==== 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 ISOMERASE 14-JUN-05 1ZZG . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.YAMAMOTO,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 60 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 2 2 0 4 5 2 4 3 0 0 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 6 4 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 2 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 . 2 0 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 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 1 A M 0 0 128 0, 0.0 2,-0.1 0, 0.0 372,-0.1 0.000 360.0 360.0 360.0 116.2 52.4 22.0 52.0 2 2 A L - 0 0 5 364,-0.1 2,-0.4 365,-0.0 364,-0.2 -0.463 360.0-155.1 -70.8 143.4 55.8 21.5 50.6 3 3 A R E -A 365 0A 92 362,-1.9 362,-3.0 -2,-0.1 2,-0.5 -0.987 7.0-149.5-129.8 129.8 56.0 22.4 46.8 4 4 A L E -A 364 0A 28 -2,-0.4 2,-0.5 360,-0.2 360,-0.2 -0.837 12.4-166.4 -97.9 128.5 58.5 21.1 44.2 5 5 A D E +A 363 0A 17 358,-3.0 358,-2.3 -2,-0.5 3,-0.1 -0.962 21.1 163.0-118.2 120.6 59.4 23.4 41.4 6 6 A T > + 0 0 31 -2,-0.5 3,-3.0 356,-0.2 6,-0.2 -0.035 25.9 137.3-122.9 29.3 61.2 22.1 38.3 7 7 A R T 3 S+ 0 0 110 1,-0.3 -1,-0.1 356,-0.1 355,-0.1 0.745 76.1 48.4 -48.3 -29.6 60.4 25.0 35.9 8 8 A F T 3 S+ 0 0 70 353,-0.3 -1,-0.3 1,-0.2 353,-0.2 0.180 101.0 67.4 -99.9 16.8 64.0 25.0 34.6 9 9 A L X + 0 0 12 -3,-3.0 3,-1.8 1,-0.1 -1,-0.2 -0.664 60.5 172.7-133.2 73.0 64.0 21.2 34.1 10 10 A P T 3 S+ 0 0 121 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.725 73.5 57.9 -55.6 -28.4 61.5 20.8 31.2 11 11 A G T 3> S+ 0 0 46 1,-0.2 4,-1.7 2,-0.1 3,-0.2 0.393 78.8 95.0 -88.0 6.7 62.2 17.1 30.7 12 12 A F H <> S+ 0 0 14 -3,-1.8 4,-2.9 -6,-0.2 5,-0.3 0.891 76.2 56.4 -65.5 -43.9 61.4 16.1 34.3 13 13 A P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 112.3 44.7 -57.1 -36.1 57.7 15.0 33.7 14 14 A E H > S+ 0 0 105 -4,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.868 112.9 50.5 -74.4 -36.4 58.9 12.6 31.1 15 15 A A H X S+ 0 0 10 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.877 109.0 51.3 -69.0 -37.7 61.7 11.3 33.2 16 16 A L H < S+ 0 0 4 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.961 112.9 46.1 -62.8 -50.4 59.5 10.8 36.2 17 17 A S H >< S+ 0 0 91 -4,-1.8 3,-1.4 -5,-0.3 -2,-0.2 0.946 113.9 48.1 -56.7 -51.4 57.1 8.7 34.0 18 18 A R H 3< S+ 0 0 147 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.820 117.3 41.5 -61.7 -33.7 59.9 6.7 32.4 19 19 A H T 3X S+ 0 0 34 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.306 83.0 110.5 -97.1 9.3 61.5 6.0 35.8 20 20 A G H <> S+ 0 0 7 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 0.912 78.3 45.9 -47.9 -56.0 58.2 5.3 37.4 21 21 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 111.9 52.5 -57.1 -40.3 58.7 1.5 37.8 22 22 A L H > S+ 0 0 80 2,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.908 112.0 45.0 -63.2 -44.6 62.3 2.0 39.2 23 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.901 111.1 53.2 -67.2 -41.6 61.1 4.5 41.8 24 24 A E H X S+ 0 0 76 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.895 110.9 47.1 -60.4 -41.1 58.1 2.2 42.8 25 25 A E H X S+ 0 0 63 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.880 108.4 54.5 -69.3 -38.5 60.5 -0.7 43.3 26 26 A A H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.941 111.7 45.7 -60.4 -45.1 62.9 1.5 45.3 27 27 A R H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.920 111.8 50.8 -63.8 -44.9 60.0 2.4 47.6 28 28 A R H X S+ 0 0 126 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 108.7 52.2 -58.7 -47.3 58.8 -1.2 47.9 29 29 A R H X S+ 0 0 88 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.884 111.7 46.9 -56.8 -40.6 62.3 -2.4 48.8 30 30 A L H >< S+ 0 0 0 -4,-1.8 3,-1.0 -5,-0.2 4,-0.3 0.948 113.9 45.6 -67.7 -49.6 62.5 0.2 51.6 31 31 A L H >< S+ 0 0 47 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.811 104.9 62.3 -64.8 -30.1 59.1 -0.5 53.1 32 32 A A H 3< S+ 0 0 65 -4,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.776 96.5 61.7 -66.0 -24.4 59.7 -4.3 52.9 33 33 A K T << S+ 0 0 79 -3,-1.0 3,-0.4 -4,-0.7 -1,-0.2 0.607 81.9 105.3 -78.0 -12.6 62.5 -3.8 55.3 34 34 A R S < S+ 0 0 102 -3,-1.3 2,-0.9 -4,-0.3 8,-0.0 -0.267 76.6 25.9 -67.8 155.2 60.3 -2.4 58.1 35 35 A G S S+ 0 0 75 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.224 90.5 114.5 87.1 -47.3 59.4 -4.6 61.1 36 36 A E S > S- 0 0 135 -2,-0.9 3,-1.3 -3,-0.4 -1,-0.2 -0.418 78.1-113.0 -60.2 115.8 