==== 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 12-MAY-05 1ZNY . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.HIBLE,P.CHRISTOVA,L.RENAULT,E.SECLAMAN,A.THOMPSON,E.GIRARD . 183 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.6 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 . 19 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 34.4 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 0 1 0 1 0 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 20 A V 0 0 162 0, 0.0 91,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 130.7 15.4 -14.9 42.8 2 21 A G - 0 0 12 89,-2.2 2,-0.2 93,-0.2 93,-0.2 -0.473 360.0-115.6 -79.1 146.9 17.1 -11.5 43.3 3 22 A R - 0 0 122 178,-0.7 94,-2.7 91,-0.2 2,-0.5 -0.539 18.2-144.3 -80.1 146.6 15.1 -8.3 43.2 4 23 A V E -a 97 0A 9 111,-0.3 113,-2.7 -2,-0.2 2,-0.4 -0.983 18.8-171.0-109.7 120.0 15.9 -5.7 40.5 5 24 A V E -ab 98 117A 0 92,-2.6 94,-2.6 -2,-0.5 2,-0.6 -0.957 11.1-156.0-116.1 130.7 15.6 -2.1 41.7 6 25 A V E -ab 99 118A 0 111,-3.5 113,-2.9 -2,-0.4 2,-0.5 -0.929 12.5-161.2-107.8 114.1 15.7 1.0 39.5 7 26 A L E +ab 100 119A 0 92,-2.9 94,-1.7 -2,-0.6 2,-0.2 -0.815 24.8 141.1-102.8 122.2 16.8 4.2 41.2 8 27 A S E + b 0 120A 0 111,-2.5 113,-2.3 -2,-0.5 94,-0.1 -0.715 7.4 142.5-143.2-167.8 16.1 7.6 39.8 9 28 A G - 0 0 2 92,-0.3 94,-0.4 111,-0.2 113,-0.1 -0.963 55.6 -15.7 155.6-173.0 15.1 11.1 40.6 10 29 A P S > S- 0 0 4 0, 0.0 2,-2.7 0, 0.0 3,-1.3 -0.269 73.2-101.0 -60.7 144.8 15.6 14.8 39.8 11 30 A S T 3 S+ 0 0 84 1,-0.3 140,-0.1 2,-0.1 139,-0.0 -0.474 115.8 16.4 -70.3 73.1 18.7 15.6 37.8 12 31 A A T 3 S+ 0 0 62 -2,-2.7 -1,-0.3 139,-0.0 139,-0.0 0.622 76.8 116.3 126.6 41.3 20.6 16.7 41.0 13 32 A V S < S- 0 0 5 -3,-1.3 -2,-0.1 108,-0.1 154,-0.0 0.334 91.3-103.8 -92.5 -0.2 18.9 15.6 44.3 14 33 A G + 0 0 39 -4,-0.3 4,-0.1 -5,-0.0 -3,-0.0 0.900 54.8 167.1 82.4 108.4 22.2 13.6 44.6 15 34 A K > + 0 0 35 2,-0.1 4,-2.5 3,-0.1 3,-0.3 0.656 60.2 77.9-123.8 -28.4 22.6 9.8 44.0 16 35 A S H > S+ 0 0 96 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.798 99.4 53.3 -59.0 -27.0 26.3 8.7 43.8 17 36 A T H > S+ 0 0 83 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.854 109.8 44.9 -64.8 -47.6 26.3 9.0 47.7 18 37 A V H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.942 112.9 51.4 -68.3 -46.4 23.3 6.7 48.2 19 38 A V H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.911 109.1 51.0 -52.4 -49.5 24.6 4.2 45.6 20 39 A R H X S+ 0 0 171 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.943 110.7 48.6 -56.5 -48.2 28.0 4.1 47.5 21 40 A a H X S+ 0 0 11 -4,-2.1 4,-1.5 1,-0.2 3,-0.2 0.897 110.1 52.2 -59.7 -40.3 26.2 3.4 50.8 22 41 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.859 107.4 51.3 -66.0 -36.8 24.1 0.7 49.2 23 42 A R H < S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.2 6,-0.2 0.755 111.3 47.9 -72.5 -28.8 27.2 -1.1 47.8 24 43 A E H < S+ 0 0 130 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.746 