==== 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 TRANSFERASE 29-MAR-10 3MCQ . COMPND 2 MOLECULE: THIAMINE-MONOPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 17.2 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 . 1 0.3 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 0 0 2 1 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 2 0 0 0 1 1 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 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 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 7 A L 0 0 138 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.3 9.3 -19.5 59.1 2 8 A I - 0 0 142 1,-0.0 2,-0.8 0, 0.0 0, 0.0 -0.655 360.0-131.6 -78.6 134.9 10.4 -18.0 62.4 3 9 A Q + 0 0 163 -2,-0.3 2,-0.2 4,-0.0 4,-0.1 -0.814 30.1 177.1 -92.3 106.9 9.5 -14.2 62.8 4 10 A R - 0 0 194 -2,-0.8 3,-0.0 2,-0.1 0, 0.0 -0.600 44.4-105.7 -96.9 167.3 12.5 -12.2 64.1 5 11 A Y S S+ 0 0 229 -2,-0.2 2,-0.3 1,-0.1 -1,-0.0 0.806 102.3 24.3 -63.4 -30.5 12.5 -8.5 64.6 6 12 A F - 0 0 180 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.956 68.9-136.8-134.9 148.3 14.5 -7.9 61.4 7 13 A R - 0 0 166 -2,-0.3 2,-0.3 108,-0.1 107,-0.1 -0.877 27.2-147.1 -96.1 143.4 15.3 -9.7 58.2 8 14 A R - 0 0 203 -2,-0.4 107,-0.1 105,-0.1 2,-0.1 -0.843 17.3-106.2-113.7 149.0 18.9 -9.7 57.2 9 15 A A - 0 0 34 -2,-0.3 105,-0.2 105,-0.1 72,-0.1 -0.402 34.6-162.9 -72.2 143.8 20.4 -9.6 53.7 10 16 A H E -A 113 0A 115 103,-2.5 103,-2.7 -2,-0.1 -1,-0.0 -0.910 35.4 -73.1-125.9 158.1 22.0 -12.8 52.3 11 17 A P E -A 112 0A 84 0, 0.0 2,-0.5 0, 0.0 101,-0.2 -0.202 48.6-137.6 -54.4 134.9 24.4 -13.4 49.4 12 18 A S > - 0 0 17 99,-2.1 4,-1.6 1,-0.1 5,-0.5 -0.827 9.1-152.9-102.2 125.3 22.7 -13.1 46.0 13 19 A A T 4 S+ 0 0 100 -2,-0.5 -1,-0.1 1,-0.2 99,-0.0 0.825 98.8 56.1 -62.6 -32.2 23.4 -15.6 43.2 14 20 A V T 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.874 108.6 45.5 -69.5 -38.7 22.5 -12.9 40.6 15 21 A L T 4 S- 0 0 5 96,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.749 94.4-162.2 -75.6 -24.0 25.1 -10.5 42.0 16 22 A G < + 0 0 58 -4,-1.6 2,-0.4 1,-0.2 -3,-0.1 0.656 20.4 166.4 59.6 26.1 27.5 -13.5 42.1 17 23 A V - 0 0 35 -5,-0.5 -1,-0.2 94,-0.3 94,-0.2 -0.617 32.5-130.9 -78.6 125.8 30.2 -12.2 44.5 18 24 A G > - 0 0 38 -2,-0.4 3,-1.1 1,-0.1 4,-0.3 -0.400 16.3-123.3 -68.2 148.7 32.6 -14.8 45.9 19 25 A D G > S+ 0 0 140 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.813 111.8 62.2 -68.6 -25.3 33.1 -14.9 49.7 20 26 A D G > S+ 0 0 134 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.679 85.0 77.7 -68.7 -17.4 36.9 -14.4 49.1 21 27 A A G < S+ 0 0 28 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 73.6 79.7 -65.2 -18.5 36.1 -11.0 47.4 22 28 A A G < S+ 0 0 66 -3,-1.1 2,-0.5 -4,-0.3 -1,-0.3 0.578 79.9 79.4 -64.2 -12.5 35.6 -9.5 50.9 23 29 A L < + 0 0 140 -3,-1.5 2,-0.3 -4,-0.0 -3,-0.0 -0.898 61.9 175.9-101.6 127.8 39.5 -9.2 51.3 24 30 A I - 0 0 53 -2,-0.5 -2,-0.0 51,-0.0 51,-0.0 -0.866 26.3-137.8-126.4 159.3 41.2 -6.3 49.6 25 31 A Q - 0 0 153 -2,-0.3 2,-0.1 3,-0.0 -2,-0.0 -0.924 18.9-148.1-119.4 102.9 44.7 -5.0 49.4 26 32 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.455 33.2 -99.0 -65.8 143.1 45.0 -1.2 49.7 27 33 A S > - 0 0 43 1,-0.1 3,-2.0 -2,-0.1 0, 0.0 -0.404 47.2-101.6 -58.4 131.4 48.0 0.3 47.8 28 34 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.284 106.7 21.5 -59.0 142.1 50.9 0.9 50.1 29 35 A G T 3 S+ 0 0 64 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.181 99.9 114.2 87.4 -15.2 51.1 4.6 51.1 30 36 A X < - 0 0 61 -3,-2.0 2,-0.3 99,-0.1 -1,-0.2 -0.611 57.2-140.2 -93.9 146.8 47.5 5.4 50.2 31 37 A E E -B 128 0A 103 97,-2.9 97,-2.3 -2,-0.2 2,-0.4 -0.672 24.6-125.2 -84.3 158.1 44.7 6.6 52.4 32 38 A L E -B 127 0A 68 -2,-0.3 2,-0.5 95,-0.2 95,-0.2 -0.898 12.1-151.2-107.1 135.7 41.2 5.1 51.7 33 39 A A E -B 126 0A 11 93,-2.5 93,-2.5 -2,-0.4 2,-0.4 -0.920 18.1-167.4-102.0 131.7 38.2 7.4 51.1 34 40 A V E +B 125 0A 97 -2,-0.5 2,-0.4 91,-0.2 91,-0.2 -0.978 12.3 174.6-127.9 131.8 34.9 5.7 52.1 35 41 A S E -B 124 0A 25 89,-2.4 89,-3.0 -2,-0.4 2,-0.3 -0.992 8.0-167.7-136.3 132.3 31.3 6.8 51.4 36 42 A A E -B 123 0A 71 -2,-0.4 2,-0.3 87,-0.2 87,-0.2 -0.894 11.8-179.4-117.8 149.5 28.1 4.9 52.2 37 43 A D E -B 122 0A 48 85,-2.3 85,-0.7 -2,-0.3 2,-0.3 -0.928 17.5-154.8-146.6 159.0 24.7 5.7 50.8 38 44 A X E -B 121 0A 122 -2,-0.3 2,-0.5 83,-0.2 83,-0.2 -0.976 5.9-164.2-140.7 130.9 21.0 4.6 51.0 39 45 A L E -B 120 0A 59 81,-2.6 81,-2.5 -2,-0.3 2,-0.5 -0.974 6.4-163.6-116.0 125.5 18.4 5.2 48.3 40 46 A V E -B 119 0A 105 -2,-0.5 79,-0.2 79,-0.2 2,-0.1 -0.918 26.7-113.7-110.2 129.8 14.7 4.7 49.3 41 47 A A - 0 0 19 77,-2.4 2,-0.8 -2,-0.5 5,-0.1 -0.395 29.6-125.9 -62.0 134.6 12.0 4.3 46.5 42 48 A N > - 0 0 86 3,-0.4 3,-1.8 1,-0.2 -1,-0.1 -0.757 14.7-161.9 -88.8 110.2 9.6 7.3 46.4 43 49 A T T 3 S+ 0 0 116 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.748 92.1 58.0 -63.8 -21.7 6.0 6.1 46.7 44 50 A H T 3 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.509 126.0 17.5 -83.0 -9.3 4.9 9.5 45.3 45 51 A F S < S- 0 0 93 -3,-1.8 -3,-0.4 0, 0.0 -1,-0.2 -0.428 90.9-160.4-156.2 71.8 7.0 9.0 42.1 46 52 A Y - 0 0 87 -3,-0.4 2,-3.0 1,-0.1 -3,-0.1 -0.345 25.3-115.7 -73.3 138.0 7.7 5.3 42.0 47 53 A P + 0 0 31 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.297 51.0 155.6 -72.5 66.4 10.6 4.1 39.9 48 54 A N + 0 0 142 -2,-3.0 2,-0.2 2,-0.0 -2,-0.1 -0.561 44.6 106.0 -86.0 68.0 8.5 2.0 37.4 49 55 A I S S- 0 0 88 -2,-1.7 5,-0.1 1,-0.0 -3,-0.0 -0.752 85.2 -48.8-139.3 175.6 11.3 2.4 34.8 50 56 A D >> - 0 0 79 -2,-0.2 4,-1.3 1,-0.2 3,-0.8 -0.362 44.1-148.5 -57.4 116.6 14.0 0.3 33.3 51 57 A P H 3> S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.796 94.9 67.9 -63.8 -24.4 15.8 -1.5 36.2 52 58 A W H 3> S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 102.9 45.7 -52.4 -47.4 19.0 -1.4 34.1 53 59 A L H <> S+ 0 0 40 -3,-0.8 4,-2.6 2,-0.2 5,-0.3 0.858 109.0 55.3 -66.8 -34.9 19.0 2.4 34.5 54 60 A I H X S+ 0 0 20 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.943 112.4 43.8 -62.5 -45.9 18.2 2.1 38.3 55 61 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.928 114.0 49.0 -64.0 -45.1 21.3 -0.1 38.7 56 62 A W H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.2 3,-0.4 0.954 116.7 40.5 -60.0 -53.1 23.5 2.1 36.5 57 63 A K H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.830 105.6 65.6 -72.8 -30.5 22.6 5.4 38.2 58 64 A S H X S+ 0 0 7 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.894 112.3 35.1 -55.7 -43.6 22.6 3.8 41.8 59 65 A L H >X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.4 3,-0.9 0.912 112.7 60.9 -74.4 -44.8 26.3 3.2 41.4 60 66 A A H 3X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.849 100.5 53.0 -50.0 -44.7 27.0 6.4 39.4 61 67 A V H 3X S+ 0 0 7 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.837 111.7 47.1 -68.9 -25.9 25.8 8.8 42.2 62 68 A N H <>S+ 0 0 0 -4,-1.4 5,-2.1 2,-0.2 3,-0.8 0.909 109.4 52.2 -66.6 -42.5 34.3 9.7 45.3 67 73 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.891 103.2 58.0 -56.8 -43.5 35.0 12.2 42.5 68 74 A A H 3<5S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 109.4 45.3 -60.3 -26.5 34.1 15.0 44.9 69 75 A X T <<5S- 0 0 45 -3,-0.8 65,-1.5 -4,-0.8 -1,-0.3 0.385 113.1-117.5 -95.5 1.9 36.9 13.8 47.3 70 76 A G T < 5 + 0 0 0 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.694 64.7 148.7 68.4 23.3 39.4 13.4 44.5 71 77 A A < - 0 0 0 -5,-2.1 -1,-0.2 -6,-0.1 57,-0.2 -0.562 53.9-124.5 -92.4 150.1 39.7 9.6 45.1 72 78 A Q E -C 127 0A 70 55,-2.9 55,-2.2 -2,-0.2 -39,-0.1 -0.844 34.3-135.5 -86.2 106.9 40.4 6.7 42.7 73 79 A P E +C 126 0A 1 0, 0.0 53,-0.3 0, 0.0 3,-0.1 -0.370 39.9 155.1 -65.6 141.3 37.4 4.4 43.2 74 80 A R E + 0 0 87 51,-2.9 33,-2.5 1,-0.4 2,-0.3 0.587 53.5 28.6-131.1 -34.9 38.3 0.8 43.5 75 81 A W E -Cd 125 107A 17 50,-2.1 50,-2.8 31,-0.2 -1,-0.4 -0.971 51.8-176.5-137.4 148.7 35.7 -1.3 45.4 76 82 A A E -Cd 124 108A 0 31,-2.5 33,-3.2 -2,-0.3 34,-0.6 -0.949 11.0-155.0-138.6 157.4 32.0 -1.3 46.2 77 83 A T E -Cd 123 110A 36 46,-2.0 46,-1.7 -2,-0.3 2,-0.4 -0.932 14.1-159.9-122.9 155.4 29.5 -3.3 48.2 78 84 A L E +Cd 122 111A 0 32,-1.6 34,-2.2 -2,-0.3 2,-0.3 -0.999 13.7 174.7-139.7 131.1 25.8 -3.5 47.5 79 85 A T E -Cd 121 112A 43 42,-2.4 42,-3.1 -2,-0.4 2,-0.3 -0.986 12.0-175.1-132.8 142.6 22.8 -4.5 49.6 80 86 A I E -Cd 120 113A 3 32,-1.5 34,-2.4 -2,-0.3 2,-0.6 -0.995 23.0-149.3-141.9 132.5 19.2 -4.3 48.3 81 87 A A E -Cd 119 114A 17 38,-2.8 38,-1.4 -2,-0.3 34,-0.2 -0.916 23.6-159.1 -96.3 121.8 15.7 -4.8 49.8 82 88 A L E - d 0 115A 19 32,-2.5 34,-1.8 -2,-0.6 3,-0.1 -0.906 13.4-144.7-107.7 126.5 13.5 -6.0 47.0 83 89 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.680 81.4 3.8 -74.8 -16.3 9.7 -5.6 47.5 84 90 A E S S- 0 0 125 32,-0.1 2,-0.5 2,-0.1 32,-0.0 -0.966 88.9 -88.4-152.1 164.2 8.9 -8.8 45.7 85 91 A A + 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 30,-0.0 -0.659 58.3 157.0 -70.6 114.6 10.7 -11.8 44.2 86 92 A D > - 0 0 66 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.775 24.0-172.5-149.4 97.9 11.2 -10.6 40.6 87 