62.7 -6.6 60.7 37 37 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.187 99.1 25.8 -51.7 139.0 64.8 -5.8 63.8 38 38 A G T 3 S+ 0 0 50 -3,-0.1 -2,-0.1 1,-0.0 145,-0.0 0.585 79.2 120.8 83.4 10.5 67.9 -3.8 62.9 39 39 A S < - 0 0 27 -3,-1.3 -6,-0.1 -6,-0.1 -5,-0.1 0.623 67.6-140.0 -80.5 -11.7 66.6 -2.2 59.8 40 40 A M + 0 0 43 1,-0.1 145,-0.4 144,-0.1 3,-0.3 0.812 63.4 126.2 57.5 35.0 67.2 1.2 61.4 41 41 A L > + 0 0 5 1,-0.2 3,-2.0 -8,-0.1 4,-0.3 0.164 25.3 115.5-106.0 16.4 63.9 2.6 60.0 42 42 A G G >> + 0 0 9 141,-2.4 3,-1.2 1,-0.3 4,-1.0 0.687 58.9 78.0 -59.6 -19.6 62.6 3.8 63.3 43 43 A W G 34 S+ 0 0 0 140,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.688 84.4 63.7 -65.2 -16.2 62.7 7.4 62.1 44 44 A M G <4 S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.799 105.8 44.9 -75.5 -27.1 59.5 6.8 60.1 45 45 A D T X4 S+ 0 0 78 -3,-1.2 3,-1.8 -4,-0.3 4,-0.2 0.643 86.1 87.6 -92.5 -17.2 57.7 6.2 63.4 46 46 A L G >< S+ 0 0 12 -4,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.844 83.4 60.1 -51.9 -38.0 58.9 9.1 65.5 47 47 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 167,-0.2 0.748 103.5 52.7 -64.6 -20.6 56.2 11.4 64.1 48 48 A E G < S+ 0 0 114 -3,-1.8 2,-1.4 -4,-0.1 -2,-0.2 0.324 77.4 106.1 -97.3 8.1 53.6 9.1 65.6 49 49 A D <> + 0 0 53 -3,-1.6 4,-0.8 -4,-0.2 -1,-0.1 -0.693 36.7 165.4 -88.4 89.9 55.0 9.0 69.1 50 50 A T T 4 + 0 0 85 -2,-1.4 -1,-0.2 1,-0.2 -4,-0.0 0.134 69.1 57.8 -92.2 21.8 52.4 11.1 70.8 51 51 A E T > S+ 0 0 140 3,-0.1 4,-1.9 2,-0.1 3,-0.4 0.725 97.1 54.4-113.6 -46.7 53.6 10.0 74.3 52 52 A T H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 104.1 54.4 -60.2 -42.8 57.2 11.0 74.3 53 53 A L H X S+ 0 0 2 -4,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.837 107.8 51.2 -64.2 -29.9 56.7 14.7 73.5 54 54 A R H > S+ 0 0 163 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.927 109.5 49.9 -69.5 -42.8 54.3 15.0 76.4 55 55 A E H X S+ 0 0 82 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.868 111.6 49.6 -60.7 -38.6 56.9 13.5 78.7 56 56 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.938 111.2 48.5 -66.7 -47.1 59.4 16.0 77.3 57 57 A R H X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.920 110.2 50.9 -60.0 -45.8 57.1 18.9 77.8 58 58 A R H X S+ 0 0 124 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.898 110.3 50.0 -60.8 -39.2 56.3 17.9 81.4 59 59 A Y H < S+ 0 0 26 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.914 111.8 48.1 -64.4 -43.2 60.0 17.6 82.2 60 60 A R H >< S+ 0 0 46 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.943 109.9 51.5 -62.1 -49.5 60.6 21.0 80.7 61 61 A E H 3< S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.790 104.2 58.1 -58.7 -30.3 57.8 22.6 82.7 62 62 A A T 3< S+ 0 0 59 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.551 107.6 50.6 -78.5 -5.8 59.1 21.1 85.9 63 63 A N X + 0 0 7 -3,-2.0 3,-1.2 -4,-0.3 -1,-0.2 -0.442 57.4 147.9-131.3 61.5 62.4 23.0 85.3 64 64 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.469 62.3 79.6 -72.6 -2.3 61.5 26.7 84.6 65 65 A W T 3 + 0 0 51 -3,-0.1 2,-0.3 53,-0.0 -2,-0.0 0.620 64.7 111.1 -80.8 -14.6 64.8 27.7 86.2 66 66 A V < + 0 0 5 -3,-1.2 52,-0.2 -6,-0.2 3,-0.1 -0.472 25.1 156.4 -68.9 123.8 66.9 26.9 83.2 67 67 A E S S+ 0 0 73 50,-2.4 27,-2.9 -2,-0.3 2,-0.4 0.539 70.5 43.4-115.7 -22.9 68.4 29.9 81.5 68 68 A D E -ef 94 118B 5 49,-2.2 51,-2.7 25,-0.2 2,-0.6 -0.992 64.7-165.2-131.2 126.4 71.3 28.1 79.8 69 69 A F E -ef 95 119B 0 25,-2.9 27,-2.5 -2,-0.4 2,-0.8 -0.940 5.9-164.4-112.6 111.0 71.1 24.7 78.0 70 70 A V E -ef 96 120B 0 49,-3.0 51,-2.9 -2,-0.6 2,-0.8 -0.847 3.7-163.7 -99.5 108.2 74.4 23.0 77.4 71 71 A L E -ef 97 121B 1 25,-2.6 27,-2.6 -2,-0.8 2,-0.9 -0.813 1.3-164.5 -94.7 111.2 74.1 20.2 74.9 72 72 A I E +ef 98 122B 0 49,-2.3 51,-2.6 -2,-0.8 2,-0.3 -0.831 45.9 103.6 -95.6 102.9 77.1 17.9 74.9 73 73 A G - 0 0 0 25,-1.1 2,-0.3 -2,-0.9 51,-0.1 -0.970 48.8-145.7-171.5 162.4 76.8 16.0 71.7 74 74 A I > - 0 0 7 49,-0.4 3,-2.0 -2,-0.3 2,-0.2 -0.961 58.6 -11.9-142.3 155.7 78.2 15.7 68.2 75 75 A G G >> S+ 0 0 3 -2,-0.3 4,-2.8 1,-0.3 3,-2.0 -0.383 134.9 11.7 61.2-120.5 77.2 14.8 64.7 76 76 A G G 34 S+ 0 0 12 1,-0.3 4,-0.3 -2,-0.2 -1,-0.3 0.731 131.5 55.7 -62.2 -21.0 73.7 13.2 64.8 77 77 A S G <4 S+ 0 0 10 -3,-2.0 -1,-0.3 46,-0.1 -2,-0.2 0.401 121.2 25.5 -92.3 3.0 73.3 14.3 68.5 78 78 A A T <> S+ 0 0 1 -3,-2.0 4,-2.9 3,-0.1 5,-0.2 0.645 107.9 62.9-131.3 -41.6 74.0 18.0 67.7 79 79 A L H X S+ 0 0 20 -4,-2.8 