==== 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 30-MAR-05 1Z8F . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.CHAN,M.R.SAWAYA,B.CHOI,G.ZOCCHI,L.J.PERRY,MYCOBACTERIUM . 184 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 18 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 0 0 3 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 19 A A 0 0 143 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.0 -17.4 44.5 14.8 2 20 A V - 0 0 120 1,-0.1 91,-0.2 92,-0.1 90,-0.1 -0.373 360.0-112.9 -62.4 129.2 -14.8 41.7 15.1 3 21 A G - 0 0 9 89,-3.6 2,-0.3 88,-0.3 93,-0.2 -0.305 33.1-107.9 -58.9 146.5 -11.8 42.6 17.2 4 22 A R - 0 0 89 178,-0.6 94,-3.2 91,-0.2 2,-0.6 -0.616 24.6-149.6 -79.9 135.8 -8.4 42.9 15.3 5 23 A V E -a 98 0A 9 111,-0.3 113,-3.1 -2,-0.3 2,-0.4 -0.939 15.8-173.3-107.4 113.6 -5.8 40.1 15.9 6 24 A V E -ab 99 118A 1 92,-2.9 94,-2.4 -2,-0.6 2,-0.6 -0.885 12.9-156.6-110.9 133.7 -2.2 41.3 15.6 7 25 A V E -ab 100 119A 0 111,-3.2 113,-3.3 -2,-0.4 2,-0.6 -0.942 14.6-159.3-111.8 113.6 0.8 39.0 15.7 8 26 A L E +ab 101 120A 0 92,-2.9 94,-2.0 -2,-0.6 2,-0.2 -0.843 26.4 140.1-103.7 123.2 3.9 40.9 16.8 9 27 A S E + b 0 121A 0 111,-2.7 113,-3.3 -2,-0.6 94,-0.1 -0.820 7.0 140.2-144.8-173.7 7.4 39.5 16.0 10 28 A G - 0 0 3 111,-0.3 94,-0.4 92,-0.3 113,-0.1 -0.939 57.8 -23.7 157.7-174.2 10.9 40.5 14.9 11 29 A P S > S- 0 0 1 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.319 73.6 -97.4 -61.2 139.9 14.6 39.8 15.5 12 30 A S T 3 S+ 0 0 76 1,-0.2 143,-0.1 2,-0.1 -3,-0.0 -0.495 114.6 18.0 -54.6 127.3 15.5 38.2 18.8 13 31 A A T 3 S+ 0 0 68 -2,-0.1 -1,-0.2 -3,-0.1 120,-0.0 0.799 79.4 126.5 70.9 38.0 16.6 41.4 20.8 14 32 A V S < S- 0 0 1 -3,-1.2 -2,-0.1 108,-0.0 -1,-0.0 0.463 90.6 -95.1 -89.7 -6.9 15.1 44.2 18.7 15 33 A G S S+ 0 0 26 -4,-0.2 4,-0.5 109,-0.0 -3,-0.1 0.911 72.5 151.9 87.3 60.2 13.4 45.6 21.9 16 34 A K >> + 0 0 37 2,-0.1 4,-1.8 1,-0.1 3,-0.6 0.880 63.6 60.5 -89.1 -43.4 10.0 43.9 21.5 17 35 A S H 3> S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.805 100.1 54.9 -52.3 -37.4 9.1 43.7 25.2 18 36 A T H 3> S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.829 108.1 48.0 -71.9 -36.0 9.2 47.6 25.7 19 37 A V H <> S+ 0 0 1 -3,-0.6 4,-2.5 -4,-0.5 -1,-0.2 0.880 107.7 58.9 -67.5 -40.7 6.7 48.3 23.0 20 38 A V H X S+ 0 0 10 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.865 104.5 47.7 -60.3 -41.1 4.5 45.5 24.4 21 39 A R H X S+ 0 0 150 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.855 110.4 53.9 -70.8 -29.0 4.2 47.2 27.8 22 40 A a H X S+ 0 0 7 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.946 108.7 48.4 -67.1 -44.7 3.4 50.5 26.0 23 41 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.866 109.1 53.3 -63.2 -37.6 0.6 48.9 24.1 24 42 A R H < S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.2 6,-0.2 0.850 112.3 44.2 -70.2 -31.4 -0.9 47.3 27.2 25 43 A E H < S+ 0 0 134 