93 A E H > S+ 0 0 131 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.872 86.0 53.8 -65.7 -40.4 14.0 -12.3 38.8 88 94 A D H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 107.4 52.0 -59.1 -46.1 13.8 -10.0 35.8 89 95 A W H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.931 113.4 40.8 -58.8 -53.1 14.1 -6.8 37.9 90 96 A I H X S+ 0 0 9 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.845 113.7 53.6 -70.7 -32.2 17.2 -7.8 39.9 91 97 A S H X S+ 0 0 47 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.920 113.1 43.8 -66.2 -41.6 18.9 -9.3 36.8 92 98 A K H X S+ 0 0 80 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 113.7 49.9 -72.0 -45.5 18.4 -6.0 34.9 93 99 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.935 111.0 50.9 -49.8 -51.6 19.5 -3.9 37.9 94 100 A A H X S+ 0 0 6 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.923 107.6 52.8 -56.5 -46.8 22.6 -6.1 38.3 95 101 A A H X S+ 0 0 47 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.906 113.4 42.9 -56.1 -46.2 23.5 -5.6 34.5 96 102 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 114.3 49.6 -70.4 -41.9 23.3 -1.9 34.8 97 103 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.949 114.2 46.2 -57.0 -50.3 25.1 -1.7 38.1 98 104 A F H X S+ 0 0 75 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.820 109.0 55.4 -65.2 -33.4 27.9 -3.9 36.7 99 105 A A H X S+ 0 0 36 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.933 109.9 45.9 -63.0 -47.8 28.1 -1.9 33.4 100 106 A C H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.937 113.0 50.5 -61.0 -46.0 28.7 1.3 35.5 101 107 A A H <>S+ 0 0 4 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.907 110.1 50.2 -57.0 -42.5 31.3 -0.6 37.6 102 108 A A H ><5S+ 0 0 71 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.922 106.1 55.4 -64.6 -43.0 33.1 -1.8 34.5 103 109 A Q H 3<5S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 117.8 35.4 -60.4 -31.1 33.2 1.6 33.0 104 110 A F T 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.218 111.3-115.1-110.2 14.4 35.0 2.9 36.1 105 111 A D T < 5 + 0 0 137 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.839 60.3 155.3 57.2 40.4 37.1 -0.2 36.9 106 112 A I < - 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0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.412 56.9 -84.3 -63.9 151.1 47.4 10.1 48.7 130 136 A P T 3 S+ 0 0 85 0, 0.0 -100,-0.0 0, 0.0 0, 0.0 -0.332 115.3 6.3 -61.6 136.1 47.7 11.3 52.3 131 137 A G T 3 S+ 0 0 77 1,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.364 105.3 99.2 72.8 -3.1 46.6 15.0 52.5 132 138 A A < + 0 0 26 -3,-2.2 62,-0.2 61,-0.1 -1,-0.1 0.416 52.8 116.7 -97.9 3.9 45.6 15.1 48.8 133 139 A S - 0 0 41 -4,-0.3 2,-0.5 -5,-0.1 -63,-0.2 -0.336 61.8-131.4 -69.9 150.1 41.8 14.6 49.5 134 140 A L - 0 0 6 -65,-1.5 2,-0.3 64,-0.1 64,-0.1 -0.913 28.3-172.6-101.5 129.1 39.3 17.3 48.6 135 141 A L - 0 0 84 -2,-0.5 64,-1.4 62,-0.3 3,-0.5 -0.793 32.8-130.5-117.9 161.4 36.8 18.2 51.4 136 142 A R S S+ 0 0 110 -2,-0.3 3,-0.4 62,-0.2 