4,-2.6 2,-0.2 181,-0.2 0.906 105.0 47.7 -60.2 -46.2 73.2 19.0 64.1 80 80 A G H > S+ 0 0 2 -5,-0.3 4,-2.3 -4,-0.3 5,-0.2 0.956 114.5 47.2 -60.3 -51.2 69.4 18.3 64.3 81 81 A P H > S+ 0 0 1 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.940 112.8 49.2 -56.4 -47.5 69.2 20.2 67.6 82 82 A K H X S+ 0 0 30 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.930 111.1 49.5 -57.1 -48.4 71.2 23.2 66.2 83 83 A A H X S+ 0 0 2 -4,-2.6 4,-0.9 173,-0.3 173,-0.3 0.907 118.3 39.0 -58.1 -43.9 69.1 23.4 63.1 84 84 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.920 115.9 47.9 -74.8 -47.4 65.8 23.3 65.0 85 85 A E H X S+ 0 0 25 -4,-3.2 4,-1.0 -5,-0.2 -2,-0.2 0.875 109.4 54.0 -63.5 -38.2 66.7 25.5 68.0 86 86 A A H < S+ 0 0 24 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.857 115.0 41.5 -64.9 -33.7 68.2 28.2 65.8 87 87 A A H < S+ 0 0 3 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.780 126.5 28.0 -85.9 -27.3 65.0 28.4 63.9 88 88 A F H < + 0 0 4 -4,-2.1 2,-0.7 165,-0.1 -2,-0.2 0.133 69.7 139.7-126.6 25.2 62.5 28.2 66.7 89 89 A N < + 0 0 23 -4,-1.0 114,-0.2 1,-0.2 113,-0.1 -0.585 11.8 152.9 -72.9 113.4 63.9 29.6 69.9 90 90 A E + 0 0 135 112,-3.6 113,-0.2 -2,-0.7 -1,-0.2 0.652 61.5 62.0-110.1 -27.0 61.0 31.5 71.4 91 91 A S S S- 0 0 52 111,-1.9 112,-0.1 2,-0.1 3,-0.1 0.731 95.1-127.2 -76.1 -27.0 61.9 31.3 75.1 92 92 A G + 0 0 53 1,-0.3 110,-0.1 110,-0.3 -1,-0.1 0.462 54.1 152.4 91.5 -2.7 65.3 33.1 75.1 93 93 A V - 0 0 11 108,-0.4 2,-0.5 1,-0.1 -1,-0.3 -0.423 47.7-122.1 -60.4 138.8 67.0 30.3 76.8 94 94 A R E -e 68 0B 115 -27,-2.9 -25,-2.9 -3,-0.1 2,-0.4 -0.772 24.3-153.1 -91.4 125.4 70.6 30.4 75.7 95 95 A F E -e 69 0B 23 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.798 10.1-171.4-102.5 139.4 72.0 27.2 74.1 96 96 A H E -e 70 0B 39 -27,-2.5 -25,-2.6 -2,-0.4 2,-0.6 -0.998 10.7-151.7-129.8 126.9 75.6 26.1 74.1 97 97 A Y E -e 71 0B 33 -2,-0.4 2,-1.4 -27,-0.2 -25,-0.2 -0.881 10.0-164.7-110.2 115.1 76.8 23.2 72.0 98 98 A L E +e 72 0B 4 -27,-2.6 -25,-1.1 -2,-0.6 37,-0.1 -0.685 39.4 138.9 -94.1 80.0 79.8 21.1 73.0 99 99 A D + 0 0 3 -2,-1.4 607,-0.3 -27,-0.2 2,-0.3 -0.256 65.8 42.3-113.2 37.6 80.3 19.5 69.6 100 100 A H S S- 0 0 12 31,-0.1 -27,-0.1 605,-0.1 35,-0.0 -0.952 70.9-133.2-167.2 174.4 84.0 19.8 69.8 101 101 A V + 0 0 1 -2,-0.3 658,-0.3 654,-0.1 657,-0.2 0.115 50.8 137.0-131.0 21.8 86.8 19.3 72.4 102 102 A E > - 0 0 5 1,-0.1 4,-1.0 657,-0.1 654,-0.1 -0.596 50.1-139.6 -72.3 124.9 88.9 22.5 71.9 103 103 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 87.6 58.2 -54.0 -48.0 89.8 23.6 75.5 104 104 A E H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 104.6 48.0 -57.3 -50.1 89.4 27.4 75.4 105 105 A P H > S+ 0 0 27 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.889 115.7 46.6 -59.2 -37.5 85.7 27.7 74.3 106 106 A I H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.910 110.6 51.7 -70.1 -40.7 84.8 25.1 77.0 107 107 A L H X S+ 0 0 20 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.856 106.7 55.5 -63.3 -35.6 86.8 27.0 79.6 108 108 A R H X S+ 0 0 122 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.921 108.8 46.9 -63.1 -44.8 85.0 30.2 78.6 109 109 A L H >X S+ 0 0 26 -4,-1.7 4,-2.5 1,-0.2 3,-0.5 0.919 109.4 53.3 -63.6 -44.9 81.7 28.5 79.3 110 110 A L H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 114.9 43.2 -60.2 -30.2 82.9 27.1 82.6 111 111 A R H 3< S+ 0 0 156 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.623 121.4 36.1 -91.7 -15.0 83.9 30.6 83.6 112 112 A T H << S+ 0 0 99 -4,-1.2 2,-0.2 -3,-0.5 -2,-0.2 0.669 95.0 87.5-112.0 -21.6 80.8 32.5 82.3 113 113 A L S < S- 0 0 16 -4,-2.5 3,-0.1 -5,-0.2 5,-0.1 -0.550 73.0-129.1 -82.1 145.1 77.8 30.2 83.0 114 114 A D > - 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0 0 16 -5,-2.7 -1,-0.2 -6,-0.2 -19,-0.1 -0.645 45.6-102.6 -93.9 150.1 69.5 11.0 86.4 176 176 A K E -h 156 0B 74 -21,-0.6 -19,-2.5 -24,-0.4 2,-0.4 -0.477 48.8-172.1 -66.7 140.7 66.6 11.9 84.2 177 177 A A E -h 157 0B 21 -21,-0.2 2,-0.3 -2,-0.1 -19,-0.2 -0.999 18.7-161.1-144.1 141.4 67.0 10.1 80.9 178 178 A F E -h 158 0B 2 -21,-3.2 -19,-2.2 -2,-0.4 2,-0.4 -0.845 25.0-119.2-115.7 155.3 65.3 10.2 77.5 179 179 A A E -h 159 0B 38 -2,-0.3 -19,-0.2 -21,-0.2 15,-0.2 -0.787 9.4-155.8-107.2 139.3 65.6 7.5 74.9 180 180 A I - 0 0 1 -21,-1.5 4,-0.1 -2,-0.4 6,-0.1 -0.946 45.3-112.0-101.1 115.8 66.9 7.4 71.4 181 181 A P > - 0 0 45 0, 0.0 3,-2.3 0, 0.0 -139,-0.1 -0.177 16.3-122.7 -51.4 140.3 65.0 