==== 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 AMINOTRANSFERASE 07-JUL-98 1BKG . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.NAKAI,K.OKADA,S.KURAMITSU,K.HIROTSU,RIKEN STRUCTURAL . 1528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1125 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 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 . 104 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 564 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.9 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 8 0 0 4 0 4 0 12 7 9 4 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 RESIDUES PER ALPHA HELIX . 0 4 0 8 4 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 PARALLEL BRIDGES PER LADDER . 8 4 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 4 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 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 0 141 0, 0.0 581,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.6 43.2 34.3 -19.7 2 2 A R + 0 0 86 579,-0.2 2,-0.1 548,-0.0 548,-0.1 -0.534 360.0 108.5-100.6 172.9 44.8 34.5 -16.3 3 3 A G - 0 0 28 -2,-0.2 2,-0.1 546,-0.1 579,-0.1 -0.419 61.1 -79.3 135.4 151.9 48.4 35.2 -15.4 4 4 A L - 0 0 43 -2,-0.1 490,-0.3 1,-0.1 489,-0.1 -0.402 51.8 -98.2 -78.8 156.5 50.8 37.8 -14.0 5 5 A S > - 0 0 0 488,-2.7 4,-1.2 1,-0.1 -1,-0.1 -0.275 25.4-120.7 -71.1 161.0 52.1 40.8 -16.0 6 6 A R H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.828 110.6 55.9 -71.5 -35.1 55.5 40.7 -17.6 7 7 A R H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 109.7 45.1 -65.2 -41.8 56.8 43.7 -15.6 8 8 A V H 4 S+ 0 0 11 484,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.5 54.2 -73.2 -27.6 56.0 42.1 -12.3 9 9 A Q H < S+ 0 0 138 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 110.0 47.0 -74.0 -26.1 57.6 38.9 -13.6 10 10 A A H < S+ 0 0 73 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.801 94.8 97.5 -83.3 -29.7 60.8 40.7 -14.4 11 11 A M < - 0 0 18 -4,-1.6 631,-0.0 -5,-0.1 119,-0.0 -0.301 64.7-142.8 -67.8 138.8 61.0 42.6 -11.1 12 12 A K - 0 0 104 -2,-0.1 3,-0.1 629,-0.0 2,-0.1 -0.879 22.7-127.6 -98.8 123.6 63.2 41.4 -8.2 13 13 A P - 0 0 75 0, 0.0 5,-0.1 0, 0.0 628,-0.1 -0.480 55.3 -62.8 -71.0 148.5 61.5 42.1 -4.9 14 14 A S > - 0 0 3 627,-0.3 4,-1.9 1,-0.1 5,-0.1 0.030 46.0-161.2 -35.3 117.8 63.8 44.0 -2.5 15 15 A A H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.809 90.5 50.9 -72.9 -36.2 66.9 42.0 -1.7 16 16 A T H > S+ 0 0 14 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.894 111.1 49.7 -68.8 -40.3 67.9 43.9 1.4 17 17 A V H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.933 111.1 51.2 -62.1 -44.5 64.3 43.4 2.7 18 