81,-0.2 0.625 101.8 63.3 -78.7 -13.4 33.6 20.3 51.6 137 143 A S S S+ 0 0 50 1,-0.2 -1,-0.2 79,-0.1 61,-0.1 0.364 86.8 70.2 -95.7 4.0 34.9 22.1 54.7 138 144 A T + 0 0 52 -3,-0.5 -1,-0.2 59,-0.1 2,-0.1 0.026 56.7 137.8-124.7 24.6 38.0 23.9 53.4 139 145 A A - 0 0 9 -3,-0.4 2,-0.3 74,-0.3 60,-0.0 -0.432 38.5-147.3 -72.3 149.8 36.9 26.7 51.0 140 146 A R > - 0 0 131 -2,-0.1 3,-1.6 58,-0.1 145,-0.3 -0.863 22.0 -89.5-125.6 153.1 38.8 30.0 51.4 141 147 A A T 3 S+ 0 0 50 -2,-0.3 145,-0.2 1,-0.3 3,-0.1 -0.344 112.6 19.4 -60.4 136.8 38.1 33.7 51.0 142 148 A D T 3 S+ 0 0 119 143,-2.7 120,-0.6 1,-0.3 2,-0.3 0.626 87.6 144.3 67.2 19.0 38.7 34.9 47.4 143 149 A D E < -E 261 0B 3 -3,-1.6 142,-2.4 142,-0.2 -1,-0.3 -0.648 54.4-119.3 -70.8 140.8 38.5 31.4 45.9 144 150 A D E -EF 260 284B 4 116,-2.9 116,-1.7 -2,-0.3 2,-0.6 -0.612 23.8-134.0 -64.3 144.6 36.9 31.2 42.5 145 151 A I E -EF 259 283B 0 138,-2.2 137,-3.2 -2,-0.2 138,-1.0 -0.963 27.6-168.0-104.3 120.2 33.8 29.0 42.6 146 152 A W E -EF 258 281B 11 112,-3.4 112,-2.1 -2,-0.6 2,-0.4 -0.817 16.7-159.6-107.4 149.9 33.8 26.6 39.6 147 153 A V E -EF 257 280B 0 133,-2.0 133,-1.9 -2,-0.3 110,-0.2 -0.984 14.4-145.5-123.0 135.1 31.1 24.3 38.2 148 154 A S - 0 0 0 108,-2.2 130,-0.5 -2,-0.4 109,-0.1 0.509 69.7 -15.9 -83.4 -4.5 32.3 21.4 36.1 149 155 A G S S- 0 0 0 107,-0.2 106,-0.1 128,-0.1 131,-0.1 -0.983 93.1 -37.2-179.2 177.3 29.4 21.3 33.6 150 156 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 80,-0.3 -0.205 50.1-151.1 -60.2 140.2 25.8 22.4 32.8 151 157 A L + 0 0 0 78,-1.7 80,-0.3 1,-0.1 96,-0.1 -0.889 65.5 35.2-111.7 146.3 23.2 22.5 35.5 152 158 A G S > S+ 0 0 0 -2,-0.4 4,-2.3 94,-0.2 5,-0.2 0.141 75.9 107.0 107.1 -17.4 19.5 22.0 35.3 153 159 A D H > S+ 0 0 16 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.927 82.1 47.4 -61.0 -47.6 19.1 19.3 32.6 154 160 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 114.9 46.9 -60.9 -45.3 18.1 16.5 35.0 155 161 A A H > S+ 0 0 12 96,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.884 113.3 49.1 -63.9 -39.3 15.6 18.7 36.8 156 162 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.910 110.7 49.7 -68.4 -44.5 14.2 19.9 33.5 157 163 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 18,-0.2 -2,-0.2 0.934 113.1 47.8 -54.0 -48.5 13.9 16.3 32.2 158 164 A L H X S+ 0 0 54 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 109.9 51.4 -60.5 -47.0 12.1 15.4 35.4 159 165 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 6,-1.0 0.882 111.9 47.9 -57.0 -41.8 9.8 18.4 35.2 160 166 A A H ><5S+ 0 0 19 -4,-2.3 3,-1.8 4,-0.2 -2,-0.2 0.943 110.2 50.2 -66.2 -48.5 8.8 17.4 31.7 161 167 A I H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 111.0 51.7 -54.9 -35.3 8.2 13.7 32.5 162 168 A Q T 3<5S- 0 0 69 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.278 116.0-114.7 -87.2 10.2 6.0 14.9 35.4 163 169 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.671 86.4 116.4 64.2 18.9 3.9 17.2 33.2 164 170 A R S - 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