==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-10 3ORT . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.C.GOOD,N.ECHOLS,T.N.LOMBANA,T.ALBER,TB STRUCTURAL GENOMICS . 271 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 0 0 1 1 2 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 1 0 1 0 2 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 1 0 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 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 0 170 0, 0.0 2,-0.2 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 112.5 5.9 45.7 -7.8 2 2 A T - 0 0 131 42,-0.1 3,-0.1 43,-0.0 0, 0.0 -0.584 360.0-121.0-104.0 164.1 6.0 48.2 -5.0 3 3 A T - 0 0 23 -2,-0.2 40,-0.0 1,-0.1 41,-0.0 -0.843 53.0 -96.4 -90.0 140.0 4.2 48.7 -1.7 4 4 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 -0.072 22.1-119.1 -58.5 162.9 2.5 52.1 -1.8 5 5 A S S S+ 0 0 86 7,-0.1 8,-1.9 -3,-0.1 2,-0.3 0.639 96.5 28.5 -71.6 -18.4 4.2 55.2 -0.4 6 6 A H E -A 12 0A 65 6,-0.2 2,-0.4 22,-0.0 6,-0.2 -0.946 60.5-150.3-141.5 158.6 1.2 55.6 2.1 7 7 A L E > S-A 11 0A 0 4,-1.7 4,-1.6 -2,-0.3 3,-0.4 -0.918 84.6 -26.3-135.8 108.3 -1.4 53.5 3.9 8 8 A S T 4 S- 0 0 63 -2,-0.4 -1,-0.2 1,-0.2 72,-0.1 -0.277 98.4 -76.1 61.5-172.8 -4.5 55.5 4.4 9 9 A D T 4 S+ 0 0 150 1,-0.1 -1,-0.2 -3,-0.1 22,-0.1 0.500 129.7 71.0 -87.0 -2.3 -3.5 59.2 4.5 10 10 A R T 4 S+ 0 0 49 -3,-0.4 21,-3.0 1,-0.2 2,-0.7 0.885 86.6 58.7 -84.2 -45.1 -2.2 58.5 8.0 11 11 A Y E < -AB 7 30A 2 -4,-1.6 -4,-1.7 19,-0.2 2,-0.7 -0.817 59.1-167.4-103.7 112.3 0.9 56.3 7.5 12 12 A E E -AB 6 29A 89 17,-2.9 17,-2.8 -2,-0.7 -6,-0.2 -0.861 24.5-133.1 -97.3 114.0 3.8 57.6 5.5 13 13 A L E + B 0 28A 28 -8,-1.9 15,-0.3 -2,-0.7 3,-0.1 -0.387 30.2 169.5 -73.0 136.7 6.2 54.8 4.7 14 14 A G E - 0 0 50 13,-3.9 -1,-0.1 1,-0.4 14,-0.1 0.140 50.8 -4.2-109.0-130.8 9.9 55.1 5.2 15 15 A E E - 0 0 63 11,-0.1 12,-3.5 1,-0.1 -1,-0.4 -0.316 68.5-113.7 -65.5 144.9 12.6 52.4 5.1 16 16 A I E - B 0 26A 105 10,-0.3 10,-0.3 1,-0.1 3,-0.1 -0.638 32.1-177.8 -73.3 135.0 11.9 48.7 4.7 17 17 A L E - 0 0 79 8,-3.4 2,-0.3 1,-0.4 9,-0.2 0.760 52.4 -30.5-106.8 -37.7 12.9 46.9 7.9 18 18 A G E - B 0 25A 31 7,-1.8 7,-3.2 2,-0.0 -1,-0.4 -0.978 44.6-146.0-169.7 170.1 12.2 43.2 7.2 19 19 A F E + B 0 24A 153 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.978 14.1 179.4-150.2 161.0 10.2 40.6 5.5 20 20 A G - 0 0 34 3,-2.7 23,-0.0 -2,-0.3 -2,-0.0 -0.564 55.3 -53.5-138.7-159.4 9.0 37.1 6.2 21 21 A G S S+ 0 0 62 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.852 132.6 4.2 -56.3 -41.2 7.0 34.3 4.7 22 22 A M S S+ 0 0 17 1,-0.1 