4.4 69.9 182 182 A K T 3 S+ 0 0 131 1,-0.3 -22,-0.1 -140,-0.0 -140,-0.0 0.889 113.1 50.8 -50.3 -44.9 67.1 1.4 69.0 183 183 A E T 3 S+ 0 0 42 -141,-0.1 -141,-2.4 -142,-0.1 2,-0.6 0.315 93.1 91.6 -80.1 9.6 65.9 1.5 65.4 184 184 A V < - 0 0 0 -3,-2.3 5,-0.1 -142,-0.2 -143,-0.1 -0.903 67.4-149.0-110.7 109.6 66.8 5.3 65.1 185 185 A G > - 0 0 11 -2,-0.6 3,-1.4 -145,-0.4 213,-0.1 -0.320 27.2-106.1 -72.5 157.2 70.2 6.1 63.8 186 186 A G G > S+ 0 0 24 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.903 118.1 46.0 -48.6 -54.7 72.1 9.2 64.9 187 187 A R G 3 S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.608 115.7 49.1 -69.9 -7.8 71.7 11.3 61.7 188 188 A F G < S+ 0 0 3 -3,-1.4 3,-0.3 1,-0.1 -1,-0.3 0.145 88.9 90.9-111.4 16.0 68.0 10.3 61.6 189 189 A S X + 0 0 0 -3,-1.9 3,-2.0 1,-0.2 6,-0.6 0.339 44.0 109.4 -96.9 6.9 67.3 11.2 65.2 190 190 A A T 3 S+ 0 0 2 1,-0.3 5,-0.3 -3,-0.2 -1,-0.2 0.813 81.8 47.0 -53.5 -36.0 66.3 14.8 65.0 191 191 A L T 3 S+ 0 0 4 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.270 98.2 83.2 -93.6 13.3 62.6 14.2 65.9 192 192 A S S X> S- 0 0 2 -3,-2.0 4,-2.5 -11,-0.0 3,-1.6 -0.328 114.5 -74.2 -96.2-173.9 63.4 11.9 68.8 193 193 A P H 3> S+ 0 0 5 0, 0.0 4,-2.2 0, 0.0 -13,-0.1 0.761 125.1 82.2 -56.8 -19.3 64.1 13.5 72.2 194 194 A V H 34 S+ 0 0 0 -5,-0.4 -4,-0.2 1,-0.2 -3,-0.1 0.911 113.5 14.7 -48.6 -46.5 67.5 14.4 70.7 195 195 A G H <> S+ 0 0 0 -3,-1.6 4,-2.1 -6,-0.6 -1,-0.2 0.768 124.1 61.6 -99.8 -32.1 65.8 17.4 69.1 196 196 A L H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.901 100.6 53.5 -63.6 -42.4 62.5 17.5 71.1 197 197 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 3,-0.4 0.970 113.3 39.9 -59.9 -57.8 64.1 18.1 74.5 198 198 A P H > S+ 0 0 1 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.916 114.7 54.9 -60.3 -37.2 66.2 21.1 73.5 199 199 A L H <>S+ 0 0 3 -4,-2.1 5,-2.4 1,-0.2 4,-0.3 0.845 102.6 57.0 -62.6 -32.9 63.3 22.4 71.5 200 200 A A H ><5S+ 0 0 6 -4,-2.0 3,-2.0 -3,-0.4 -1,-0.2 0.963 108.1 45.9 -61.6 -50.3 61.0 22.2 74.5 201 201 A F H 3<5S+ 0 0 0 -4,-1.7 -108,-0.4 1,-0.3 -1,-0.2 0.697 107.7 59.2 -65.5 -18.1 63.3 24.5 76.5 202 202 A A T 3<5S- 0 0 0 -4,-1.1 -112,-3.6 -5,-0.2 -111,-1.9 0.495 114.4-122.1 -86.5 -4.8 63.4 26.7 73.4 203 203 A G T < 5 + 0 0 42 -3,-2.0 -3,-0.2 -4,-0.3 2,-0.1 0.753 58.7 152.1 70.7 25.9 59.6 27.0 73.8 204 204 A A < - 0 0 8 -5,-2.4 2,-1.3 -8,-0.1 -1,-0.2 -0.459 56.5-100.6 -86.9 161.3 58.9 25.7 70.3 205 205 A D > + 0 0 78 1,-0.2 4,-1.7 -2,-0.1 3,-0.2 -0.644 38.3 178.2 -85.0 91.3 55.7 23.8 69.2 206 206 A L H > S+ 0 0 0 -2,-1.3 4,-2.3 1,-0.2 5,-0.2 0.875 78.4 58.7 -59.3 -41.1 56.8 20.1 69.2 207 207 A D H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 106.3 48.0 -56.0 -45.3 53.4 18.9 68.2 208 208 A A H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 108.1 55.8 -65.4 -37.2 53.5 21.0 65.0 209 209 A L H X S+ 0 0 2 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.953 112.1 41.3 -60.4 -49.4 57.0 19.7 64.2 210 210 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.836 111.1 57.2 -69.0 -32.6 55.8 16.1 64.4 211 211 A M H X S+ 0 0 85 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.921 107.4 48.4 -63.1 -44.2 52.6 16.9 62.5 212 212 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.896 110.1 51.2 -63.2 -39.3 54.6 18.3 59.6 213 213 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.884 106.3 55.6 -65.1 -36.7 56.8 15.2 59.6 214 214 A R H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.892 103.7 54.6 -61.5 -39.6 53.6 13.0 59.5 215 215 A K H X S+ 0 0 61 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.917 106.3 51.5 -60.4 -42.6 52.6 14.9 56.4 216 216 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.907 105.4 55.5 -60.4 -42.2 55.9 14.0 54.8 217 217 A N H X S+ 0 0 26 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.902 106.6 52.2 -57.1 -39.9 55.2 10.3 55.7 218 218 A E H >X S+ 0 0 102 -4,-1.9 3,-0.9 1,-0.2 4,-0.7 0.942 108.3 48.8 -61.5 -47.9 52.0 10.7 53.8 219 219 A T H >< S+ 0 0 12 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.864 105.0 60.0 -61.3 -34.6 53.7 12.0 50.7 220 220 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.799 112.7 38.2 -64.0 -27.4 56.2 9.2 51.0 221 221 A L H << S+ 0 0 93 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.421 97.7 108.3-102.1 -0.6 53.3 6.7 50.6 222 222 A A S << S- 0 0 18 -3,-0.8 5,-0.1 -4,-0.7 -3,-0.1 -0.195 84.5 -74.3 -75.7 166.2 51.3 8.7 48.0 223 223 A P >> - 0 0 75 0, 0.0 