18 A A H X S+ 0 0 55 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.906 108.5 48.0 -60.5 -47.9 64.6 39.7 1.9 19 19 A V H X S+ 0 0 38 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.743 109.2 55.9 -68.1 -23.6 68.0 39.1 3.7 20 20 A N H X S+ 0 0 54 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.887 105.2 50.6 -73.1 -41.7 66.6 41.0 6.8 21 21 A A H X S+ 0 0 55 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.919 110.7 50.1 -61.0 -43.2 63.6 38.6 7.0 22 22 A K H X S+ 0 0 93 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.902 111.6 46.4 -62.5 -45.7 66.0 35.6 6.8 23 23 A A H X S+ 0 0 4 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.786 114.6 49.4 -68.4 -28.8 68.3 36.9 9.6 24 24 A L H X S+ 0 0 88 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.877 110.4 48.7 -78.2 -37.6 65.2 37.7 11.7 25 25 A E H X S+ 0 0 91 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.827 105.9 58.4 -71.7 -30.7 63.6 34.3 11.2 26 26 A L H <>S+ 0 0 26 -4,-1.9 5,-2.1 1,-0.2 -1,-0.2 0.860 103.1 52.8 -65.8 -35.0 66.9 32.6 12.1 27 27 A R H ><5S+ 0 0 117 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.782 105.0 54.9 -71.5 -25.9 66.9 34.3 15.5 28 28 A R H 3<5S+ 0 0 178 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.867 98.9 61.5 -72.3 -34.9 63.4 33.1 16.1 29 29 A Q T 3<5S- 0 0 131 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.426 126.8-107.6 -67.7 -1.6 64.8 29.6 15.4 30 30 A G T < 5 + 0 0 64 -3,-1.0 -3,-0.2 1,-0.3 2,-0.2 0.497 69.4 154.1 86.5 4.0 66.9 30.4 18.5 31 31 A V < - 0 0 68 -5,-2.1 2,-1.3 -6,-0.2 -1,-0.3 -0.433 46.1-127.5 -68.6 137.0 70.0 30.8 16.3 32 32 A D + 0 0 110 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.696 49.3 147.5 -91.2 95.2 72.6 33.0 17.7 33 33 A L - 0 0 5 -2,-1.3 2,-0.6 -10,-0.1 313,-0.2 -0.963 44.8-136.8-134.7 148.6 73.4 35.5 15.1 34 34 A V E -a 346 0A 2 311,-2.6 313,-2.6 -2,-0.4 2,-0.6 -0.889 25.0-146.8 -97.9 119.3 74.5 39.2 15.0 35 35 A A E +a 347 0A 15 -2,-0.6 3,-0.1 311,-0.2 313,-0.1 -0.818 28.9 166.6 -92.9 120.7 72.5 41.0 12.3 36 36 A L + 0 0 1 311,-2.5 327,-0.9 -2,-0.6 313,-0.3 -0.094 59.1 93.0-117.4 31.8 74.4 43.8 10.5 37 37 A T + 0 0 2 311,-0.2 -17,-0.1 325,-0.1 -1,-0.1 0.576 52.8 119.5-100.2 -16.6 71.8 43.9 7.7 38 38 A A - 0 0 22 325,-0.2 327,-0.2 -3,-0.1 4,-0.1 -0.212 40.1-172.0 -57.3 139.6 69.6 46.7 9.2 39 39 A G + 0 0 14 2,-0.1 -1,-0.1 324,-0.1 283,-0.1 -0.137 63.4 80.6-121.0 34.3 69.0 49.9 7.3 40 40 A E S S- 0 0 39 325,-0.1 194,-0.1 281,-0.1 -2,-0.1 -0.999 85.3 -95.2-145.0 145.3 67.2 51.6 10.2 41 41 A P - 0 0 2 0, 0.0 198,-0.1 0, 0.0 -2,-0.1 -0.102 19.9-143.9 -53.8 147.8 68.1 53.4 13.4 42 42 A D S S+ 0 0 66 2,-0.1 2,-0.1 324,-0.1 324,-0.1 0.640 77.4 