21,-2.4 33,-0.0 2,-0.3 0.526 121.2 51.7-124.0 -13.1 4.0 36.5 4.0 23 23 A S E - C 0 42A 11 19,-0.3 -3,-2.7 20,-0.0 2,-0.4 -0.870 52.0-144.4-136.0 164.3 4.8 40.1 4.9 24 24 A E E -BC 19 41A 20 17,-2.5 17,-2.8 -2,-0.3 2,-0.5 -0.968 20.7-148.7-120.4 138.7 7.1 43.1 4.6 25 25 A V E -BC 18 40A 29 -7,-3.2 -8,-3.4 -2,-0.4 -7,-1.8 -0.938 16.0-174.0-114.1 131.0 7.6 45.4 7.5 26 26 A H E -BC 16 39A 16 13,-2.5 13,-2.8 -2,-0.5 2,-0.4 -0.943 29.2-118.2-122.8 143.6 8.4 49.1 7.0 27 27 A L E - C 0 38A 32 -12,-3.5 -13,-3.9 -2,-0.4 2,-0.3 -0.662 45.5-178.6 -71.1 132.0 9.3 52.0 9.2 28 28 A A E -BC 13 37A 1 9,-2.8 9,-3.0 -2,-0.4 2,-0.6 -0.971 29.5-129.6-136.5 154.4 6.5 54.5 8.9 29 29 A R E -BC 12 36A 119 -17,-2.8 -17,-2.9 -2,-0.3 2,-0.8 -0.921 18.2-142.2 -99.8 121.6 5.6 57.9 10.3 30 30 A D E >> -BC 11 35A 1 5,-3.7 5,-1.4 -2,-0.6 4,-0.8 -0.815 15.0-166.0 -78.4 110.1 2.1 58.2 11.7 31 31 A L T 45S+ 0 0 76 -21,-3.0 -1,-0.2 -2,-0.8 -20,-0.1 0.728 82.3 53.9 -74.9 -24.7 1.3 61.7 10.5 32 32 A R T 45S+ 0 0 170 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.963 122.8 23.6 -73.9 -54.3 -1.7 61.9 12.8 33 33 A D T 45S- 0 0 66 2,-0.1 -2,-0.2 -23,-0.1 -1,-0.2 0.288 101.4-121.6 -94.7 7.1 0.1 61.1 16.1 34 34 A H T <5 + 0 0 161 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.951 65.7 137.5 47.8 60.5 3.6 62.1 15.1 35 35 A R E < -C 30 0A 92 -5,-1.4 -5,-3.7 2,-0.0 2,-0.5 -0.999 57.5-129.6-139.7 135.6 5.0 58.7 15.8 36 36 A D E +C 29 0A 66 -2,-0.4 58,-0.5 -7,-0.2 2,-0.2 -0.762 42.4 169.5 -78.6 127.0 7.4 56.3 14.1 37 37 A V E -C 28 0A 0 -9,-3.0 -9,-2.8 -2,-0.5 2,-0.5 -0.772 36.4-113.4-128.7 169.4 5.7 52.9 13.9 38 38 A A E -CD 27 92A 6 54,-3.1 54,-3.2 -2,-0.2 2,-0.5 -0.951 27.1-161.2-103.3 132.4 6.2 49.6 12.1 39 39 A V E -CD 26 91A 0 -13,-2.8 -13,-2.5 -2,-0.5 2,-0.5 -0.976 1.6-158.6-115.6 123.0 3.7 48.7 9.5 40 40 A K E +CD 25 90A 21 50,-2.9 50,-2.5 -2,-0.5 2,-0.3 -0.900 19.1 178.0 -99.7 129.0 3.4 45.1 8.5 41 41 A V E -CD 24 89A 0 -17,-2.8 -17,-2.5 -2,-0.5 48,-0.2 -0.955 39.9 -90.6-133.5 147.7 1.9 44.6 5.1 42 42 A L E -C 23 0A 0 46,-1.5 -19,-0.3 -2,-0.3 5,-0.1 -0.333 64.3 -92.4 -52.2 131.6 1.1 41.7 2.8 43 43 A R > - 0 0 52 -21,-2.4 4,-0.6 1,-0.1 3,-0.2 -0.215 28.9-127.7 -52.5 140.5 4.2 41.3 0.6 44 44 A A T 4 S+ 0 0 15 1,-0.2 4,-0.2 2,-0.2 3,-0.2 0.798 107.8 47.6 -64.0 -30.0 3.9 43.2 -2.6 45 45 A D T 4 S+ 0 0 76 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.808 116.7 41.3 -82.0 -31.8 4.8 40.1 -4.7 46 46 A L T >4 S+ 0 0 28 -3,-0.2 3,-1.7 1,-0.2 7,-0.3 0.402 88.6 99.1 -87.4 0.7 2.3 37.8 -2.9 47 47 A A T 3< S+ 0 0 14 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.716 