==== 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 LIGASE 03-APR-07 2YS7 . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR S.BABA,M.KANAGAWA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI,RI . 413 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 20.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 2 0.5 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 . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 2 1 0 0 1 5 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 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 PARALLEL BRIDGES PER LADDER . 4 4 0 7 0 0 1 1 0 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 . 1 1 1 1 2 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 H 0 0 189 0, 0.0 25,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -39.1 13.4 11.6 51.1 2 1 A M E -a 26 0A 24 23,-2.9 25,-3.8 25,-0.1 26,-2.1 -0.348 360.0-140.9 -73.5 152.2 12.9 14.1 48.2 3 2 A N E -a 28 0A 20 60,-0.3 62,-2.3 24,-0.2 63,-1.4 -0.967 24.6-169.2-112.5 116.8 9.7 16.0 47.5 4 3 A V E -ab 29 66A 0 24,-2.8 26,-2.9 -2,-0.6 2,-0.4 -0.910 9.8-163.8-115.5 138.0 9.1 16.3 43.8 5 4 A L E -ab 30 67A 0 61,-2.7 63,-2.4 -2,-0.4 2,-0.4 -0.965 2.0-163.8-119.2 130.6 6.6 18.4 42.0 6 5 A V E -ab 31 68A 0 24,-2.7 26,-2.5 -2,-0.4 2,-0.5 -0.943 11.7-146.1-112.1 135.4 5.5 17.9 38.3 7 6 A I E +ab 32 69A 0 61,-2.8 63,-2.4 -2,-0.4 2,-0.3 -0.881 54.7 49.9-106.9 124.1 3.7 20.7 36.5 8 7 A G E -a 33 0A 0 24,-2.1 26,-2.7 -2,-0.5 -2,-0.1 -0.876 61.7-123.8 144.9-176.2 1.1 19.8 33.9 9 8 A R + 0 0 119 -2,-0.3 29,-0.1 24,-0.2 -1,-0.1 0.360 68.7 91.2-146.9 1.2 -2.0 17.7 33.3 10 9 A G S > S- 0 0 10 348,-0.1 4,-1.5 1,-0.0 346,-0.2 -0.122 88.9 -87.6 -95.3-168.8 -1.5 15.5 30.2 11 10 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.832 123.2 61.5 -67.5 -34.2 -0.2 12.1 29.4 12 11 A R H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 107.9 44.9 -58.9 -38.6 3.4 13.4 29.2 13 12 A E H > S+ 0 0 1 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.827 108.1 55.0 -75.6 -32.9 3.0 14.4 32.8 14 13 A H H X S+ 0 0 14 -4,-1.5 4,-2.9 342,-0.3 -2,-0.2 0.924 110.6 49.6 -62.5 -41.0 1.5 11.1 33.8 15 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 112.6 44.5 -61.9 -50.0 4.6 9.5 32.2 16 15 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.958 117.2 44.8 -62.2 -49.5 7.0 11.8 34.1 17 16 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.906 111.7 53.0 -61.1 -42.8 5.2 11.3 37.4 18 17 A W H < S+ 0 0 59 -4,-2.9 -1,-0.2 -5,-0.3 4,-0.2 0.903 113.9 43.3 -59.0 -41.1 4.9 7.6 36.9 19 18 A K H >< S+ 0 0 19 -4,-2.2 3,-1.0 -5,-0.2 281,-0.3 0.873 113.7 50.2 -73.0 -39.0 8.6 7.4 36.3 20 19 A A H >< S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 6,-0.3 0.875 100.1 64.2 -67.7 -37.0 9.5 9.7 39.2 21 20 A A T 3< S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.614 98.5 57.6 -62.9 -11.1 7.4 7.7 41.6 22 21 A Q T < S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.495 80.7 108.7 -97.1 -5.7 9.7 4.8 41.0 23 22 A S X - 0 0 6 -3,-2.2 3,-1.5 -4,-0.2 -3,-0.0 -0.558 65.0-145.8 -74.0 129.0 12.8 6.7 42.1 24 23 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.704 99.7 64.3 -67.4 -14.5 14.2 5.5 45.4 25 24 A L T 3 S+ 0 0 48 -24,-0.1 -23,-2.9 -5,-0.1 2,-0.5 0.650 82.4 95.2 -80.5 -17.1 