3,-2.5 0, 0.0 4,-1.0 -0.269 56.6-101.5 -55.8 148.9 50.8 8.0 44.3 224 224 A L G >4 S+ 0 0 27 1,-0.3 3,-1.1 2,-0.2 7,-0.1 0.836 121.8 56.9 -40.4 -50.8 54.0 8.8 42.4 225 225 A E G 34 S+ 0 0 123 1,-0.3 -1,-0.3 6,-0.0 -3,-0.0 0.726 116.4 36.0 -57.5 -24.6 52.7 12.1 41.1 226 226 A E G <4 S+ 0 0 119 -3,-2.5 2,-1.6 1,-0.1 -1,-0.3 0.425 90.4 101.9-108.8 -1.9 52.1 13.3 44.6 227 227 A S XX + 0 0 0 -3,-1.1 4,-1.7 -4,-1.0 3,-0.8 -0.601 44.5 177.4 -87.2 82.4 55.1 11.6 46.2 228 228 A L H 3> S+ 0 0 17 -2,-1.6 4,-2.5 1,-0.2 5,-0.3 0.885 77.1 56.7 -51.9 -44.8 57.5 14.6 46.5 229 229 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.852 108.2 47.0 -59.6 -34.4 60.2 12.5 48.3 230 230 A L H <> S+ 0 0 0 -3,-0.8 4,-1.8 -11,-0.2 -2,-0.2 0.821 111.1 54.0 -74.9 -30.2 60.3 10.0 45.3 231 231 A K H X S+ 0 0 27 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.933 112.2 40.3 -68.6 -47.8 60.5 13.0 42.9 232 232 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.822 111.4 58.5 -71.8 -29.1 63.5 14.7 44.5 233 233 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.933 107.0 48.9 -62.4 -43.0 65.1 11.3 45.0 234 234 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.933 107.6 54.5 -60.7 -46.7 64.8 10.9 41.2 235 235 A L H X S+ 0 0 2 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.945 112.4 41.9 -53.5 -52.7 66.3 14.3 40.7 236 236 A L H >< S+ 0 0 4 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.901 114.4 53.8 -62.6 -38.0 69.4 13.5 42.7 237 237 A H H >< S+ 0 0 28 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.891 102.8 55.4 -62.8 -41.1 69.5 10.0 41.1 238 238 A L H 3< S+ 0 0 52 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.615 116.2 39.0 -68.3 -11.9 69.5 11.5 37.6 239 239 A H T X< S+ 0 0 10 -3,-1.0 3,-1.8 -4,-0.6 -1,-0.3 0.039 76.5 124.1-123.7 24.3 72.6 13.5 38.6 240 240 A R T < S+ 0 0 92 -3,-1.6 40,-0.3 1,-0.3 -2,-0.1 0.674 73.4 55.7 -59.6 -18.2 74.2 10.8 40.6 241 241 A H T 3 S+ 0 0 143 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.608 83.7 95.4 -90.4 -17.6 77.3 11.1 38.5 242 242 A L S < S- 0 0 29 -3,-1.8 40,-0.1 1,-0.1 64,-0.1 -0.649 75.6-137.8 -73.9 132.3 77.8 14.8 39.1 243 243 A P S S+ 0 0 22 0, 0.0 39,-3.2 0, 0.0 2,-0.4 0.766 78.2 56.3 -62.4 -27.4 80.3 15.3 42.0 244 244 A V E -bc 282 306A 1 61,-1.5 63,-1.4 37,-0.2 2,-0.5 -0.887 49.3-178.0-121.6 141.4 78.4 18.0 43.7 245 245 A H E -bc 283 307A 5 37,-2.6 39,-2.5 -2,-0.4 2,-0.4 -0.959 20.4-154.1-130.0 110.1 74.9 18.6 45.1 246 246 A V E -bc 284 308A 0 61,-1.9 63,-2.9 -2,-0.5 2,-0.6 -0.719 6.7-165.3 -89.9 134.1 74.3 22.0 46.5 247 247 A F E -bc 285 309A 2 37,-2.5 39,-1.8 -2,-0.4 2,-0.5 -0.935 15.5-178.8-119.3 102.9 71.7 22.5 49.3 248 248 A M E -bc 286 310A 0 61,-2.9 63,-3.0 -2,-0.6 2,-0.5 -0.916 9.4-164.3-112.9 120.5 70.9 26.3 49.5 249 249 A V E -bc 287 311A 1 37,-2.3 39,-2.7 -2,-0.5 2,-1.6 -0.885 14.1-149.0-108.8 124.4 68.5 27.7 52.1 250 250 A Y + 0 0 0 61,-2.7 2,-0.3 -2,-0.5 37,-0.1 -0.544 69.3 80.5 -88.7 72.0 67.1 31.2 51.8 251 251 A S - 0 0 2 -2,-1.6 37,-0.2 37,-0.3 -2,-0.1 -0.932 59.1-153.6-169.2 145.9 66.6 31.9 55.5 252 252 A E S > S+ 0 0 37 -2,-0.3 3,-2.1 2,-0.1 4,-0.1 0.765 99.5 61.1 -94.4 -33.7 68.8 32.9 58.4 253 253 A R T 3 S+ 0 0 19 1,-0.3 3,-0.3 2,-0.1 -165,-0.1 0.856 109.7 44.5 -59.2 -33.0 66.5 31.2 61.0 254 254 A L T > S+ 0 0 3 1,-0.2 3,-1.8 -167,-0.1 -1,-0.3 0.021 76.0 125.4 -98.3 25.6 67.3 28.0 59.2 255 255 A S T < S+ 0 0 26 -3,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.693 74.8 48.4 -58.9 -19.6 71.1 28.8 58.9 256 256 A H T 3> S+ 0 0 70 -3,-0.3 4,-1.2 -173,-0.3 -173,-0.3 0.457 88.2 84.6-101.5 -0.6 71.9 25.4 60.5 257 257 A L H <> S+ 0 0 0 -3,-1.8 4,-2.3 -174,-0.2 3,-0.2 0.910 82.7 59.2 -68.0 -42.8 69.7 23.2 58.4 258 258 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.906 103.9 51.5 -54.0 -41.9 72.2 22.9 55.5 259 259 A S H > S+ 0 0 54 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.890 108.5 52.0 -61.5 -39.5 74.8 21.3 57.9 260 260 A W H X S+ 0 0 5 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 0.914 110.9 47.4 -62.6 -43.2 72.2 18.8 59.1 261 261 A F H X S+ 0 0 0 -4,-2.3 4,-3.6 1,-0.2 5,-0.3 0.881 105.6 59.1 -66.5 -38.5 71.4 17.8 55.5 262 262 A V H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.2 5,-0.4 0.918 109.7 42.7 -58.0 -44.4 75.1 17.5 54.6 263 263 A Q H X>S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 5,-0.5 0.931 115.0 50.8 -66.8 -44.8 75.5 14.8 57.3 264 264 A L H X5S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 