93.5 -87.4 -16.7 68.1 51.4 16.6 43 43 A F S S- 0 0 39 1,-0.1 2,-0.1 249,-0.0 249,-0.0 -0.400 80.7-122.0 -72.8 150.3 66.8 54.5 18.5 44 44 A D - 0 0 57 1,-0.1 194,-0.1 -2,-0.1 -1,-0.1 -0.412 45.5 -78.6 -84.1 169.5 63.0 54.7 18.9 45 45 A T - 0 0 4 -2,-0.1 192,-0.1 1,-0.1 -1,-0.1 -0.505 61.1 -94.2 -74.1 138.8 61.4 57.8 17.5 46 46 A P >> - 0 0 16 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.102 30.2-117.0 -51.2 147.6 61.8 60.9 19.8 47 47 A E H 3> S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 109.6 61.2 -56.6 -41.7 59.1 61.6 22.3 48 48 A H H 3> S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 106.1 49.0 -56.5 -35.1 58.1 65.0 20.9 49 49 A V H <> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.915 110.0 50.3 -70.7 -41.0 57.1 63.3 17.7 50 50 A K H X S+ 0 0 6 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.888 109.8 52.0 -64.3 -37.2 55.1 60.6 19.5 51 51 A E H X S+ 0 0 86 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.908 104.7 54.2 -65.3 -41.2 53.3 63.4 21.4 52 52 A A H X S+ 0 0 8 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.871 110.4 49.6 -61.6 -32.5 52.4 65.2 18.3 53 53 A A H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.921 110.4 47.5 -71.2 -45.8 50.9 61.9 17.1 54 54 A R H X S+ 0 0 51 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.859 110.7 53.1 -63.4 -35.9 48.9 61.4 20.3 55 55 A R H X S+ 0 0 102 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.893 109.5 48.3 -67.2 -37.6 47.7 65.0 20.1 56 56 A A H <>S+ 0 0 1 -4,-1.6 5,-2.3 -5,-0.2 4,-0.3 0.924 110.1 52.0 -68.0 -43.8 46.5 64.3 16.5 57 57 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.925 111.9 46.5 -55.9 -47.9 44.7 61.1 17.6 58 58 A A H 3<5S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 108.3 55.1 -65.9 -33.9 42.9 63.0 20.4 59 59 A Q T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.346 115.0-114.0 -82.6 5.3 41.9 65.8 18.1 60 60 A G T < 5 + 0 0 19 -3,-1.3 2,-1.8 -4,-0.3 3,-0.2 0.795 59.5 156.3 68.7 30.0 40.3 63.4 15.7 61 61 A K < + 0 0 62 -5,-2.3 -1,-0.2 1,-0.2 212,-0.1 -0.504 32.4 115.4 -87.5 68.4 42.7 64.1 12.8 62 62 A T + 0 0 0 -2,-1.8 561,-2.8 207,-0.1 562,-0.3 0.132 43.3 102.7-122.0 14.8 41.9 60.7 11.2 63 63 A K S S- 0 0 53 559,-0.2 206,-0.1 -3,-0.2 364,-0.0 -0.442 83.8 -67.0 -95.8 173.8 40.3 61.7 7.9 64 64 A Y - 0 0 79 -2,-0.1 -1,-0.2 204,-0.1 559,-0.1 -0.321 47.2-148.3 -61.0 140.1 41.8 61.7 4.4 65 65 A A - 0 0 9 202,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.663 34.3 -83.4-103.1 159.6 44.6 64.2 3.7 66 66 A P > - 0 0 63 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.276 41.9-108.4 -62.7 152.9 45.2 65.8 0.3 67 67 A P T 3 S+ 0 0 22 0, 0.0 29,-0.1 0, 0.0 3,-0.1 