113.2 49.1 -76.3 -29.6 28.9 -1.1 51.2 25 44 A R H < S+ 0 0 121 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.831 112.0 45.4 -84.8 -34.1 25.7 -2.4 53.0 26 45 A I S >< S- 0 0 9 -4,-1.9 3,-1.8 -5,-0.1 -1,-0.2 -0.913 75.0-159.0-115.7 100.2 24.9 -5.3 50.6 27 46 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.719 87.9 35.3 -55.4 -31.2 28.2 -7.2 50.0 28 47 A N T 3 S+ 0 0 95 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.084 80.5 143.1-113.1 21.0 27.2 -8.9 46.8 29 48 A L < - 0 0 17 -3,-1.8 2,-0.8 -6,-0.2 68,-0.2 -0.407 45.2-138.2 -62.2 131.8 24.9 -6.3 45.3 30 49 A H E -c 97 0A 58 66,-2.7 68,-2.3 -2,-0.1 2,-0.6 -0.855 10.8-158.0 -97.6 111.9 25.3 -6.1 41.5 31 50 A F E -c 98 0A 53 -2,-0.8 68,-0.2 66,-0.2 66,-0.1 -0.780 33.2-109.7 -87.9 118.4 25.4 -2.6 40.2 32 51 A S - 0 0 13 66,-2.3 2,-0.7 -2,-0.6 68,-0.2 -0.226 25.4-142.5 -55.6 132.0 24.4 -2.7 36.6 33 52 A V - 0 0 22 50,-0.1 50,-0.3 14,-0.1 17,-0.1 -0.890 20.1-139.3-104.3 108.6 27.3 -2.0 34.2 34 53 A S - 0 0 33 -2,-0.7 17,-2.1 15,-0.4 2,-0.3 -0.315 7.7-124.0 -69.7 147.9 26.1 -0.0 31.2 35 54 A A E +eF 51 81B 0 46,-2.6 46,-2.3 15,-0.2 2,-0.3 -0.655 35.0 177.4 -80.8 148.4 27.2 -0.5 27.6 36 55 A T E -eF 52 80B 0 15,-2.0 17,-2.5 -2,-0.3 44,-0.2 -0.980 34.3-146.8-146.3 156.9 28.6 2.5 25.8 37 56 A T S S+ 0 0 24 42,-2.2 43,-0.1 -2,-0.3 2,-0.1 0.399 71.2 98.5-104.2 1.7 30.1 3.3 22.4 38 57 A R S S- 0 0 39 41,-0.4 15,-0.1 1,-0.1 -2,-0.1 -0.381 83.1 -98.9 -73.1 167.3 32.7 5.9 23.6 39 58 A A - 0 0 76 1,-0.1 -1,-0.1 13,-0.1 2,-0.1 -0.554 41.7 -96.2 -82.3 152.9 36.3 4.8 24.1 40 59 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.342 28.5-135.9 -62.6 145.0 37.7 3.9 27.6 41 60 A R > - 0 0 158 1,-0.1 3,-2.3 -2,-0.1 2,-0.0 -0.713 43.2 -84.0 -91.4 148.1 39.6 6.4 29.7 42 61 A P T 3 S+ 0 0 137 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.340 121.2 33.7 -49.2 133.7 42.8 5.1 31.4 43 62 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -3,-0.0 0, 0.0 0.177 91.3 117.2 96.1 -18.1 41.8 3.4 34.6 44 63 A E < - 0 0 39 -3,-2.3 2,-0.5 4,-0.0 -1,-0.3 -0.691 51.9-153.4 -88.8 138.1 38.5 2.1 33.2 45 64 A V >>> - 0 0 86 -2,-0.3 4,-2.2 -3,-0.1 3,-2.1 -0.957 19.5-119.1-115.2 120.0 38.1 -1.7 33.0 46 65 A D B 345S+h 50 0C 102 -2,-0.5 5,-0.2 1,-0.3 0, 0.0 -0.341 103.3 23.5 -50.9 137.0 35.8 -3.3 30.5 47 66 A G T 345S+ 0 0 33 3,-2.3 -1,-0.3 -13,-0.1 4,-0.2 0.213 125.9 54.4 83.9 -14.4 33.1 -5.3 32.3 48 67 A V T <45S+ 0 0 97 -3,-2.1 -2,-0.2 2,-0.5 -1,-0.1 0.743 119.7 19.0-111.8 -61.6 33.5 -3.1 35.5 49 68 A D T <5S- 0 0 76 -4,-2.2 -15,-0.4 1,-0.3 2,-0.3 0.926 136.9 -24.6 -78.8 -47.0 33.1 0.6 34.5 50 69 A Y B < -h 46 0C 68 -5,-0.7 -3,-2.3 -17,-0.1 2,-0.7 -0.929 59.0-110.2-147.9 170.6 31.3 0.0 31.2 51 70 A H E -e 35 0B 56 -17,-2.1 -15,-2.0 -2,-0.3 2,-0.8 -0.969 42.1-146.7-101.5 109.0 31.0 -2.7 28.6 52 71 A F E +e 36 0B 35 -2,-0.7 2,-0.3 -17,-0.2 -15,-0.2 -0.712 30.5 161.0 -88.1 109.9 32.9 -0.9 