78.3 52.2 -70.6 -22.4 -0.4 40.4 -2.8 48 48 A R T 3 S+ 0 0 137 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.487 87.2 98.3 -87.6 -6.4 -2.3 39.1 -5.8 49 49 A D <> - 0 0 63 -3,-1.7 4,-2.4 1,-0.1 3,-0.3 -0.752 63.1-154.9 -85.4 114.7 -2.4 35.6 -4.3 50 50 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.813 92.1 57.9 -59.1 -30.8 -5.8 35.0 -2.6 51 51 A S H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.888 111.3 41.4 -69.0 -40.1 -4.3 32.3 -0.3 52 52 A F H > S+ 0 0 50 -3,-0.3 4,-3.0 -6,-0.2 5,-0.2 0.882 110.6 56.4 -71.7 -42.3 -1.8 34.7 1.1 53 53 A Y H X S+ 0 0 48 -4,-2.4 4,-1.9 -7,-0.3 -2,-0.2 0.927 112.2 44.7 -52.4 -44.6 -4.3 37.5 1.3 54 54 A L H X S+ 0 0 74 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.912 112.2 49.7 -67.3 -46.0 -6.4 35.2 3.4 55 55 A R H X S+ 0 0 113 -4,-2.0 4,-2.9 1,-0.2 5,-0.5 0.925 109.7 53.2 -57.5 -44.9 -3.6 34.0 5.6 56 56 A F H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 6,-0.3 0.928 112.9 42.2 -61.5 -45.7 -2.5 37.6 6.2 57 57 A R H <5S+ 0 0 105 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.916 120.3 42.7 -65.1 -41.6 -5.9 38.6 7.4 58 58 A R H <5S+ 0 0 165 -4,-2.7 102,-0.4 -5,-0.2 -2,-0.2 0.769 131.6 16.3 -79.3 -24.6 -6.5 35.5 9.5 59 59 A E T ><5S+ 0 0 27 -4,-2.9 3,-2.2 -5,-0.2 -3,-0.2 0.769 126.6 35.9-111.5 -76.8 -3.0 35.3 11.0 60 60 A A G > 5S+ 0 0 9 -5,-0.5 3,-1.4 1,-0.3 -3,-0.2 0.859 119.4 50.4 -51.9 -46.1 -0.7 38.4 10.9 61 61 A Q G 3 - 0 0 47 -2,-0.7 3,-1.8 3,-0.4 -2,-0.1 -0.979 66.1-119.5-151.1 145.8 3.8 45.2 28.5 69 69 A P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 56,-0.0 0.716 115.8 46.6 -61.9 -21.6 7.4 46.6 28.1 70 70 A A T 3 S+ 0 0 10 83,-0.1 84,-2.9 51,-0.1 2,-0.4 0.170 101.5 81.0-102.7 12.6 8.6 43.2 26.7 71 71 A I B < S-f 154 0B 1 -3,-1.8 2,-0.6 82,-0.2 -3,-0.4 -0.982 83.2-121.9-121.5 134.3 5.7 42.9 24.2 72 72 A V - 0 0 7 82,-3.0 -6,-0.3 -2,-0.4 84,-0.3 -0.620 36.7-131.7 -72.4 114.8 5.5 44.6 20.8 73 73 A A - 0 0 16 -2,-0.6 20,-2.7 -8,-0.1 2,-0.5 -0.364 8.3-137.9 -69.8 150.2 2.3 46.6 21.1 74 74 A V E +E 92 0A 29 18,-0.2 18,-0.3 -8,-0.2 3,-0.1 -0.933 24.1 175.4-109.1 126.5 -0.3 46.5 18.3 75 75 A Y E - 0 0 92 16,-2.9 2,-0.3 -2,-0.5 17,-0.2 0.811 54.4 -13.3 -99.4 -38.5 -1.7 49.9 17.4 76 76 A D E -E 91 0A 55 15,-1.7 15,-3.2 2,-0.0 -1,-0.3 -0.972 46.8-154.6-162.3 156.4 -4.0 49.5 14.4 77 77 A T E +E 90 0A 67 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.948 28.7 134.1-137.4 164.6 -5.1 47.3 11.5 78 78 A G E -E 89 0A 17 11,-2.1 11,-2.8 -2,-0.3 2,-0.4 -0.980 44.5-103.6 177.6-172.5 -6.6 48.1 8.1 79 79 A E E -E 