15.1 9.2 46.0 26 25 A V E < +a 2 0A 26 -3,-1.5 -23,-0.2 -6,-0.3 3,-0.1 -0.656 40.5 172.1 -85.5 124.9 11.5 10.3 46.0 27 26 A G E S- 0 0 48 -25,-3.8 2,-0.3 -2,-0.5 -24,-0.2 0.806 75.7 -0.1 -93.3 -39.7 9.8 10.7 49.4 28 27 A K E -a 3 0A 98 -26,-2.1 -24,-2.8 2,-0.0 2,-0.4 -0.987 64.2-152.6-152.7 145.1 6.6 12.2 48.0 29 28 A L E -a 4 0A 13 -2,-0.3 14,-2.4 -26,-0.2 2,-0.3 -0.975 10.8-177.8-126.7 130.7 5.4 13.3 44.6 30 29 A Y E -ac 5 43A 16 -26,-2.9 -24,-2.7 -2,-0.4 2,-0.4 -0.910 7.6-163.6-123.4 150.7 2.9 16.0 43.6 31 30 A V E -ac 6 44A 0 12,-1.7 14,-2.2 -2,-0.3 -24,-0.2 -0.986 21.9-126.0-137.1 124.6 1.5 17.0 40.2 32 31 A A E S-a 7 0A 0 -26,-2.5 -24,-2.1 -2,-0.4 14,-0.1 -0.958 87.3 -19.6-122.4 119.1 -0.3 20.3 39.6 33 32 A P E S+a 8 0A 25 0, 0.0 -24,-0.2 0, 0.0 -1,-0.2 -0.986 93.7 157.7 -90.0 -13.1 -2.9 20.2 38.4 34 33 A G - 0 0 11 -26,-2.7 -2,-0.1 10,-0.1 -20,-0.0 -0.212 37.6-102.9 66.2-159.0 -2.6 16.7 37.0 35 34 A N > - 0 0 12 -25,-0.1 4,-1.7 1,-0.0 3,-0.2 -0.952 32.2 -85.9-156.2 170.3 -5.6 14.5 36.3 36 35 A P T 4 S+ 0 0 39 0, 0.0 4,-0.2 0, 0.0 324,-0.1 0.856 125.8 49.9 -52.1 -40.8 -7.6 11.6 37.7 37 36 A G T >4 S+ 0 0 0 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.916 108.5 53.4 -65.3 -41.6 -5.3 9.0 36.1 38 37 A I G >> S+ 0 0 0 1,-0.3 3,-2.4 -3,-0.2 4,-1.0 0.831 92.5 72.4 -61.6 -34.6 -2.3 10.7 37.4 39 38 A A G 3< S+ 0 0 49 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.605 82.9 72.4 -59.1 -12.1 -3.6 10.6 41.0 40 39 A D G <4 S+ 0 0 126 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.619 113.0 24.1 -77.2 -15.4 -3.0 6.9 41.1 41 40 A V T <4 S+ 0 0 44 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.416 129.5 27.2-128.3 -3.5 0.8 7.5 41.3 42 41 A A S < S- 0 0 13 -4,-1.0 2,-0.4 -14,-0.1 -1,-0.3 -0.994 79.0-101.9-158.3 155.1 0.9 11.0 42.8 43 42 A E E -c 30 0A 123 -14,-2.4 -12,-1.7 -2,-0.3 2,-0.2 -0.673 43.3-128.4 -80.2 128.7 -0.9 13.4 45.0 44 43 A L E -c 31 0A 39 -2,-0.4 2,-0.5 -14,-0.2 -12,-0.2 -0.503 13.8-154.5 -79.2 148.8 -2.7 16.0 43.0 45 44 A V - 0 0 13 -14,-2.2 2,-2.3 -2,-0.2 -15,-0.0 -0.981 14.4-139.1-125.5 112.7 -2.2 19.7 43.7 46 45 A H + 0 0 167 -2,-0.5 2,-0.4 -14,-0.1 -14,-0.1 -0.396 61.0 116.1 -76.5 66.9 -5.1 21.9 42.6 47 46 A I - 0 0 28 -2,-2.3 2,-0.2 8,-0.0 -2,-0.1 -0.976 65.9-113.7-131.6 142.7 -3.2 24.8 41.2 48 47 A D > - 0 0 70 -2,-0.4 3,-1.4 1,-0.1 7,-0.2 -0.511 21.3-121.0 -79.5 146.2 -3.2 25.9 37.6 49 48 A E T 3 S+ 0 0 14 1,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.895 115.0 44.9 -51.0 -47.1 0.0 25.7 35.5 50 49 A L T 3 S+ 0 0 80 1,-0.2 2,-2.8 2,-0.1 -1,-0.3 0.592 85.3 95.9 -76.0 -10.1 -0.0 29.4 34.7 51 50 A D <> + 0 0 72 -3,-1.4 4,-2.1 1,-0.2 3,-0.4 -0.353 50.1 162.1 -76.8 61.2 -0.8 30.3 38.4 52 51 A I H > + 0 0 19 -2,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.817 64.6 56.6 -53.3 -38.2 3.0 30.8 38.9 53 52 A E H > S+ 0 0 96 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.916 110.1 43.2 -64.6 -42.9 2.6 32.8 42.1 54 53 A A H > S+ 0 0 31 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.870 111.7 55.6 -69.8 -35.3 0.6 30.0 43.9 55 54 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.891 105.6 52.3 -63.7 -39.5 3.0 27.4 42.5 56 55 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.957 110.3 46.9 -61.1 -51.1 