5,-0.2 0.949 119.8 35.2 -55.7 -51.2 72.3 13.2 56.3 265 265 A H H X5S+ 0 0 1 -4,-3.6 4,-2.5 3,-0.2 5,-0.3 0.970 122.5 41.7 -68.4 -57.6 73.3 13.0 52.7 266 266 A D H X5S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -3,-0.2 0.931 118.1 42.7 -57.1 -56.4 77.0 12.4 52.9 267 267 A E H <5S+ 0 0 10 -4,-1.8 -1,-0.2 443,-0.5 -3,-0.2 0.818 118.9 45.6 -65.4 -31.4 77.1 9.8 55.7 268 268 A S H < - 0 0 20 4,-2.9 3,-2.2 -2,-0.6 121,-0.2 -0.103 30.3 -88.1 -76.0 179.8 77.5 -0.2 46.9 274 274 A R T 3 S+ 0 0 127 119,-1.8 -1,-0.1 1,-0.3 120,-0.1 0.588 128.1 56.6 -66.2 -8.8 76.6 -3.9 46.5 275 275 A Q T 3 S- 0 0 115 118,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.296 120.6-107.6-103.1 8.0 78.8 -4.1 43.5 276 276 A G S < S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.617 75.1 136.5 78.8 13.3 81.8 -2.9 45.4 277 277 A Q - 0 0 124 1,-0.0 -4,-2.9 442,-0.0 2,-0.5 -0.721 58.7-117.3 -97.3 143.6 81.9 0.5 43.8 278 278 A R E +I 272 0C 89 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.646 45.3 171.4 -76.7 123.7 82.4 3.8 45.6 279 279 A V E +I 271 0C 14 -8,-3.0 -8,-0.6 -2,-0.5 2,-0.1 -0.810 15.7 92.8-130.4 172.3 79.3 6.0 45.3 280 280 A G - 0 0 8 -40,-0.3 2,-0.3 -2,-0.3 -10,-0.1 -0.141 51.9-114.0 120.8 144.6 77.8 9.2 46.6 281 281 A T - 0 0 7 -16,-0.1 2,-0.8 -2,-0.1 -37,-0.2 -0.779 33.0-107.9-108.6 155.9 77.7 12.9 45.7 282 282 A T E -b 244 0A 0 -39,-3.2 -37,-2.6 -2,-0.3 2,-0.4 -0.745 28.3-145.7 -88.0 110.9 79.3 15.7 47.7 283 283 A A E -b 245 0A 0 -2,-0.8 -37,-0.2 -21,-0.2 -17,-0.0 -0.615 14.0-163.8 -76.4 129.5 76.6 17.8 49.5 284 284 A V E -b 246 0A 0 -39,-2.5 -37,-2.5 -2,-0.4 2,-0.1 -0.970 12.0-136.4-119.4 119.6 77.7 21.5 49.7 285 285 A P E +b 247 0A 24 0, 0.0 2,-0.3 0, 0.0 -37,-0.2 -0.462 28.5 168.8 -76.5 144.9 75.9 23.8 52.2 286 286 A A E -b 248 0A 1 -39,-1.8 -37,-2.3 -2,-0.1 2,-0.4 -0.989 20.0-151.4-153.0 153.2 74.7 27.3 51.1 287 287 A L E > -b 249 0A 20 -2,-0.3 4,-2.6 -39,-0.3 -37,-0.2 -0.975 30.0 -98.6-128.9 142.7 72.6 30.1 52.5 288 288 A G T 4 S+ 0 0 4 -39,-2.7 -37,-0.3 -2,-0.4 59,-0.1 -0.895 91.9 1.3-112.0 142.9 70.6 32.7 50.6 289 289 A P T >4 S+ 0 0 1 0, 0.0 3,-2.8 0, 0.0 4,-0.4 -1.000 123.9 61.3 -89.0 -4.8 71.2 35.5 50.0 290 290 A K G >4 S+ 0 0 27 225,-0.3 3,-1.6 1,-0.3 -2,-0.2 0.818 100.3 57.8 -50.9 -35.1 74.6 35.6 51.6 291 291 A D G >X>S+ 0 0 21 -4,-2.6 5,-2.7 1,-0.3 4,-1.7 0.503 86.2 75.0 -77.8 1.5 76.0 33.0 49.3 292 292 A Q G <45S+ 0 0 17 -3,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.651 100.5 49.8 -78.1 -14.4 75.2 35.1 46.3 293 293 A H G <45S+ 0 0 25 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.148 127.1 17.3-112.2 32.5 78.2 36.9 47.6 294 294 A A T <45S+ 0 0 2 -3,-1.1 389,-0.5 197,-0.1 4,-0.2 0.282 131.8 18.4-164.7 -50.7 80.5 33.8 48.0 295 295 A Q T >X5S+ 0 0 10 -4,-1.7 4,-1.8 387,-0.1 3,-0.6 0.704 103.2 75.8-110.4 -25.9 79.5 30.6 46.1 296 296 A V H 3> S+ 0 0 0 -6,-0.2 4,-2.3 1,-0.2 5,-0.4 0.935 106.0 44.8 -56.6 -45.4 80.0 33.2 41.3 298 298 A L H <> S+ 0 0 0 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.895 112.5 50.9 -65.7 -40.2 81.3 29.7 41.0 299 299 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 113.4 48.0 -65.7 -32.1 77.9 28.3 40.2 300 300 A R H < S+ 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.892 132.2 9.1 -76.4 -43.9 77.4 30.9 37.5 301 301 A E H < S+ 0 0 42 -4,-2.3 394,-0.4 385,-0.3 -3,-0.2 0.434 109.4 88.2-120.8 -1.0 80.7 30.7 35.6 302 302 A G S < S- 0 0 0 -4,-2.1 394,-0.2 -5,-0.4 392,-0.1 -0.209 92.9 -48.3 -86.7-175.4 82.4 27.6 37.0 303 303 A P - 0 0 29 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 -0.099 48.1-122.6 -53.5 147.7 82.0 24.0 35.7 304 304 A L S S+ 0 0 84 1,-0.2 -5,-0.1 390,-0.1 -4,-0.0 -0.534 74.4 119.8 -91.1 67.7 78.5 22.6 35.1 305 305 A D + 0 0 23 -2,-1.5 -61,-1.5 -63,-0.1 2,-0.3 -0.061 50.5 85.9-123.4 33.2 79.0 19.8 37.6 306 306 A K E -c 244 0A 1 -63,-0.1 54,-0.9 -7,-0.1 2,-0.5 -0.912 56.5-150.2-135.8 158.7 76.3 20.4 40.1 307 307 A L E -cd 245 360A 4 -63,-1.4 -61,-1.9 -2,-0.3 2,-0.5 -0.998 30.2-158.8-122.6 119.1 72.7 19.7 40.9 308 308 A L E -cd 246 361A 0 52,-2.8 54,-2.2 -2,-0.5 2,-0.5 -0.900 12.3-167.4-111.7 132.0 71.4 22.6 43.0 309 309 A A E -cd 247 362A 1 -63,-2.9 -61,-2.9 -2,-0.5 2,-0.5 -0.957 7.4-161.6-114.6 126.3 68.4 22.6 45.3 310 310 A L E -cd 248 363A 0 52,-2.1 54,-2.8 -2,-0.5 2,-0.7 -0.943 5.4-154.7-112.2 122.8 67.1 25.9 46.6 311 311 A V E -cd 249 364A 1 -63,-3.0 -61,-2.7 -2,-0.5 54,-0.2 -0.866 21.3-178.5 -97.0 116.8 64.8 25.9 49.7 312 312 