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.824 115.1 48.9 -77.5 -30.1 -1.0 50.7 29.0 26 44 A R H < S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.655 110.4 49.3 -90.0 -17.4 -2.4 52.5 26.0 27 45 A I S >< S- 0 0 8 -4,-1.6 3,-1.8 -5,-0.2 -1,-0.2 -0.870 70.7-163.8-126.0 99.9 -5.2 50.1 25.2 28 46 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.787 87.4 34.7 -53.3 -42.3 -7.2 49.3 28.4 29 47 A N T 3 S+ 0 0 90 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.160 80.5 142.3-103.9 18.4 -9.0 46.2 27.2 30 48 A L < - 0 0 18 -3,-1.8 2,-0.9 -6,-0.2 68,-0.2 -0.398 48.2-135.8 -64.0 129.1 -6.3 44.8 24.9 31 49 A H E -c 98 0A 55 66,-3.0 68,-2.8 -2,-0.1 2,-0.8 -0.787 15.3-159.6 -87.6 106.2 -6.3 41.0 25.1 32 50 A F E -c 99 0A 45 -2,-0.9 68,-0.2 66,-0.2 66,-0.1 -0.754 31.0-111.0 -83.4 112.1 -2.7 39.9 25.4 33 51 A S - 0 0 11 66,-3.1 2,-0.7 -2,-0.8 68,-0.3 -0.211 25.3-144.2 -48.2 129.7 -2.6 36.3 24.4 34 52 A V - 0 0 22 50,-0.1 50,-0.4 14,-0.1 17,-0.2 -0.885 21.4-132.0-102.5 108.1 -1.9 34.0 27.3 35 53 A S - 0 0 35 -2,-0.7 17,-1.9 15,-0.4 2,-0.3 -0.259 10.2-124.1 -64.2 145.9 0.3 31.1 26.1 36 54 A A E -eF 52 82B 0 46,-2.9 46,-1.7 15,-0.2 2,-0.3 -0.672 35.4-177.0 -78.2 143.2 -0.5 27.4 27.0 37 55 A T E -eF 53 81B 0 15,-2.8 17,-2.4 -2,-0.3 44,-0.2 -0.993 33.8-154.5-142.8 154.0 2.4 25.6 28.6 38 56 A T S S+ 0 0 21 42,-2.2 43,-0.1 -2,-0.3 -1,-0.1 0.466 71.5 95.0-102.0 -5.8 3.2 22.1 29.9 39 57 A R S S- 0 0 40 41,-0.5 15,-0.1 1,-0.1 -2,-0.1 -0.349 85.0 -95.9 -72.2 168.7 5.8 23.3 32.5 40 58 A C - 0 0 102 1,-0.1 2,-0.2 13,-0.1 -1,-0.1 -0.533 42.4 -92.4 -82.8 149.2 4.7 23.8 36.1 41 59 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.428 31.4-138.4 -57.2 128.8 3.7 27.2 37.6 42 60 A R > - 0 0 154 -2,-0.2 3,-2.0 1,-0.1 0, 0.0 -0.539 47.0 -77.4 -72.5 151.6 6.3 29.2 39.4 43 61 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.308 121.3 23.9 -51.3 134.8 5.1 30.8 42.6 44 62 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.328 90.8 123.5 85.1 -7.7 3.0 33.9 41.9 45 63 A E < - 0 0 37 -3,-2.0 2,-0.4 5,-0.0 -1,-0.3 -0.678 51.3-148.0 -81.5 142.8 2.0 32.8 38.5 46 64 A V >>> - 0 0 82 -2,-0.3 4,-3.0 -3,-0.1 3,-2.1 -0.960 15.5-119.5-116.5 128.9 -1.8 32.5 38.0 47 65 A D B 345S+h 51 0C 98 -2,-0.4 5,-0.2 1,-0.3 0, 0.0 -0.465 103.6 21.9 -65.1 130.6 -3.4 29.9 35.6 48 66 A G T 345S+ 0 0 33 3,-3.4 -1,-0.3 -2,-0.2 4,-0.2 0.413 127.8 52.3 90.2 -2.8 -5.4 31.8 32.9 49 67 A V T <45S+ 0 0 96 -3,-2.1 -2,-0.2 2,-0.7 3,-0.1 0.573 120.6 20.3-128.5 -52.9 -3.3 35.0 33.4 50 68 A D T <5S- 0 0 70 -4,-3.0 -15,-0.4 1,-0.4 2,-0.3 0.910 136.9 -24.8 -85.2 -44.1 0.4 34.1 33.2 51 69 A Y B < -h 47 0C 70 -5,-1.0 -3,-3.4 -17,-0.2 2,-0.7 -0.938 56.7-110.8-154.7 164.4 -0.1 30.9 31.4 52 70 A H E -e 36 0B 56 -17,-1.9 -15,-2.8 -2,-0.3 2,-0.9 -0.955 39.3-150.6-100.1 107.2 -2.7 28.2 30.8 53 71 A F E +e 37 0B 33 -2,-0.7 2,-0.3 -17,-0.2 -15,-0.2 -0.725 28.1 162.1 -87.4 105.2 -1.0 25.3 32.7 54 72 A I - 0 0 39 -17,-2.4 -2,-0.0 -2,-0.9 0, 0.0 -0.912 39.1-104.3-121.8 153.7 -2.0 22.0 31.0 55 73 A D > - 0 0 88 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.352 33.5-106.8 -75.9 156.1 -0.4 18.6 31.3 56 74 A P H > S+ 0 0 82 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.821 118.1 48.7 -47.9 -42.3 1.8 17.1 28.4 57 75 A T H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 3,-0.1 0.925 111.5 46.3 -68.0 -48.0 -0.9 14.6 27.4 58 76 A R H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 110.7 55.7 -62.9 -38.2 -3.8 17.1 27.2 59 77 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.869 103.8 54.2 -58.3 -39.4 -1.5 19.4 25.3 60 78 A Q H X S+ 0 0 68 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.886 106.6 51.4 -64.4 -40.4 -0.9 16.5 22.8 61 79 A Q H X S+ 0 0 80 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.953 108.5 51.1 -57.8 -50.0 -4.7 16.2 22.3 62 80 A L H <>S+ 0 0 15 -4,-2.2 5,-2.7 1,-0.2 6,-0.4 0.898 110.5 49.4 -58.6 -43.9 -4.9 19.9 21.6 63 81 A I H ><5S+ 0 0 32 -4,-2.3 3,-1.9 1,-0.2 5,-0.3 0.971 113.3 46.4 -54.7 -54.6 -2.2 19.6 19.1 64 82 A D H 3<5S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.818 110.3 53.2 -60.4 -33.4 -3.9 16.7 17.4 65 83 A Q T 3<5S- 0 0 117 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.289 114.6-112.7 -86.8 9.0 -7.3 18.5 17.4 66 84 A G T < 5S+ 0 0 61 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.804 75.1 134.7 66.1 33.0 -5.9 21.6 15.6 67 85 A E < + 0 0 63 -5,-2.7 18,-2.6 -6,-0.2 2,-0.5 0.415 47.6 78.6 -96.8 4.8 -6.4 23.8 18.7 68 86 A L E -G 84 0B 15 -6,-0.4 16,-0.2 -5,-0.3 3,-0.2 -0.946 55.9-163.4-116.9 128.9 -3.0 25.5 18.6 69 87 A L E S- 0 0 6 14,-2.7 44,-0.4 -2,-0.5 2,-0.3 0.870 86.6 -10.0 -72.1 -35.5 -2.2 28.4 16.3 70 88 A E E +G 83 0B 23 13,-0.9 13,-2.2 -3,-0.1 -1,-0.3 -0.967 66.7 175.1-157.7 152.5 1.5 27.6 17.1 71 89 A W E -G 82 0B 102 -2,-0.3 2,-0.3 11,-0.3 11,-0.3 -0.973 6.4-173.7-156.0 155.9 3.5 25.5 19.5 72 90 A A E -G 81 0B 39 9,-2.6 9,-1.5 -2,-0.3 2,-0.4 -0.979 32.1-101.0-149.4 160.1 7.1 24.6 20.0 73 91 A E E -G 80 0B 88 -2,-0.3 2,-0.4 7,-0.2 3,-0.3 -0.678 38.6-146.6 -78.2 136.0 9.5 22.5 22.0 74 92 A I E >>>S-G 79 0B 49 5,-3.6 5,-1.3 -2,-0.4 3,-1.3 -0.899 73.3 -1.9-107.8 137.7 11.1 24.5 24.8 75 93 A H G >45S- 0 0 154 -2,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.905 135.9 -50.1 50.9 48.8 14.6 23.8 26.0 76 94 A G G 345S- 0 0 86 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.622 117.5 -38.9 67.8 17.6 15.0 20.9 23.5 77 95 A G G <45S+ 0 0 37 -3,-1.3 -1,-0.2 2,-0.3 -2,-0.2 0.461 95.7 130.3 111.3 2.0 11.7 19.2 24.6 78 96 A L T <<5S- 0 0 133 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.919 90.0 -29.9 -43.6 -48.8 11.8 19.8 28.3 79 97 A H E < - G 0 74B 19 -5,-1.3 -5,-3.6 -40,-0.0 -2,-0.3 -0.926 68.4-110.6-158.5-177.6 8.3 21.0 27.8 80 98 A R E - G 0 73B 53 -2,-0.3 -42,-2.2 -7,-0.2 -41,-0.5 -0.853 