5.9 29.2 44.1 57 56 A Q H X S+ 0 0 110 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.911 111.2 51.7 -58.0 -45.4 4.3 29.4 47.5 58 57 A F H X S+ 0 0 32 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.962 109.1 50.4 -55.1 -53.7 3.4 25.7 47.4 59 58 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.4 0.883 113.2 47.9 -51.8 -42.5 6.9 24.8 46.5 60 59 A K H ><5S+ 0 0 87 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.977 117.2 37.9 -64.6 -58.9 8.2 26.8 49.4 61 60 A Q H 3<5S+ 0 0 157 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.879 120.1 46.9 -62.7 -40.0 5.8 25.5 52.1 62 61 A Q T 3<5S- 0 0 67 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.476 106.2-128.1 -82.7 -0.6 5.9 21.9 50.9 63 62 A A T < 5 - 0 0 55 -3,-1.0 2,-0.3 -4,-0.4 -60,-0.3 0.907 29.8-164.6 55.8 46.5 9.7 22.0 50.6 64 63 A I < - 0 0 12 -5,-2.2 25,-0.3 -6,-0.2 -1,-0.2 -0.487 10.2-168.0 -64.2 121.7 9.7 20.8 47.0 65 64 A D S S+ 0 0 69 -62,-2.3 2,-0.3 -2,-0.3 -61,-0.2 0.729 72.1 18.3 -83.2 -26.3 13.3 19.8 46.3 66 65 A L E -b 4 0A 0 -63,-1.4 -61,-2.7 22,-0.1 2,-0.4 -0.977 62.0-165.9-150.6 133.9 12.8 19.5 42.6 67 66 A T E -bd 5 90A 1 22,-1.4 24,-3.3 -2,-0.3 2,-0.4 -0.948 5.1-165.9-119.2 140.3 10.2 20.8 40.1 68 67 A I E -bd 6 91A 3 -63,-2.4 -61,-2.8 -2,-0.4 2,-0.4 -0.987 12.8-143.8-129.0 122.0 9.8 19.5 36.5 69 68 A V E -b 7 0A 8 22,-1.5 215,-0.3 -2,-0.4 -61,-0.1 -0.723 15.1-176.7 -90.1 130.1 7.7 21.5 34.0 70 69 A G + 0 0 0 -63,-2.4 -62,-0.2 -2,-0.4 214,-0.2 0.960 59.3 48.0 -86.2 -65.7 5.7 19.5 31.5 71 70 A P S > S- 0 0 22 0, 0.0 4,-0.6 0, 0.0 213,-0.1 -0.257 74.1-124.0 -78.4 164.2 4.0 22.0 29.1 72 71 A E H >> S+ 0 0 62 1,-0.1 4,-2.5 2,-0.1 3,-0.6 0.880 95.6 74.1 -73.2 -41.2 5.4 25.0 27.2 73 72 A A H 3> S+ 0 0 46 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.883 96.9 44.0 -42.1 -62.5 3.0 27.6 28.5 74 73 A P H 34>S+ 0 0 0 0, 0.0 5,-2.8 0, 0.0 -1,-0.3 0.858 114.4 52.4 -56.8 -31.7 4.4 28.1 32.0 75 74 A L H X<5S+ 0 0 1 -3,-0.6 3,-1.4 -4,-0.6 -2,-0.2 0.925 107.8 50.8 -67.2 -42.8 7.9 28.1 30.6 76 75 A A H 3<5S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.811 110.1 50.1 -63.3 -31.8 6.8 30.8 28.1 77 76 A S T 3<5S- 0 0 67 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.465 122.7-111.2 -85.6 -1.8 5.4 32.8 31.1 78 77 A G T <>5 + 0 0 3 -3,-1.4 4,-1.7 -5,-0.2 -3,-0.2 0.877 57.7 159.6 78.2 40.4 8.7 32.2 32.9 79 78 A I H > S+ 0 0 2 13,-0.4 4,-2.5 -6,-0.2 -1,-0.2 0.883 102.9 52.4 -65.7 -40.8 11.6 29.0 35.8 81 80 A D H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.898 111.1 46.6 -64.4 -40.3 12.7 32.6 36.3 82 81 A R H < S+ 0 0 70 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.931 112.9 49.4 -66.9 -46.4 10.4 33.1 39.3 83 82 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-1.6 0.909 109.6 51.1 -59.7 -44.0 11.4 29.8 40.8 84 83 A M H ><5S+ 0 0 108 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.787 104.8 57.3 -65.7 -27.2 15.1 30.5 40.5 85 84 A A T 3<5S+ 0 0 70 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.170 108.9 48.5 -88.0 18.5 14.6 33.9 42.1 86 85 A E T < 5S- 0 0 64 -3,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.134 118.0-107.1-138.5 12.4 13.2 32.0 45.1 87 86 A G T < 5S+ 0 0 70 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.622 72.4 