88 0A 67 -2,-0.3 2,-0.3 9,-0.3 -2,-0.0 -0.957 23.3-154.0-146.3 115.9 -6.8 47.7 4.4 80 80 A A E -E 87 0A 11 7,-2.9 7,-3.9 -2,-0.4 2,-0.6 -0.731 22.3-124.1 -87.0 142.6 -5.5 50.2 1.9 81 81 A E E -E 86 0A 145 -2,-0.3 -73,-0.1 5,-0.2 -2,-0.0 -0.825 35.7-171.7 -86.2 123.3 -7.0 50.3 -1.5 82 82 A T E > -E 85 0A 18 3,-1.8 3,-0.8 -2,-0.6 -79,-0.0 -0.895 38.9-114.9-117.1 145.1 -4.2 49.8 -4.0 83 83 A P T 3 S+ 0 0 151 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.823 124.5 46.9 -42.6 -35.8 -4.3 50.1 -7.9 84 84 A A T 3 S- 0 0 68 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.811 130.5 -77.6 -73.2 -37.0 -3.5 46.4 -7.7 85 85 A G E < S- E 0 82A 13 -3,-0.8 -3,-1.8 -5,-0.0 -1,-0.3 -0.936 71.4 -28.0 158.5-175.8 -6.2 45.6 -5.1 86 86 A P E - E 0 81A 41 0, 0.0 -5,-0.2 0, 0.0 -7,-0.0 -0.482 54.8-157.6 -66.3 133.4 -7.0 45.8 -1.3 87 87 A L E - E 0 80A 10 -7,-3.9 -7,-2.9 -2,-0.2 2,-0.1 -0.920 5.1-149.3-124.1 106.3 -3.8 45.7 0.8 88 88 A P E + E 0 79A 0 0, 0.0 -46,-1.5 0, 0.0 2,-0.3 -0.378 21.9 173.0 -76.6 149.9 -4.2 44.6 4.4 89 89 A Y E -DE 41 78A 8 -11,-2.8 -11,-2.1 -48,-0.2 2,-0.4 -0.967 25.7-147.4-149.1 164.2 -1.9 45.8 7.1 90 90 A I E -DE 40 77A 1 -50,-2.5 -50,-2.9 -2,-0.3 2,-0.5 -0.998 15.8-147.4-134.7 133.8 -1.2 45.9 10.8 91 91 A V E +DE 39 76A 1 -15,-3.2 -16,-2.9 -2,-0.4 -15,-1.7 -0.863 29.3 159.5-103.1 131.4 0.4 48.8 12.6 92 92 A M E -DE 38 74A 9 -54,-3.2 -54,-3.1 -2,-0.5 -18,-0.2 -0.893 44.6 -62.1-144.6 173.3 2.6 48.1 15.6 93 93 A E - 0 0 37 -20,-2.7 2,-0.4 -2,-0.3 -56,-0.1 -0.299 54.6-121.8 -56.6 133.1 5.3 49.4 17.9 94 94 A Y - 0 0 65 -58,-0.5 2,-0.5 -66,-0.1 -1,-0.1 -0.694 23.4-163.4 -81.2 129.2 8.6 50.0 16.1 95 95 A V - 0 0 17 -2,-0.4 2,-1.2 2,-0.1 51,-0.1 -0.977 10.9-155.1-115.8 117.2 11.7 48.1 17.3 96 96 A D + 0 0 96 -2,-0.5 52,-2.8 49,-0.1 53,-0.3 -0.816 66.4 72.0 -86.6 97.5 15.0 49.3 16.3 97 97 A G E S-G 147 0B 28 -2,-1.2 2,-0.3 50,-0.3 50,-0.2 -0.953 78.7 -83.9 176.8-166.0 16.8 46.0 16.6 98 98 A V E -G 146 0B 66 48,-2.0 48,-2.7 -2,-0.3 2,-0.1 -0.960 34.6-113.9-134.6 142.6 17.3 42.5 15.3 99 99 A T E > -G 145 0B 22 -2,-0.3 4,-2.0 46,-0.3 46,-0.3 -0.377 29.1-116.6 -69.2 157.1 15.4 39.2 15.8 100 100 A L H > S+ 0 0 0 44,-2.7 4,-2.4 41,-1.1 5,-0.2 0.823 117.0 60.7 -62.4 -31.5 17.0 36.3 17.6 101 101 A R H > S+ 0 0 161 40,-1.0 4,-2.1 43,-0.3 -1,-0.2 0.968 107.8 43.3 -61.1 -49.8 16.8 34.3 14.4 102 102 A D H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.890 112.1 53.9 -60.3 -38.5 19.0 37.0 12.7 103 103 A I H X S+ 0 0 8 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.936 110.7 44.9 -66.0 -44.0 21.4 37.2 15.7 104 