.1 422 227 F V H 34>S+ 0 0 7 1,-0.2 6,-2.6 2,-0.2 5,-0.5 0.763 116.8 35.0 -63.1 -22.5 73.0 15.7 51.5 423 228 F F H X45S+ 0 0 3 -3,-1.9 3,-1.6 4,-0.2 -2,-0.2 0.850 114.9 55.7 -92.8 -48.3 69.3 14.7 51.1 424 229 F H H 3<5S+ 0 0 2 -4,-2.9 -206,-2.4 1,-0.3 -205,-0.3 0.836 113.2 40.1 -54.5 -39.4 67.9 18.1 50.4 425 230 F F T 3<5S- 0 0 86 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.191 114.0-109.5 -99.9 16.8 70.2 18.8 47.4 426 231 F G T < 5S+ 0 0 32 -3,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.624 78.1 129.3 69.5 15.5 70.1 15.3 45.9 427 232 F E S > - 0 0 62 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.561 15.5-135.4 -72.9 131.4 68.9 9.9 47.1 430 235 F I H 3> S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.854 100.8 55.1 -54.2 -42.0 67.1 7.9 49.8 431 236 F P H 3> S+ 0 0 60 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.865 111.1 45.9 -62.7 -32.9 65.8 5.1 47.5 432 237 F K H <> S+ 0 0 113 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.838 110.2 54.0 -76.5 -34.3 69.4 4.4 46.4 433 238 F L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.917 107.5 51.0 -64.8 -45.8 70.7 4.6 49.9 434 239 F K H X S+ 0 0 7 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.898 109.4 48.3 -62.0 -41.0 68.2 1.9 51.1 435 240 F R H X S+ 0 0 135 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.851 111.3 52.4 -68.5 -31.2 69.1 -0.5 48.3 436 241 F Y H X S+ 0 0 37 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.942 112.4 44.1 -66.8 -48.8 72.7 -0.0 49.1 437 242 F L H ><>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.6 0.922 113.5 51.5 -62.4 -44.9 72.1 -0.8 52.8 438 243 F A H ><5S+ 0 0 37 -4,-2.9 3,-2.8 1,-0.3 -2,-0.2 0.956 107.8 50.3 -57.3 -51.7 69.9 -3.7 52.0 439 244 F E H 3<5S+ 0 0 147 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.719 107.3 58.8 -62.0 -15.8 72.5 -5.3 49.7 440 245 F K T <<5S- 0 0 106 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.367 125.0-102.2 -92.6 1.8 74.9 -4.8 52.6 441 246 F G T < 5S+ 0 0 72 -3,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.595 75.8 137.5 89.9 9.6 72.8 -6.9 54.9 442 247 F V < - 0 0 23 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.3 -0.752 57.7-119.5 -93.5 137.0 71.1 -4.1 56.9 443 248 F H + 0 0 81 -2,-0.4 -243,-2.8 -245,-0.1 2,-0.3 -0.645 47.5 162.3 -76.4 113.3 67.4 -4.4 57.7 444 249 F V B -k 200 0E 10 -2,-0.7 2,-0.8 -245,-0.2 -243,-0.1 -0.912 44.7-103.5-130.0 159.4 65.7 -1.4 56.1 445 250 F R + 0 0 11 -245,-0.5 -11,-0.1 -2,-0.3 -311,-0.0 -0.732 42.2 162.3 -85.8 110.8 62.1 -0.5 55.2 446 251 F L 0 0 87 -2,-0.8 -1,-0.2 -12,-0.0 -312,-0.1 0.651 360.0 360.0-103.3 -19.5 61.6 -0.9 51.4 447 252 F D 0 0 65 -314,-0.1 -265,-0.1 -208,-0.0 -313,-0.0 -0.076 360.0 360.0 -82.7 360.0 57.8 -1.1 51.2