145.2 68.1 12.4 15.9 29.4 45.5 88 87 A L < - 0 0 18 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.739 49.2-130.9 -88.3 123.6 13.6 26.8 44.1 89 88 A R + 0 0 93 -2,-0.5 -22,-1.4 -25,-0.3 2,-0.4 -0.594 34.9 172.7 -75.4 122.1 15.3 24.1 42.0 90 89 A I E -d 67 0A 5 -2,-0.5 2,-0.8 -24,-0.2 -22,-0.2 -0.997 29.9-141.6-137.4 134.5 13.4 23.6 38.7 91 90 A F E +d 68 0A 5 -24,-3.3 -22,-1.5 -2,-0.4 171,-0.1 -0.847 66.3 76.7 -96.0 108.2 14.2 21.6 35.6 92 91 A G S S- 0 0 6 -2,-0.8 2,-0.2 -24,-0.1 170,-0.2 -0.841 80.6 -73.6 165.1 163.0 13.2 23.6 32.6 93 92 A P - 0 0 1 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.483 42.1-112.8 -82.8 148.9 14.3 26.6 30.5 94 93 A S > - 0 0 20 165,-0.4 4,-2.4 -2,-0.2 5,-0.1 -0.083 40.7 -98.3 -63.8 174.5 14.2 30.2 31.4 95 94 A Q T 4 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.891 125.1 50.0 -66.7 -39.1 11.8 32.4 29.5 96 95 A R T >4 S+ 0 0 124 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.878 113.2 45.2 -66.8 -39.1 14.6 33.7 27.2 97 96 A A T >4 S+ 0 0 0 1,-0.2 3,-2.1 162,-0.2 -2,-0.2 0.888 103.7 63.7 -71.2 -39.6 15.8 30.1 26.5 98 97 A A T >X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.3 3,-1.7 0.591 78.8 87.3 -61.6 -9.0 12.2 28.9 25.9 99 98 A L H <> + 0 0 51 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.3 0.721 68.8 78.1 -64.1 -17.4 12.1 31.3 22.9 100 99 A I H <4 S+ 0 0 2 -3,-2.1 180,-0.3 1,-0.2 -1,-0.3 0.830 110.5 24.8 -60.4 -30.6 13.6 28.4 20.9 101 100 A E H <4 S+ 0 0 30 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.2 0.811 117.2 63.1 -98.4 -42.5 10.1 27.0 20.9 102 101 A G H < S+ 0 0 50 -4,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.864 109.0 35.9 -51.4 -45.1 8.1 30.2 21.3 103 102 A S X - 0 0 39 -4,-2.2 4,-2.0 1,-0.1 -1,-0.2 -0.935 55.4-170.7-120.6 115.5 9.2 31.8 18.1 104 103 A K H > S+ 0 0 61 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.863 94.0 56.7 -67.0 -34.3 9.9 29.9 14.9 105 104 A A H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 107.6 48.4 -63.3 -41.0 11.4 33.1 13.3 106 105 A F H > S+ 0 0 13 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.909 109.2 52.0 -66.2 -40.3 13.8 33.2 16.2 107 106 A A H X S+ 0 0 6 -4,-2.0 4,-2.9 -8,-0.2 -2,-0.2 0.934 113.4 44.3 -60.9 -44.2 14.7 29.5 15.8 108 107 A K H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.912 112.7 52.8 -64.9 -43.0 15.4 30.1 12.1 109 108 A E H X S+ 0 0 119 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.959 113.2 43.2 -55.8 -54.0 17.3 33.3 12.9 110 109 A L H X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.933 113.4 50.9 -58.8 -50.7 19.5 31.4 15.4 111 110 A M H <>S+ 0 0 4 -4,-2.9 5,-3.0 -5,-0.2 4,-0.5 0.888 111.3 47.4 -58.2 -41.6 20.0 28.3 13.1 112 111 A K H ><5S+ 0 0 187 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.947 112.8 49.1 -66.1 -45.3 21.1 30.5 10.2 113 112 A K H 3<5S+ 0 0 133 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.887 120.4 35.8 -60.2 -41.1 23.5 32.5 12.3 114 113 A Y T 3<5S- 0 0 78 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.294 112.5-115.3 -97.4 10.1 25.1 29.4 13.8 115 114 A G T < 5 + 0 0 61 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.888 52.7 164.8 60.2 44.1 24.9 27.3 10.7 116 115 A I < - 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