A I E - d 0 365A 1 52,-2.3 54,-2.2 -2,-0.7 2,-0.1 -0.964 21.0-141.5-126.0 125.9 62.7 29.1 49.6 313 313 A P E - d 0 366A 5 0, 0.0 55,-0.1 0, 0.0 52,-0.0 -0.467 5.5-156.9 -77.2 152.4 60.0 30.3 52.1 314 314 A E S S+ 0 0 76 52,-2.0 54,-0.2 1,-0.2 51,-0.0 0.548 71.5 24.4-107.4 -8.6 56.9 31.9 50.6 315 315 A A - 0 0 39 51,-0.3 54,-0.5 52,-0.2 -1,-0.2 -0.994 69.5-127.2-155.1 149.1 55.8 34.1 53.6 316 316 A P - 0 0 41 0, 0.0 3,-0.2 0, 0.0 202,-0.0 -0.543 14.3-138.6 -90.8 161.9 57.3 35.7 56.7 317 317 A L S S+ 0 0 93 1,-0.4 2,-0.3 -2,-0.2 53,-0.0 0.807 98.0 2.9 -86.0 -34.9 55.9 35.1 60.1 318 318 A E S S- 0 0 86 -3,-0.0 -1,-0.4 2,-0.0 205,-0.2 -0.884 83.7-155.8-153.0 114.8 56.4 38.8 60.9 319 319 A D - 0 0 53 -2,-0.3 2,-0.4 -3,-0.2 199,-0.0 -0.280 5.2-140.0 -89.9 174.5 57.7 41.2 58.2 320 320 A V - 0 0 15 -2,-0.1 19,-2.8 3,-0.0 2,-0.3 -0.981 11.6-136.5-140.0 124.2 59.5 44.5 58.3 321 321 A E B -J 338 0D 133 -2,-0.4 17,-0.3 17,-0.2 16,-0.1 -0.628 25.0-122.9 -80.5 135.3 59.0 47.5 56.0 322 322 A I - 0 0 2 15,-3.3 14,-2.3 -2,-0.3 15,-0.2 -0.707 32.1-139.8 -79.7 111.4 62.2 49.1 54.8 323 323 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 233,-0.1 -0.366 17.9-104.9 -72.9 149.5 61.9 52.8 56.0 324 324 A E - 0 0 157 -2,-0.1 2,-0.5 11,-0.1 5,-0.1 -0.449 31.8-144.5 -73.2 148.1 63.0 55.7 53.8 325 325 A V > - 0 0 7 3,-0.2 3,-1.7 -2,-0.1 2,-0.4 -0.971 11.1-128.7-119.8 123.6 66.3 57.3 54.8 326 326 A E T 3 S+ 0 0 112 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.550 98.0 17.6 -69.3 123.2 66.9 61.1 54.5 327 327 A G T 3 S+ 0 0 14 -2,-0.4 -1,-0.3 261,-0.0 3,-0.1 0.484 105.0 89.1 94.7 3.1 70.1 61.5 52.6 328 328 A L X + 0 0 2 -3,-1.7 3,-1.8 1,-0.1 -3,-0.2 -0.415 39.3 150.3-129.1 56.7 70.3 58.0 51.2 329 329 A E G > + 0 0 121 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.699 62.0 75.0 -62.1 -22.2 68.4 58.4 47.9 330 330 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.634 97.8 49.9 -67.0 -10.7 70.5 55.6 46.2 331 331 A A G X> S+ 0 0 1 -3,-1.8 3,-1.4 -6,-0.2 4,-0.9 0.150 75.9 108.5-111.2 15.8 68.4 53.2 48.3 332 332 A S T <4 + 0 0 68 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.753 66.7 68.0 -66.4 -25.0 65.0 54.6 47.4 333 333 A Y T 34 S+ 0 0 52 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.693 104.3 46.6 -68.2 -15.1 64.1 51.6 45.2 334 334 A L T X4 S+ 0 0 1 -3,-1.4 3,-1.7 2,-0.1 -12,-0.3 0.711 86.4 106.2 -95.7 -26.2 64.0 49.7 48.5 335 335 A F T 3< S+ 0 0 37 -4,-0.9 3,-0.1 1,-0.3 -11,-0.1 -0.287 87.6 18.1 -57.2 135.4 61.9 52.2 50.5 336 336 A G T 3 S+ 0 0 46 -14,-2.3 -1,-0.3 1,-0.4 -2,-0.1 0.023 103.8 103.9 92.3 -30.2 58.4 51.0 51.0 337 337 A K S < S- 0 0 55 -3,-1.7 -15,-3.3 -15,-0.2 -1,-0.4 -0.344 71.1-118.5 -78.1 167.1 59.3 47.4 50.2 338 338 A T B > -J 321 0D 33 -17,-0.3 4,-1.8 -3,-0.1 -17,-0.2 -0.665 15.7-116.8-106.0 163.1 59.6 44.8 53.0 339 339 A L H > S+ 0 0 0 -19,-2.8 4,-2.6 -2,-0.2 5,-0.1 0.919 118.4 47.8 -63.8 -43.1 62.6 42.8 54.1 340 340 A F H > S+ 0 0 14 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 106.8 57.5 -64.9 -37.9 60.9 39.5 53.2 341 341 A Q H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 109.8 45.3 -57.3 -40.9 59.9 41.0 49.9 342 342 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.947 111.7 51.4 -66.7 -49.7 63.6 41.6 49.3 343 343 A L H X S+ 0 0 3 -4,-2.6 4,-2.1 174,-0.3 -2,-0.2 0.933 112.6 46.2 -51.5 -51.6 64.5 38.1 50.5 344 344 A K H X S+ 0 0 45 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.901 111.1 52.1 -60.0 -45.7 61.9 36.5 48.2 345 345 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.913 110.7 47.7 -59.5 -43.9 63.0 38.6 45.2 346 346 A E H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.866 111.5 50.9 -66.6 -35.7 66.7 37.6 45.7 347 347 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.961 114.2 42.2 -65.9 -51.1 65.7 33.9 46.0 348 348 A E H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.917 115.5 51.9 -60.7 -43.7 63.6 33.9 42.8 349 349 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.912 112.6 43.4 -59.7 -47.0 66.3 36.0 41.0 350 350 A T H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.886 109.8 56.7 -67.7 -39.6 69.1 33.7 42.0 351 351 A Y H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.944 113.2 41.7 -55.8 -48.0 67.1 30.6 41.1 352 352 A E H X S+ 0 0 73 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.889 112.9 53.1 -67.6 -40.8 66.6 32.0 37.6 353 353 A A H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.909 107.2 52.2 -62.6 -41.6 70.2 33.2 