104 A V H X S+ 0 0 17 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.901 115.4 49.8 -64.6 -40.1 22.0 33.4 15.7 105 105 A H H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.898 121.4 31.6 -65.7 -45.7 22.5 33.5 11.9 106 106 A T H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.822 134.3 22.8 -86.1 -30.8 24.9 36.4 11.8 107 107 A E H < S- 0 0 129 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.508 92.9-130.8-117.8 -9.0 26.8 36.0 15.2 108 108 A G < - 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0 0 5 0, 0.0 -9,-0.1 0, 0.0 -32,-0.1 -0.354 37.4-108.1 -73.0 162.2 17.6 24.1 17.3 198 215 A P S S+ 0 0 7 0, 0.0 2,-0.4 0, 0.0 19,-0.4 0.860 100.6 28.4 -58.1 -39.6 16.9 20.8 19.2 199 216 A F - 0 0 7 -35,-0.3 2,-0.3 17,-0.1 8,-0.1 -0.984 63.1-177.7-131.5 131.5 15.6 18.9 16.2 200 217 A T + 0 0 74 -2,-0.4 2,-0.3 6,-0.1 -4,-0.0 -0.962 12.0 174.2-125.4 148.5 16.3 19.3 12.5 201 218 A G - 0 0 37 -2,-0.3 -37,-0.0 1,-0.0 6,-0.0 -0.973 47.0-114.7-149.3 161.6 14.6 17.3 9.7 202 219 A D S S+ 0 0 113 -2,-0.3 3,-0.0 1,-0.0 -1,-0.0 0.493 105.7 12.6 -73.0 -4.1 14.3 16.9 6.0 203 220 A S S > S- 0 0 45 1,-0.0 4,-1.7 -40,-0.0 5,-0.1 -0.969 81.7-105.1-161.1 164.8 10.6 18.0 6.4 204 221 A P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.778 119.0 55.6 -69.4 -27.3 8.2 19.4 9.0 205 222 A V H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.854 107.1 50.4 -70.6 -36.6 6.6 16.0 9.6 206 223 A S H > S+ 0 0 41 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 113.1 45.1 -64.4 -43.4 10.1 14.6 10.5 207 224 A V H X S+ 0 0 5 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.927 112.0 51.9 -66.6 -46.2 10.8 17.4 12.9 208 225 A A H X S+ 0 0 28 -4,-2.4 4,-1.9 1,-0.2 3,-0.2 0.928 107.8 53.3 -55.5 -45.2 7.3 17.1 14.4 209 226 A Y H X S+ 0 0 130 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.918 107.5 50.8 -53.2 -48.3 8.0 13.3 14.9 210 227 A Q H X S+ 0 0 35 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.808 106.4 54.2 -63.7 -35.5 11.2 14.1 16.8 211 228 A H H < S+ 0 0 1 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.879 115.6 40.0 -61.9 -44.2 9.4 16.5 19.1 212 229 A V H < S+ 0 0 36 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.908 133.3 17.5 -67.0 -44.5 6.9 13.8 20.1 213 230 A R H < S+ 0 0 177 -4,-2.7 2,-0.4 -5,-0.2 -3,-0.2 0.682 104.0 73.5-114.8 -23.2 9.3 10.8 20.2 214 231 A E < - 0 0 98 -4,-2.1 -1,-0.1 -5,-0.3 0, 0.0 -0.854 67.5-125.0-115.7 134.9 13.0 11.7 20.5 215 232 A D - 0 0 129 -2,-0.4 24,-0.1 1,-0.1 2,-0.1 -0.434 32.4-116.3 -69.1 134.2 15.1 13.0 23.4 216 233 A P - 0 0 17 0, 0.0 -17,-0.1 0, 