0.791 121.5 43.7 -50.1 -36.1 47.2 63.8 -2.3 68 68 A A T 3 S- 0 0 12 1,-0.3 28,-1.9 27,-0.1 2,-0.1 0.565 125.8 -95.9 -88.7 -9.7 50.2 66.2 -2.0 69 69 A G < - 0 0 2 -3,-1.5 -1,-0.3 26,-0.2 25,-0.0 -0.345 53.7 -44.7 115.6 160.7 49.9 66.3 1.8 70 70 A I >> - 0 0 9 1,-0.1 4,-1.8 -2,-0.1 3,-1.2 -0.435 56.2-122.8 -62.0 135.8 48.3 68.5 4.6 71 71 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.826 109.5 60.4 -46.8 -42.2 49.1 72.2 3.8 72 72 A E H 3> S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.867 105.9 45.4 -57.7 -43.8 50.8 72.6 7.1 73 73 A L H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.873 110.0 54.7 -70.2 -36.9 53.4 70.0 6.3 74 74 A R H X S+ 0 0 54 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.893 108.3 49.5 -64.0 -35.4 54.0 71.4 2.9 75 75 A E H X S+ 0 0 124 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.903 112.4 46.7 -70.1 -38.5 54.7 74.8 4.3 76 76 A A H X S+ 0 0 15 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.821 111.2 53.6 -70.3 -31.0 57.1 73.4 6.9 77 77 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.917 106.1 50.8 -68.4 -44.7 58.7 71.4 4.0 78 78 A A H X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.2 11,-0.3 0.928 113.0 48.3 -57.6 -41.5 59.2 74.5 1.9 79 79 A E H X S+ 0 0 76 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.840 111.1 49.3 -67.7 -38.8 60.9 76.1 5.0 80 80 A K H X>S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.7 0.918 112.2 45.9 -68.8 -47.6 63.1 73.1 5.7 81 81 A F H X5S+ 0 0 0 -4,-2.7 6,-2.1 3,-0.2 4,-0.9 0.870 120.0 43.2 -64.7 -33.9 64.4 72.8 2.1 82 82 A R H X5S+ 0 0 127 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.982 122.2 36.0 -72.4 -59.1 65.0 76.5 2.1 83 83 A R H <5S+ 0 0 75 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.922 129.4 30.7 -62.3 -50.7 66.5 76.8 5.6 84 84 A E H <5S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.3 -1,-0.2 0.788 132.2 25.1 -83.9 -27.2 68.5 73.6 5.7 85 85 A N H < - 0 0 50 -2,-0.1 3,-2.0 1,-0.1 -1,-0.0 -0.807 35.5-101.3-121.0 163.0 57.4 77.0 -2.4 91 91 A P G > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.896 123.2 60.5 -55.2 -34.8 54.8 74.9 -0.7 92 92 A E G 3 S+ 0 0 106 1,-0.3 -17,-0.0 -17,-0.0 162,-0.0 0.638 101.3 54.0 -66.2 -15.1 53.3 74.2 -4.1 93 93 A E G < S+ 0 0 40 -3,-2.0 155,-1.4 -19,-0.1 2,-0.3 -0.052 98.1 85.7-108.5 30.8 56.6 72.6 -5.2 94 94 A T E < -B 247 0B 0 -3,-1.5 2,-0.3 153,-0.2 153,-0.2 -0.920 54.6-174.8-131.0 149.0 56.6 70.2 -2.2 95 95 A I E -B 246 0B 0 151,-1.8 151,-1.7 -2,-0.3 2,-0.4 -0.996 17.1-143.6-150.1 145.4 55.0 66.8 -1.8 96 96 A V E +B 245 0B 0 -28,-1.9 149,-0.3 -2,-0.3 2,-0.2 -0.925 27.3 176.7-110.5 132.4 54.5 64.3 1.0 97 97 A T E -B 244 0B 0 147,-2.7 