37.3 354 354 A L H <>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.2 -1,-0.2 0.910 112.7 45.1 -60.9 -41.3 71.5 29.7 38.2 355 355 A A H ><5S+ 0 0 21 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.885 108.6 56.5 -69.9 -37.4 69.3 28.2 35.5 356 356 A E H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 102.4 57.1 -62.6 -31.6 70.4 31.0 33.0 357 357 A A T 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.486 123.5-107.4 -78.5 -3.4 74.0 29.9 33.6 358 358 A G T < 5 + 0 0 44 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.528 69.5 145.0 91.6 6.1 73.0 26.4 32.6 359 359 A Q < - 0 0 8 -5,-1.9 2,-0.8 -60,-0.1 -1,-0.3 -0.510 57.8-113.2 -80.0 145.6 73.1 24.7 36.0 360 360 A R E + d 0 307A 131 -54,-0.9 -52,-2.8 -2,-0.2 2,-0.3 -0.696 56.1 160.5 -77.9 111.1 70.7 21.9 36.8 361 361 A V E + d 0 308A 0 -2,-0.8 -353,-0.3 -54,-0.2 2,-0.3 -0.980 20.3 171.1-139.1 149.6 68.6 23.5 39.5 362 362 A Y E - d 0 309A 2 -54,-2.2 -52,-2.1 -2,-0.3 2,-0.4 -0.917 21.1-131.1-146.1 168.0 65.2 23.1 41.2 363 363 A A E -Ad 5 310A 0 -358,-2.3 -358,-3.0 -2,-0.3 2,-0.5 -0.960 5.1-154.2-133.2 149.0 63.4 24.6 44.2 364 364 A L E -Ad 4 311A 1 -54,-2.8 -52,-2.3 -2,-0.4 2,-0.4 -0.981 22.6-152.7-118.4 116.0 61.5 23.4 47.2 365 365 A F E -Ad 3 312A 0 -362,-3.0 -362,-1.9 -2,-0.5 -54,-0.1 -0.760 6.8-162.7 -96.1 136.4 59.1 26.0 48.5 366 366 A L E - d 0 313A 1 -54,-2.2 -52,-2.0 -2,-0.4 -51,-0.3 -0.922 24.5-132.2-111.9 138.1 58.0 26.2 52.1 367 367 A P S S- 0 0 35 0, 0.0 2,-0.3 0, 0.0 -52,-0.2 0.893 84.2 -36.6 -57.2 -36.0 54.8 28.1 53.0 368 368 A E S S- 0 0 50 -54,-0.2 2,-1.3 -55,-0.1 5,-0.1 -0.943 75.0 -78.7-173.2 168.6 56.9 29.8 55.7 369 369 A V S S+ 0 0 3 -54,-0.5 -52,-0.1 -2,-0.3 3,-0.1 -0.723 75.4 135.1 -86.7 96.5 59.6 28.9 58.2 370 370 A S S > S- 0 0 16 -2,-1.3 4,-3.3 1,-0.1 5,-0.4 -0.926 70.4-105.7-138.2 160.7 57.5 27.1 60.9 371 371 A P H > S+ 0 0 25 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.924 121.9 50.8 -52.6 -44.4 57.9 23.9 62.9 372 372 A Y H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.957 115.3 39.8 -57.8 -55.3 55.1 22.3 60.7 373 373 A A H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 119.7 45.1 -64.9 -39.8 56.8 23.3 57.4 374 374 A V H X S+ 0 0 2 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.875 110.6 53.0 -74.5 -36.7 60.4 22.5 58.6 375 375 A G H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.4 5,-0.2 0.890 111.2 49.2 -62.7 -37.4 59.3 19.2 60.2 376 376 A W H X S+ 0 0 10 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.962 112.3 47.3 -64.5 -51.4 57.8 18.3 56.9 377 377 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 113.1 47.3 -57.6 -49.3 61.0 19.3 55.0 378 378 A M H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.924 114.7 45.1 -60.4 -46.0 63.4 17.4 57.3 379 379 A Q H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.870 111.0 55.9 -65.9 -35.4 61.2 14.2 57.2 380 380 A H H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.908 107.9 47.9 -60.9 -44.7 60.9 14.6 53.5 381 381 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.841 107.5 54.8 -68.1 -34.0 64.7 14.7 53.1 382 382 A M H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.914 111.4 45.3 -66.3 -39.4 65.1 11.6 55.3 383 383 A W H X S+ 0 0 3 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.932 110.9 53.2 -66.1 -46.6 62.7 9.7 53.0 384 384 A Q H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 112.0 46.4 -51.5 -48.6 64.5 11.1 49.9 385 385 A T H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.896 111.6 49.5 -63.6 -43.3 67.8 9.8 51.4 386 386 A A H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.915 110.9 50.4 -64.5 -41.7 66.4 6.4 52.3 387 387 A F H >X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-0.7 0.920 108.6 52.6 -61.1 -43.0 64.9 6.0 48.8 388 388 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.815 99.2 64.3 -62.1 -29.8 68.3 6.9 47.3 389 389 A G H 3<>S+ 0 0 1 -4,-1.5 5,-2.6 1,-0.2 -1,-0.3 0.885 108.4 41.0 -60.9 -36.0 69.8 4.2 49.4 390 390 A E H X<5S+ 0 0 8 -4,-1.1 3,-1.0 -3,-0.7 -2,-0.2 0.909 113.1 52.3 -76.8 -45.0 67.8 1.7 47.4 391 391 A L H 3<5S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.830 117.5 38.9 -60.9 -33.1 68.3 3.4 44.1 392 392 A W T 3<5S- 0 0 2 -4,-2.5 -1,-0.3 -5,-0.2 -118,-0.2 0.361 108.5-125.0 -99.4 4.6 72.1 3.3 44.6 393 393 A E T < 5 + 0 0 65 -3,-1.0 -119,-1.8 1,-0.2 2,-0.3 0.903 64.6 127.6 53.6 50.9 72.1 -0.1 46.3 394 394 A V S - 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