0.0 -1,-0.1 -0.439 28.5-109.1 -70.3 148.0 17.0 16.2 22.7 217 234 A I - 0 0 86 -19,-0.4 5,-0.1 1,-0.1 0, 0.0 -0.632 47.0-102.0 -68.6 130.3 20.8 16.0 22.9 218 235 A P >> - 0 0 35 0, 0.0 3,-2.7 0, 0.0 4,-1.0 -0.375 28.4-119.5 -61.5 138.3 21.8 17.9 26.0 219 236 A P H 3> S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.787 111.2 59.8 -45.7 -38.5 23.1 21.4 25.2 220 237 A S H 34 S+ 0 0 37 1,-0.3 6,-0.2 2,-0.2 5,-0.1 0.691 102.8 54.2 -71.8 -15.5 26.5 20.8 26.7 221 238 A A H <4 S+ 0 0 71 -3,-2.7 -1,-0.3 1,-0.1 3,-0.1 0.791 110.2 46.2 -80.3 -31.5 26.9 17.9 24.3 222 239 A R H < S+ 0 0 82 -4,-1.0 2,-0.3 -3,-0.5 -2,-0.2 0.606 123.9 16.1 -81.9 -15.6 26.2 20.2 21.3 223 240 A H S >< S- 0 0 75 -4,-1.1 3,-0.6 3,-0.1 -1,-0.2 -0.973 74.9-107.2-165.7 142.9 28.4 23.1 22.4 224 241 A E T 3 S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.235 91.9 34.9 -73.3 156.2 31.3 24.1 24.7 225 242 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 -5,-0.1 -1,-0.2 0.587 81.6 126.5 81.1 13.8 31.0 26.3 27.8 226 243 A L < - 0 0 20 -3,-0.6 -1,-0.2 -6,-0.2 -3,-0.1 -0.913 48.7-143.5-109.7 127.2 27.6 25.0 28.9 227 244 A S > - 0 0 53 -2,-0.5 4,-1.8 -3,-0.1 -7,-0.2 -0.258 23.5-113.8 -82.7 169.2 27.1 23.7 32.4 228 245 A A H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 42,-0.2 0.820 116.9 61.8 -70.4 -30.4 25.0 20.7 33.7 229 246 A D H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 105.9 46.4 -58.7 -42.2 22.8 23.3 35.6 230 247 A L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.908 109.2 53.4 -67.5 -42.1 21.9 24.8 32.2 231 248 A D H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.927 108.2 53.0 -53.5 -44.3 21.2 21.3 30.7 232 249 A A H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.917 111.4 43.5 -60.4 -44.8 18.9 20.7 33.6 233 250 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.920 117.9 44.1 -68.9 -43.8 16.9 23.9 33.0 234 251 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.927 112.7 51.0 -68.7 -44.7 16.7 23.5 29.2 235 252 A L H < S+ 0 0 37 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.840 108.2 53.4 -68.4 -27.5 15.9 19.8 29.4 236 253 A K H >< S+ 0 0 48 -4,-1.6 3,-1.6 -5,-0.3 -1,-0.2 0.931 107.9 49.0 -65.2 -49.1 13.0 20.5 31.9 237 254 A A H 3< S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -51,-0.2 0.872 113.7 50.2 -56.0 -35.8 11.4 23.1 29.5 238 255 A L T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.175 78.4 135.8 -91.7 14.6 11.7 20.4 26.8 239 256 A A < - 0 0 19 -3,-1.6 6,-0.1 1,-0.1 -3,-0.1 -0.389 56.7-134.6 -60.9 140.2 10.1 17.5 28.7 240 257 A K S S+ 0 0 53 4,-0.1 -71,-0.2 -2,-0.1 -1,-0.1 