147,-2.9 -2,-0.4 2,-2.3 -0.783 46.5 -85.9-131.0 169.7 54.6 60.6 0.1 98 98 A V S > S- 0 0 4 -2,-0.2 4,-0.5 145,-0.2 145,-0.3 -0.504 102.0 -39.4 -75.8 74.8 54.5 57.1 1.8 99 99 A G H > S- 0 0 2 -2,-2.3 4,-0.8 143,-0.3 145,-0.5 -0.077 79.8 -77.0 86.6 162.3 58.2 57.1 2.5 100 100 A G H > S+ 0 0 15 143,-0.3 4,-1.9 1,-0.2 5,-0.2 0.767 128.2 67.8 -66.1 -24.6 61.1 58.4 0.3 101 101 A K H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 99.4 47.0 -62.9 -39.3 60.6 55.2 -1.7 102 102 A Q H X S+ 0 0 2 -4,-0.5 4,-2.3 -3,-0.4 -1,-0.2 0.747 106.0 59.5 -75.6 -21.6 57.2 56.3 -3.0 103 103 A A H X S+ 0 0 1 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.948 112.7 39.1 -66.8 -46.4 58.6 59.7 -3.8 104 104 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.882 116.1 50.8 -68.8 -44.2 61.1 57.9 -6.2 105 105 A F H X S+ 0 0 5 -4,-2.5 4,-2.0 541,-0.3 5,-0.2 0.962 113.9 43.3 -60.8 -52.2 58.5 55.3 -7.4 106 106 A N H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.810 111.0 59.1 -61.8 -30.7 55.9 58.0 -8.3 107 107 A L H >X S+ 0 0 1 -4,-1.3 4,-1.2 -5,-0.2 3,-1.0 0.989 108.3 41.9 -59.8 -63.1 58.8 60.1 -9.8 108 108 A F H 3X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.3 3,-0.3 0.842 111.5 55.5 -55.7 -37.2 59.8 57.5 -12.3 109 109 A Q H 3< S+ 0 0 3 -4,-2.0 282,-0.3 -5,-0.2 -1,-0.3 0.823 111.6 46.8 -67.6 -24.8 56.1 56.7 -13.1 110 110 A A H << S+ 0 0 0 -4,-1.2 278,-2.8 -3,-1.0 -2,-0.2 0.673 123.0 27.8 -90.3 -21.3 55.7 60.3 -13.9 111 111 A I H < S+ 0 0 0 -4,-1.2 2,-0.6 276,-0.3 -2,-0.2 0.476 98.1 90.8-120.5 -3.5 58.7 61.0 -16.1 112 112 A L < - 0 0 0 -4,-1.8 278,-0.2 -5,-0.2 25,-0.1 -0.858 43.6-177.1-105.9 121.6 59.6 57.7 -17.8 113 113 A D > - 0 0 24 -2,-0.6 3,-2.6 1,-0.1 22,-0.1 -0.786 53.5 -76.2-102.2 151.6 58.2 56.6 -21.2 114 114 A P T 3 S+ 0 0 59 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.213 121.3 22.1 -52.5 129.4 59.3 53.1 -22.3 115 115 A G T 3 S+ 0 0 31 21,-2.6 22,-0.2 1,-0.3 2,-0.1 0.171 84.8 137.0 99.1 -16.3 62.9 53.2 -23.5 116 116 A D < - 0 0 27 -3,-2.6 22,-2.6 20,-0.1 -1,-0.3 -0.406 50.9-129.3 -63.6 138.2 63.9 56.4 -21.7 117 117 A E E -cd 138 165B 18 47,-2.3 49,-3.2 20,-0.2 50,-1.3 -0.686 20.0-167.6 -96.4 144.6 67.3 55.9 -20.1 118 118 A V E -cd 139 167B 0 20,-2.5 22,-2.6 -2,-0.3 2,-0.4 -0.997 17.8-138.2-129.4 120.0 68.2 56.6 -16.5 119 119 A I E -cd 140 168B 0 48,-2.4 50,-2.5 -2,-0.4 2,-0.4 -0.723 21.7-170.5 -81.0 129.1 71.9 56.8 -15.5 120 120 A V E -cd 141 169B 0 20,-2.5 22,-1.9 -2,-0.4 2,-0.5 -0.991 16.7-136.5-124.8 126.1 72.5 55.0 -12.2 121 121 A L E -c 142 0B 8 48,-0.8 22,-0.2 -2,-0.4 20,-0.1 -0.746 37.0-105.8 -85.9 119.9 75.9 55.2 -10.3 122 122 A S E S+c 143 0B 10 20,-1.8 22,-1.5 -2,-0.5 2,-0.2 -0.682 102.6 