25.8 53 72 A I - 0 0 45 -17,-2.5 -2,-0.0 -2,-0.8 0, 0.0 -0.802 36.3-107.1-124.8 169.2 31.4 -1.8 22.4 54 73 A D > - 0 0 89 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.574 33.4-105.3-100.3 158.8 31.5 -0.3 18.9 55 74 A P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.854 117.3 52.5 -51.0 -46.2 28.7 1.6 17.1 56 75 A T H > S+ 0 0 103 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.939 111.7 45.1 -52.8 -54.3 27.9 -1.2 14.7 57 76 A R H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.863 109.2 56.8 -61.8 -36.5 27.5 -3.8 17.5 58 77 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 105.0 51.0 -64.0 -39.0 25.4 -1.4 19.6 59 78 A Q H X S+ 0 0 73 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.876 107.5 54.3 -65.9 -36.8 22.9 -1.0 16.8 60 79 A Q H X S+ 0 0 90 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.973 107.6 49.8 -57.7 -53.4 22.7 -4.8 16.6 61 80 A L H <>S+ 0 0 34 -4,-2.4 5,-2.3 1,-0.2 4,-0.4 0.900 109.6 51.6 -53.3 -43.4 21.8 -5.0 20.3 62 81 A I H ><5S+ 0 0 32 -4,-2.1 3,-1.4 1,-0.2 5,-0.2 0.952 111.4 46.4 -55.8 -53.5 19.1 -2.3 19.8 63 82 A D H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.2 53.0 -64.3 -29.8 17.4 -4.2 16.9 64 83 A Q T 3<5S- 0 0 129 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.395 114.1-111.9 -87.6 -0.0 17.5 -7.6 18.7 65 84 A G T < 5S+ 0 0 60 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.844 75.7 133.1 72.8 36.0 15.7 -6.2 21.9 66 85 A E < + 0 0 54 -5,-2.3 18,-2.1 -6,-0.2 2,-0.5 0.360 48.8 75.8-104.2 1.9 18.8 -6.6 24.1 67 86 A L E -G 83 0B 14 -6,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.970 58.7-159.9-113.5 128.9 18.7 -3.2 25.8 68 87 A L E S- 0 0 7 14,-2.2 44,-0.3 -2,-0.5 2,-0.3 0.841 85.8 -14.2 -66.5 -35.9 16.2 -2.4 28.5 69 88 A E E +G 82 0B 20 13,-1.1 13,-2.0 -3,-0.1 -1,-0.3 -0.971 66.8 177.2-160.0 156.6 16.9 1.2 27.7 70 89 A W E -G 81 0B 96 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.976 5.2-169.6-154.5 160.2 19.4 3.3 25.8 71 90 A A E -G 80 0B 37 9,-2.4 9,-1.8 -2,-0.3 2,-0.4 -0.980 30.3-105.0-147.0 163.7 20.1 7.0 24.8 72 91 A E E -G 79 0B 96 -2,-0.3 2,-0.4 7,-0.2 3,-0.4 -0.772 38.2-145.7 -82.9 132.6 22.1 9.3 22.7 73 92 A I E >>S+G 78 0B 46 5,-2.9 4,-1.4 -2,-0.4 5,-1.3 -0.872 73.2 0.3-108.2 136.1 24.7 11.1 24.8 74 93 A H T 45S- 0 0 152 -2,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.923 136.3 -50.8 47.8 53.1 25.8 14.7 24.0 75 94 A G T 45S- 0 0 87 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.726 116.1 -41.2 64.4 25.5 23.4 14.9 21.1 76 95 A G T 45S+ 0 0 39 -3,-0.5 -1,-0.2 2,-0.3 -2,-0.2 0.649 91.5 132.2 94.1 19.3 24.7 11.7 19.6 77 96 A L T <5S- 0 0 134 -4,-1.4 2,-0.3 -3,-0.5 -3,-0.2 0.887 91.8 -28.5 -54.5 -41.0 28.5 11.8 20.0 78 97 A H E < - G 0 73B 20 -5,-1.3 -5,-2.9 -40,-0.0 -2,-0.3 -0.911 68.7-110.1-159.4-173.7 27.9 8.3 21.2 79 98 A R E - G 0 72B 55 -2,-0.3 -42,-2.2 -7,-0.2 -41,-0.4 -0.917 19.9-174.2-129.6 153.7 25.3 6.0 23.0 80 99 A S E +FG 36 71B 21 -9,-1.8 -9,-2.4 -2,-0.3 2,-0.3 -0.976 16.6 150.3-140.8 153.2 25.0 4.4 26.4 81 100 A G E -FG 35 70B 1 -46,-2.3 -46,-2.6 -2,-0.3 2,-0.5 -0.994 43.2 -88.7-171.9 174.1 22.4 1.9 27.8 82 101 A T E - G 0 69B 1 -13,-2.0 -14,-2.2 -2,-0.3 -13,-1.1 -0.848 36.0-139.3 -99.1 125.6 21.4 -0.9 30.1 83 102 A L E > - G 0 67B 28 -2,-0.5 4,-0.8 -50,-0.3 -16,-0.2 -0.678 3.8-148.1 -86.4 135.4 21.8 -4.5 28.8 84 103 A A H > S+ 0 0 8 -18,-2.1 4,-2.2 -2,-0.4 5,-0.2 0.883 85.6 59.4 -68.9 -41.3 19.0 -6.9 29.6 85 104 A Q H > S+ 0 0 124 -19,-0.4 4,-2.8 1,-0.2 5,-0.2 0.884 100.2 49.8 -70.1 -45.8 20.9 -10.2 29.9 86 105 A P H > S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.896 113.6 49.9 -56.5 -39.3 23.4 -9.4 32.7 87 106 A V H X S+ 0 0 0 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.922 112.8 44.8 -66.1 -45.5 20.5 -8.2 34.8 88 107 A R H X S+ 0 0 103 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.888 113.9 50.2 -67.6 -36.2 18.4 -11.2 34.1 89 108 A A H X S+ 0 0 48 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.908 110.4 48.4 -70.1 -43.6 21.3 -13.6 34.8 90 109 A A H <>S+ 0 0 14 -4,-2.2 5,-2.4 -5,-0.2 4,-0.5 0.942 113.1 48.2 -58.4 -51.2 22.3 -12.0 38.1 91 110 A A H ><5S+ 0 0 9 -4,-2.1 -89,-2.2 1,-0.2 3,-1.2 0.897 109.7 51.8 -56.3 -42.4 18.7 -12.1 39.3 92 111 A A H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.749 107.3 54.7 -68.3 -23.4 18.3 -15.8 38.3 93 112 A T T 3<5S- 0 0 114 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.540 123.1-108.8 -80.4 -11.5 21.4 -16.5 40.3 94 113 A G T < 5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.5 -91,-0.2 0.502 74.8 134.4 95.5 4.2 19.8 -14.9 43.3 95 114 A V < - 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d 0 165A 0 -113,-2.3 45,-0.2 -2,-0.5 -108,-0.1 -0.813 25.5-168.6 -90.5 102.4 14.3 9.5 45.5 122 141 A A E - d 0 166A 4 43,-2.2 45,-3.5 -2,-0.9 -113,-0.0 -0.628 21.9-111.8 -93.7 153.5 12.5 12.7 46.5 123 142 A P - 0 0 13 0, 0.0 45,-0.1 0, 0.0 3,-0.1 -0.373 30.0-113.9 -76.0 162.3 13.8 15.7 48.5 124 143 A P S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.741 93.1 -9.9 -72.5 -20.9 12.3 16.3 51.9 125 144 A S > - 0 0 61 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.979 66.2-107.5-162.4 165.6 10.9 19.5 50.6 126 145 A W H > S+ 0 0 66 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.930 118.9 54.3 -57.6 -47.4 10.8 21.9 47.7 127 146 A Q H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.846 105.3 54.0 -61.8 -35.1 12.8 24.5 49.8 128 147 A D H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.961 112.8 42.4 -57.9 -55.9 15.6 21.9 50.5 129 148 A L H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.950 112.9 53.5 -58.3 -50.0 16.0 21.2 46.8 130 149 A Q H X S+ 0 0 60 -4,-3.0 4,-2.0 1,-0.2 5,-0.3 0.891 106.4 52.6 -54.0 -42.2 15.9 24.9 45.9 131 150 A A H X S+ 0 0 63 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.898 109.9 48.6 -62.4 -40.5 18.6 25.8 48.4 132 151 A