0.926 91.2 65.0 -64.1 -43.7 7.7 15.6 26.5 241 258 A N S > S- 0 0 76 1,-0.1 3,-2.3 -73,-0.1 4,-0.4 -0.689 79.5-142.8 -84.2 120.5 5.0 15.5 29.2 242 259 A P G > S+ 0 0 27 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.806 99.5 65.9 -52.9 -27.5 3.7 18.9 30.0 243 260 A E G 3 S+ 0 0 117 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.677 100.6 50.0 -67.5 -18.8 3.4 17.8 33.7 244 261 A N G < S+ 0 0 100 -3,-2.3 -1,-0.2 2,-0.1 2,-0.1 0.418 99.8 80.2 -99.8 -0.0 7.3 17.5 33.8 245 262 A R S < S- 0 0 3 -3,-1.2 2,-0.2 -4,-0.4 -8,-0.2 -0.366 104.0 -69.4 -87.6 177.1 8.0 20.9 32.4 246 263 A Y - 0 0 4 1,-0.1 -1,-0.2 -2,-0.1 -64,-0.1 -0.546 44.7-145.1 -59.8 132.2 7.9 24.2 34.2 247 264 A Q S S+ 0 0 55 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.751 77.2 22.7 -80.2 -23.6 4.2 24.8 34.8 248 265 A T S > S- 0 0 53 1,-0.1 4,-1.7 -69,-0.1 5,-0.1 -0.938 77.0-116.8-135.5 159.1 4.4 28.6 34.3 249 266 A A H > S+ 0 0 1 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.853 118.8 56.7 -57.6 -36.2 6.7 31.0 32.5 250 267 A A H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 102.7 52.2 -68.0 -36.9 7.4 32.5 36.0 251 268 A E H > S+ 0 0 86 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 112.0 47.6 -63.0 -45.5 8.6 29.0 37.3 252 269 A M H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 3,-0.3 0.919 110.8 50.6 -58.0 -46.8 11.0 28.9 34.2 253 270 A R H X S+ 0 0 79 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.919 104.9 57.7 -61.1 -42.5 12.2 32.4 34.8 254 271 A A H X S+ 0 0 38 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.852 108.2 45.9 -57.5 -37.4 12.9 31.6 38.5 255 272 A D H X S+ 0 0 1 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.860 110.6 53.7 -73.4 -36.4 15.3 28.8 37.5 256 273 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.910 108.5 49.8 -57.1 -43.9 17.0 31.0 34.9 257 274 A V H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.860 108.2 53.2 -68.6 -36.6 17.6 33.6 37.6 258 275 A R H <>S+ 0 0 58 -4,-1.4 5,-2.9 -5,-0.2 3,-0.4 0.978 111.8 44.8 -57.8 -53.8 19.1 31.0 39.9 259 276 A V H ><5S+ 0 0 7 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.897 109.3 56.2 -60.4 -41.0 21.5 29.8 37.1 260 277 A H H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 111.8 43.5 -55.2 -38.7 22.4 33.5 36.3 261 278 A N T 3<5S- 0 0 102 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.301 120.4-111.1 -90.6 8.9 23.4 34.0 39.9 262 279 A G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.720 72.9 135.8 68.2 23.0 25.2 30.6 40.0 263 280 A E < - 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