20.0-175.8-123.8 157.6 6.1 22.8 25.2 81 99 A S E +FG 37 72B 21 -9,-1.5 -9,-2.6 -2,-0.3 2,-0.3 -0.960 16.4 143.6-142.9 157.8 4.4 26.2 24.8 82 100 A G E -FG 36 71B 1 -46,-1.7 -46,-2.9 -2,-0.3 2,-0.6 -0.979 47.0 -82.4-176.1-177.0 2.0 27.6 22.3 83 101 A T E - G 0 70B 1 -13,-2.2 -14,-2.7 -2,-0.3 -13,-0.9 -0.905 36.8-138.8-109.3 121.6 -0.9 29.8 21.5 84 102 A L E > - G 0 68B 23 -2,-0.6 4,-0.7 -50,-0.4 -16,-0.2 -0.619 5.9-146.8 -76.4 136.0 -4.4 28.4 21.9 85 103 A A H > S+ 0 0 6 -18,-2.6 4,-2.4 -2,-0.3 3,-0.2 0.870 84.0 64.3 -69.6 -41.8 -6.8 29.3 19.2 86 104 A Q H > S+ 0 0 108 -19,-0.4 4,-3.4 1,-0.2 5,-0.3 0.917 100.4 46.0 -61.9 -55.0 -10.1 29.5 21.2 87 105 A P H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.848 113.7 51.8 -58.5 -31.5 -9.5 32.4 23.5 88 106 A V H X S+ 0 0 1 -4,-0.7 4,-2.9 -3,-0.2 -2,-0.2 0.950 114.2 43.3 -64.7 -45.2 -8.1 34.4 20.6 89 107 A R H X S+ 0 0 94 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.903 114.2 49.3 -68.1 -41.0 -11.2 33.6 18.6 90 108 A A H X S+ 0 0 42 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.912 112.4 49.2 -65.4 -42.9 -13.5 34.3 21.5 91 109 A A H <>S+ 0 0 12 -4,-2.5 5,-2.0 -5,-0.3 4,-0.5 0.967 112.4 45.9 -58.8 -55.5 -11.8 37.6 22.2 92 110 A A H ><5S+ 0 0 6 -4,-2.9 -89,-3.6 1,-0.2 3,-1.4 0.903 111.9 52.4 -56.5 -40.9 -12.0 38.8 18.6 93 111 A A H 3<5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.2 54.9 -65.6 -30.6 -15.7 37.7 18.4 94 112 A T T 3<5S- 0 0 114 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.551 122.2-113.0 -77.6 -4.0 -16.4 39.7 21.5 95 113 A G T < 5S+ 0 0 32 -3,-1.4 -91,-0.2 -4,-0.5 -3,-0.2 0.585 71.8 137.9 84.1 8.9 -14.9 42.6 19.6 96 114 A V < - 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d 0 166A 0 -113,-3.3 45,-0.2 -2,-0.6 43,-0.1 -0.763 25.8-166.3 -84.1 104.2 9.2 45.0 14.4 123 141 A A E - d 0 167A 4 43,-2.4 45,-4.1 -2,-1.0 -113,-0.0 -0.688 21.3-114.6 -97.2 145.4 12.3 46.2 12.4 124 142 A P - 0 0 12 0, 0.0 45,-0.2 0, 0.0 3,-0.1 -0.339 31.5-114.2 -69.1 153.9 15.4 48.1 13.8 125 143 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.620 92.9 -13.3 -70.6 -9.8 15.7 51.7 12.5 126 144 A S S > S- 0 0 55 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.931 71.2-100.4-173.0 163.0 19.0 50.5 10.8 127 145 A W H > S+ 0 0 69 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.910 120.7 53.0 -56.5 -44.6 21.5 47.7 10.7 128 146 A Q H > S+ 0 0 144 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 104.4 54.8 -65.7 -39.2 23.9 49.7 12.9 129 147 A D H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.976 112.9 42.6 -50.7 -59.3 21.3 50.4 15.5 130 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.919 112.9 52.3 -56.0 -47.4 20.7 46.6 15.9 131 149 A Q H X S+ 0 0 59 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.891 106.6 53.6 -58.8 -40.6 24.4 45.7 15.8 132 150 A A H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.923 110.1 48.0 -59.1 -43.7 25.1 48.2 18.6 133 151 A R H < S+ 0 0 103 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.3 50.5 -63.7 -39.6 22.4 46.5 20.7 134 152 A L H < S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.6 41.7 -71.2 -33.2 23.8 43.0 19.9 135 153 A I H >< S+ 0 0 71 -4,-2.1 3,-2.7 -5,-0.2 4,-0.3 0.870 86.5 150.4 -77.6 -38.1 27.4 43.9 20.9 136 154 A G T 3< S- 0 0 49 -4,-2.6 -1,-0.1 1,-0.3 -2,-0.1 -0.136 76.7 -11.7 47.1-124.6 26.0 45.9 23.9 137 155 A R T 3 S- 0 0 238 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.536 92.6-120.3 -83.7 -4.6 28.5 45.8 26.7 138 156 A G < + 0 0 42 -3,-2.7 -2,-0.1 -4,-0.1 -3,-0.1 0.900 64.6 143.4 65.4 45.7 30.6 43.2 24.9 139 157 A C + 0 0 119 -4,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.617 51.8 76.1 -88.6 -14.8 30.3 40.6 27.8 140 158 A E S S- 0 0 83 -5,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.490 89.0 -93.6 -97.2 163.0 30.1 37.7 25.3 141 159 A T > - 0 0 78 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.332 34.4-110.3 -71.9 156.1 32.8 35.9 23.3 142 160 A A H > S+ 0 0 77 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 118.3 53.6 -47.4 -47.1 33.5 36.8 19.7 143 161 A D H > S+ 0 0 133 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 109.2 47.0 -60.5 -47.7 32.0 33.5 18.5 144 162 A V H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.946 114.6 47.2 -57.5 -50.2 28.7 34.1 20.3 145 163 A I H X S+ 0 0 29 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 110.5 50.8 -60.8 -45.2 28.5 37.7 18.9 146 164 A Q H X S+ 0 0 98 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.933 110.5 51.7 -56.2 -46.4 29.4 36.6 15.4 147 165 A R H X S+ 0 0 185 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.929 109.4 49.2 -57.2 -45.9 26.6 34.0 15.7 148 166 A R H X S+ 0 0 102 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.882 110.0 50.6 -59.7 -41.8 24.1 36.7 16.9 149 167 A L H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 111.6 48.1 -65.6 -41.0 25.0 39.1 14.0 150 168 A D H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 111.6 50.1 -63.3 -39.8 24.5 36.2 11.5 151 169 A T H X S+ 0 0 52 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.898 109.2 52.7 -66.3 -39.5 21.2 35.4 13.1 152 170 A A H X S+ 0 0 3 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.936 108.1 50.0 -62.9 -45.6 20.1 39.0 12.9 153 171 A R H X S+ 0 0 118 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.925 111.9 47.4 -61.5 -43.6 20.9 39.1 9.3 154 172 A I H X S+ 0 0 123 -4,-2.1 4,-0.9 2,-0.2 3,-0.4 0.966 113.5 48.1 -59.3 -53.4 18.8 36.0 8.5 155 173 A E H >< S+ 0 0 31 -4,-2.9 3,-1.7 1,-0.2 4,-0.5 0.950 109.4 53.3 -54.1 -51.2 15.9 37.2 10.6 156 174 A L H >< S+ 0 0 30 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.844 102.0 58.8 -49.2 -39.6 16.0 40.6 8.9 157 175 A A H >< S+ 0 0 85 -4,-1.7 3,-0.7 -3,-0.4 -1,-0.3 0.770 98.5 61.7 -65.0 -23.3 15.8 38.9 5.5 158 176 A A G X< S+ 