51.4 -98.2 148.9 77.1 51.9 -8.9 123 123 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 54,-0.3 0.432 92.0 172.3 -61.2 132.6 77.3 50.6 -6.2 124 124 A Y - 0 0 21 230,-1.9 2,-0.3 -2,-0.2 232,-0.1 -0.791 40.0 -86.3-118.2 161.5 73.7 51.7 -6.2 125 125 A W > - 0 0 40 -2,-0.3 3,-1.9 50,-0.1 229,-0.0 -0.528 43.4-115.4 -69.9 128.5 70.8 51.1 -3.8 126 126 A V T 3> S+ 0 0 10 -2,-0.3 4,-0.7 1,-0.3 -1,-0.1 0.716 108.7 54.2 -29.7 -39.6 69.0 47.8 -4.7 127 127 A S H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.711 85.8 76.2 -81.4 -22.1 65.7 49.6 -5.6 128 128 A Y H <> S+ 0 0 6 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.944 99.6 43.2 -54.8 -54.8 66.8 52.2 -8.2 129 129 A P H > S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 115.1 50.8 -59.0 -42.1 67.2 49.7 -11.1 130 130 A E H X S+ 0 0 13 -4,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.896 112.0 45.6 -63.4 -43.9 63.9 47.9 -10.2 131 131 A M H X S+ 0 0 1 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.873 111.0 53.7 -67.4 -39.2 61.9 51.1 -10.1 132 132 A V H ><>S+ 0 0 0 -4,-2.2 5,-2.2 -5,-0.3 3,-0.6 0.964 113.7 40.7 -60.9 -50.5 63.4 52.4 -13.3 133 133 A R H ><5S+ 0 0 70 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.826 106.1 62.2 -68.9 -33.8 62.5 49.2 -15.3 134 134 A F H 3<5S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.6 48.7 -62.3 -25.9 59.1 48.7 -13.7 135 135 A A T <<5S- 0 0 2 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.405 127.5-102.4 -91.5 -1.4 58.2 52.1 -15.3 136 136 A G T < 5S+ 0 0 28 -3,-1.8 -21,-2.6 1,-0.3 -3,-0.2 0.406 78.3 129.4 97.2 -0.2 59.6 51.0 -18.6 137 137 A G < - 0 0 6 -5,-2.2 2,-0.4 -23,-0.2 -1,-0.3 -0.269 55.2-117.9 -82.6 176.6 63.0 52.8 -18.6 138 138 A V E -c 117 0B 21 -22,-2.6 -20,-2.5 -23,-0.0 2,-0.6 -0.938 19.9-130.9-118.7 132.0 66.4 51.4 -19.2 139 139 A V E -c 118 0B 22 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.713 18.7-170.2 -88.0 121.7 69.2 51.4 -16.6 140 140 A V E -c 119 0B 32 -22,-2.6 -20,-2.5 -2,-0.6 2,-0.4 -0.950 15.6-148.3-109.9 113.3 72.5 52.8 -17.8 141 141 A E E -c 120 0B 95 -2,-0.6 2,-0.5 -22,-0.2 -20,-0.2 -0.697 13.5-169.9 -89.2 133.3 75.2 52.1 -15.2 142 142 A V E -c 121 0B 10 -22,-1.9 -20,-1.8 -2,-0.4 2,-0.2 -0.986 28.0-123.9-120.0 122.9 78.2 54.4 -14.7 143 143 A E E -c 122 0B 124 -2,-0.5 2,-0.4 -22,-0.2 10,-0.3 -0.448 17.3-160.1 -75.7 139.8 80.8 52.9 -12.4 144 144 A T - 0 0 8 -22,-1.5 5,-0.1 -2,-0.2 -1,-0.0 -0.936 19.4-137.2-115.9 133.2 82.1 54.4 -9.2 145 145 A L > > - 0 0 21 -2,-0.4 5,-2.9 6,-0.4 3,-1.5 -0.795 12.2-144.4-104.1 140.0 85.5 53.1 -8.0 146 146 A P G > 5S+ 0 0 47 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.869 104.8 58.6 -62.0 -36.1 86.7 52.3 -4.4 147 147 A E G 3 5S+ 0 0 155 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.639 107.2 48.6 -68.3 -14.9 90.1 53.6 -5.2 148 148 A E G X 5S- 0 0 79 -3,-1.5 3,-1.2 3,-0.0 -1,-0.3 0.108 125.6-106.1-108.9 18.8 88.4 56.9 -5.9 149 149 A G T < 5 - 0 0 25 -3,-2.2 -2,-0.1 1,-0.3 -5,-0.0 0.695 59.9 -75.1 67.0 21.0 86.4 56.6 -2.7 150 150 A F T 3 > - 0 0 55 -10,-0.3 4,-1.5 1,-0.1 3,-1.2 -0.882 11.5-148.9 -96.9 107.3 83.8 61.1 -11.9 154 154 A P H 3> S+ 0 0 33 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.624 93.5 62.4 -55.2 -11.1 81.6 63.4 -13.9 155 155 A E H 3> S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.878 101.2 48.0 -82.5 -38.8 83.6 62.6 -17.0 156 156 A R H <4 S+ 0 0 72 -3,-1.2 4,-0.2 1,-0.2 -1,-0.2 0.814 112.7 53.3 -66.3 -29.8 82.6 58.9 -17.0 157 157 A V H >< S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.2 4,-0.4 0.914 104.1 52.8 -71.4 -42.8 79.1 60.2 -16.5 158 158 A R H >< S+ 0 0 95 -4,-1.6 3,-1.3 1,-0.3 -2,-0.2 0.882 103.2 58.9 -61.4 -35.3 79.2 62.5 -19.5 159 159 A R T 3< S+ 0 0 169 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.555 102.5 54.0 -72.9 -3.2 80.3 59.6 -21.7 160 160 A A T < S+ 0 0 20 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.434 83.1 108.0-106.5 -4.4 77.1 57.6 -20.8 161 161 A I < + 0 0 29 -3,-1.3 -3,-0.0 -4,-0.4 31,-0.0 -0.524 43.3 166.7 -76.4 139.8 74.8 60.4 -21.8 162 162 A T > - 0 0 46 -2,-0.2 3,-1.4 -45,-0.1 -45,-0.1 -0.848 55.3 -89.2-140.7 178.4 72.8 59.8 -25.0 163 163 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 -46,-0.0 0.748 125.6 58.9 -66.3 -18.2 69.8 61.3 -26.7 164 164 A R T 3 S+ 0 0 66 -48,-0.1 -47,-2.3 -49,-0.0 2,-0.3 0.591 73.4 122.5 -85.9 -11.1 67.7 58.9 -24.7 165 165 A T E < +d 117 0B 2 -3,-1.4 -47,-0.2 -49,-0.2 3,-0.1 -0.365 24.1 163.6 -59.9 116.4 68.8 60.1 -21.3 166 166 A K E + 0 0 15 -49,-3.2 33,-2.3 -2,-0.3 2,-0.3 0.695 62.6 3.2-103.1 -30.5 65.8 61.2 -19.2 167 167 A A E -de 118 199B 0 -50,-1.3 -48,-2.4 31,-0.2 2,-0.4 -0.982 49.4-149.2-154.8 164.2 67.4 61.3 -15.7 168 168 A L E -de 119 200B 0 31,-1.9 33,-2.7 -2,-0.3 2,-0.6 -0.995 21.0-144.4-136.5 128.8 70.5 60.8 -13.6 169 169 A V E -de 120 201B 4 -50,-2.5 -48,-0.8 -2,-0.4 2,-0.4 -0.881 17.2-178.4-105.7 119.7 70.3 59.5 -10.0 170 170 A V E - e 0 202B 2 31,-2.8 33,-3.0 -2,-0.6 2,-0.4 -0.925 5.4-169.8-112.9 141.1 72.7 60.8 -7.4 171 171 A N E - e 0 203B 6 -2,-0.4 33,-0.1 31,-0.2 4,-0.1 -0.894 9.5-167.7-135.9 102.2 72.6 59.6 -3.7 172 172 A S S S+ 0 0 8 31,-0.7 2,-0.2 -2,-0.4 8,-0.2 -0.963 81.2 34.4-143.5 124.0 74.7 61.4 -1.1 173 173 A P S S- 0 0 0 0, 0.0 33,-0.4 0, 0.0 7,-0.2 0.498 112.3-133.0 -58.5 147.0 75.3 60.4 1.6 174 174 A N > - 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