R H < S+ 0 0 105 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.864 110.5 50.8 -67.2 -34.6 20.9 23.1 46.9 133 152 A L H < S+ 0 0 22 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.785 112.7 45.1 -77.6 -31.9 20.3 24.4 43.3 134 153 A I H >< S+ 0 0 72 -4,-2.0 3,-2.3 -5,-0.2 5,-0.3 0.896 88.8 153.2 -67.0 -43.6 21.1 28.0 44.2 135 154 A G T 3< S- 0 0 49 -4,-2.3 -1,-0.1 -5,-0.3 -2,-0.1 -0.287 72.2 -12.9 54.3-131.3 24.0 26.6 46.0 136 155 A R T 3 S- 0 0 230 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.418 93.1-117.5 -81.2 -3.6 26.9 29.1 46.3 137 156 A G S < S+ 0 0 46 -3,-2.3 -2,-0.1 -4,-0.1 -3,-0.1 0.821 72.2 134.2 71.7 33.7 25.2 31.4 43.7 138 157 A T + 0 0 126 -4,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.383 52.8 80.6 -92.3 -0.1 28.0 31.1 41.1 139 158 A E S S- 0 0 81 -5,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.761 87.3-102.5-105.7 151.8 25.6 30.5 38.2 140 159 A T > - 0 0 93 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.266 32.1-106.5 -67.6 160.7 23.5 33.3 36.4 141 160 A A H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 118.7 54.1 -52.9 -41.9 19.9 34.0 37.0 142 161 A D H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 110.2 46.2 -65.6 -42.1 18.8 32.4 33.7 143 162 A V H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 113.7 47.9 -66.0 -45.4 20.6 29.1 34.5 144 163 A I H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 111.4 50.8 -62.0 -44.1 19.2 28.9 38.0 145 164 A Q H X S+ 0 0 98 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.916 109.4 51.0 -59.6 -46.3 15.7 29.6 36.8 146 165 A R H X S+ 0 0 191 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.874 110.2 49.1 -58.2 -42.6 16.0 26.9 34.2 147 166 A R H X S+ 0 0 111 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.883 111.8 49.3 -65.0 -40.3 17.2 24.4 36.9 148 167 A L H X S+ 0 0 18 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.925 112.3 47.9 -66.5 -40.8 14.2 25.4 39.2 149 168 A D H X S+ 0 0 79 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.893 111.4 51.1 -62.0 -40.9 11.8 25.0 36.3 150 169 A T H X S+ 0 0 48 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.935 108.5 51.2 -64.8 -44.1 13.3 21.6 35.4 151 170 A A H X S+ 0 0 4 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.857 107.6 52.7 -62.5 -40.1 13.0 20.3 39.0 152 171 A R H X S+ 0 0 119 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.926 110.2 47.4 -64.8 -43.6 9.4 21.2 39.3 153 172 A I H < S+ 0 0 124 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.922 114.5 47.0 -58.5 -45.9 8.5 19.3 36.1 154 173 A E H >< S+ 0 0 37 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.910 112.8 48.5 -67.9 -44.6 10.5 16.3 37.2 155 174 A L H >< S+ 0 0 25 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.904 100.6 66.7 -59.8 -41.2 8.9 16.3 40.8 156 175 A A T 3< S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.538 102.6 47.3 -60.0 -10.4 5.4 16.6 39.3 157 