0 0 13 -3,-1.7 3,-2.7 -4,-0.9 4,-0.3 0.636 74.8 94.6 -73.8 -16.8 12.5 37.4 6.6 159 177 A Q G X S+ 0 0 61 -3,-1.4 3,-1.0 -4,-0.5 -1,-0.2 0.695 72.4 66.6 -60.2 -21.4 10.8 40.7 7.1 160 178 A G G < S+ 0 0 67 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.718 89.0 66.9 -65.5 -24.0 9.3 40.6 3.6 161 179 A D G < S+ 0 0 108 -3,-2.7 -1,-0.2 -4,-0.1 2,-0.2 0.569 87.5 93.5 -71.9 -9.2 7.1 37.6 4.6 162 180 A F S < S- 0 0 22 -3,-1.0 -42,-0.1 -4,-0.3 3,-0.1 -0.539 76.4-132.1 -94.8 153.0 5.1 39.8 7.0 163 181 A D S S+ 0 0 75 -44,-0.3 2,-0.3 -2,-0.2 -43,-0.2 0.901 91.3 14.5 -62.7 -45.8 1.9 41.7 6.5 164 182 A K E -d 120 0A 102 -45,-2.5 -43,-2.8 2,-0.0 2,-0.5 -0.965 62.3-149.5-134.6 151.8 3.3 44.9 8.0 165 183 A V E -d 121 0A 59 -2,-0.3 2,-0.6 -45,-0.2 -43,-0.2 -0.976 9.8-166.9-118.3 125.4 6.6 46.3 8.9 166 184 A V E -d 122 0A 2 -45,-3.2 -43,-2.4 -2,-0.5 2,-0.5 -0.963 15.5-142.9-112.6 118.9 6.9 48.6 11.9 167 185 A V E -d 123 0A 31 -2,-0.6 2,-2.1 -45,-0.2 3,-0.4 -0.682 9.4-140.2 -80.2 120.2 10.2 50.5 12.0 168 186 A N + 0 0 15 -45,-4.1 3,-0.1 -2,-0.5 -1,-0.1 -0.384 52.1 138.7 -81.5 62.9 11.3 50.9 15.7 169 187 A R S S+ 0 0 179 -2,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.839 76.9 3.1 -71.0 -33.4 12.7 54.4 15.3 170 188 A R S > S- 0 0 149 -3,-0.4 4,-2.5 1,-0.1 -1,-0.3 -0.984 71.5-124.2-160.3 134.0 11.3 55.7 18.5 171 189 A L H > S+ 0 0 66 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.948 109.8 46.0 -53.1 -54.1 9.4 53.9 21.3 172 190 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.824 114.9 45.8 -62.7 -38.2 6.3 56.2 21.2 173 191 A S H > S+ 0 0 49 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.870 115.0 47.5 -73.5 -37.8 6.0 56.3 17.4 174 192 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.975 114.2 47.4 -63.8 -55.1 6.4 52.5 17.1 175 193 A a H X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.3 -2,-0.2 0.905 110.4 54.6 -45.2 -46.5 3.9 52.1 19.9 176 194 A A H X S+ 0 0 45 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.885 106.1 49.4 -62.4 -41.6 1.6 54.6 18.1 177 195 A E H X S+ 0 0 82 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 110.5 50.8 -65.6 -42.6 1.5 52.7 14.8 178 196 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 107.7 52.8 -61.1 -44.3 0.7 49.5 16.6 179 197 A V H X S+ 0 0 34 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 107.8 51.9 -54.8 -49.6 -2.2 51.1 18.4 180 198 A S H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.3 48.3 -55.9 -38.4 -3.5 52.3 15.1 181 199 A L H >< S+ 0 0 33 -4,-2.0 3,-0.5 3,-0.2 -1,-0.2 0.884 113.6 45.7 -65.1 -43.4 -3.3 48.7 13.8 182 200 A L H 3< S+ 0 0 3 -4,-2.4 2,-0.6 1,-0.2 -178,-0.6 0.860 111.7 49.3 -75.1 -37.8 -5.1 47.2 16.8 183 201 A V T 3< 0 0 80 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.437 360.0 360.0-103.8 61.4 -7.9 49.6 17.1 184 202 A G < 0 0 82 -2,-0.6 -3,-0.2 -3,-0.5 -2,-0.1 0.741 360.0 360.0 56.1 360.0 -9.3 49.8 13.5