176 A A T X + 0 0 27 -3,-1.2 3,-1.0 -4,-0.3 -1,-0.3 -0.014 67.7 113.7-127.5 32.0 5.6 13.1 37.8 158 177 A Q G X + 0 0 65 -3,-1.7 3,-1.2 1,-0.2 -38,-0.1 0.644 65.8 79.0 -68.5 -15.3 7.0 11.0 40.7 159 178 A G G 3 S+ 0 0 67 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.757 76.5 69.9 -64.1 -24.9 3.6 9.3 40.6 160 179 A D G < S+ 0 0 104 -3,-1.0 -1,-0.2 2,-0.0 2,-0.1 0.666 87.5 85.8 -66.6 -15.7 4.6 7.2 37.6 161 180 A F S < S- 0 0 20 -3,-1.2 -42,-0.1 -4,-0.1 3,-0.1 -0.475 78.5-132.0 -89.1 155.4 7.0 5.2 39.9 162 181 A D S S+ 0 0 75 -44,-0.5 2,-0.3 1,-0.2 -43,-0.2 0.833 89.9 22.8 -69.0 -38.6 6.2 2.2 42.1 163 182 A K E -d 119 0A 101 -45,-2.0 -43,-2.8 2,-0.0 2,-0.5 -0.984 59.8-156.1-137.4 142.7 8.0 3.6 45.2 164 183 A V E -d 120 0A 59 -2,-0.3 2,-0.6 -45,-0.2 -43,-0.2 -0.988 9.3-168.9-116.0 119.4 9.0 7.1 46.6 165 184 A V E -d 121 0A 2 -45,-2.3 -43,-2.2 -2,-0.5 2,-0.5 -0.973 16.6-143.4-104.8 120.7 11.8 7.2 49.1 166 185 A V E -d 122 0A 34 -2,-0.6 2,-1.6 -45,-0.2 3,-0.3 -0.751 9.9-138.3 -84.0 123.6 12.1 10.6 50.7 167 186 A N + 0 0 33 -45,-3.5 3,-0.1 -2,-0.5 -1,-0.1 -0.521 50.1 141.4 -86.4 74.8 15.7 11.5 51.2 168 187 A R S S+ 0 0 176 -2,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.693 77.1 1.9 -81.9 -20.7 15.5 13.1 54.7 169 188 A R S > S- 0 0 150 -3,-0.3 4,-2.0 1,-0.1 -1,-0.3 -0.923 72.0-122.0-172.5 129.2 18.7 11.7 56.0 170 189 A L H > S+ 0 0 65 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.899 108.3 51.3 -52.2 -44.6 21.3 9.5 54.3 171 190 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 113.6 41.8 -71.7 -35.4 21.1 6.6 56.7 172 191 A S H > S+ 0 0 56 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.839 114.7 50.4 -79.4 -32.0 17.3 6.2 56.7 173 192 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 113.9 45.6 -67.7 -45.5 17.0 6.6 52.9 174 193 A a H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.916 111.0 54.6 -62.9 -42.8 19.8 4.0 52.4 175 194 A A H X S+ 0 0 45 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.917 106.9 49.9 -56.3 -45.6 18.0 1.8 55.0 176 195 A E H X S+ 0 0 85 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.883 110.3 50.7 -61.4 -39.6 14.7 1.9 53.0 177 196 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.833 106.6 53.9 -66.8 -34.8 16.5 1.0 49.8 178 197 A V H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.883 106.0 53.9 -64.3 -41.2 18.2 -2.0 51.5 179 198 A S H X S+ 0 0 81 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.900 110.4 46.2 -61.4 -43.1 14.8 -3.3 52.6 180 199 A L H < S+ 0 0 39 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.859 114.8 48.1 -62.4 -38.6 13.6 -3.1 48.9 181 200 A L H < S+ 0 0 2 -4,-1.8 -178,-0.7 1,-0.2 -2,-0.2 0.851 130.4 14.3 -77.0 -36.3 16.7 -4.8 47.6 182 201 A V H < 0 0 80 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.173 360.0 360.0-126.1 19.6 16.9 -7.8 50.0 183 202 A G < 0 0 73 -4,-1.1 -3,-0.1 -5,-0.1 -2,-0.1 0.729 360.0 360.0 -82.2 360.0 13.5 -7.9 51.8