==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-12 4GIK . COMPND 2 MOLECULE: PSEUDOURIDINE-5'-PHOSPHATE GLYCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HUANG,N.MAHANTA,T.P.BEGLEY,S.E.EALICK . 919 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 717 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 5.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.1 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 . 67 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.9 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 5 0 2 1 6 0 6 3 2 5 0 2 0 3 0 0 0 0 0 0 0 0 0 2 1 0 0 RESIDUES PER ALPHA HELIX . 3 2 16 5 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 PARALLEL BRIDGES PER LADDER . 13 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 2 0 0 0 1 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 6 A I 0 0 121 0, 0.0 835,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 174.0 3.5 -7.1 -16.7 2 7 A S >> - 0 0 39 833,-0.2 4,-2.2 1,-0.1 3,-1.3 -0.273 360.0-142.2 -70.7 137.4 2.5 -6.9 -20.4 3 8 A P T 34 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.602 105.3 68.0 -66.1 -14.7 2.4 -9.9 -22.7 4 9 A E T 34 S+ 0 0 70 1,-0.1 3,-0.1 62,-0.0 63,-0.1 0.831 112.7 29.5 -68.2 -37.0 3.8 -7.5 -25.3 5 10 A L T <4 S+ 0 0 17 -3,-1.3 62,-2.9 1,-0.2 2,-0.4 0.778 128.7 28.9 -86.6 -39.0 7.0 -7.5 -23.2 6 11 A L E < -a 67 0A 19 -4,-2.2 2,-0.4 60,-0.2 -1,-0.2 -0.995 60.0-175.6-137.0 126.6 7.1 -10.9 -21.6 7 12 A Q E -a 68 0A 82 60,-3.3 62,-3.3 -2,-0.4 2,-0.5 -0.987 8.3-160.5-129.3 127.8 5.7 -14.2 -22.8 8 13 A I E -a 69 0A 41 -2,-0.4 62,-0.2 60,-0.2 60,-0.0 -0.890 27.2-119.1-105.0 129.6 5.8 -17.5 -20.9 9 14 A S > - 0 0 26 60,-3.2 4,-3.2 -2,-0.5 5,-0.2 -0.252 22.5-113.4 -65.5 155.4 5.3 -20.7 -23.0 10 15 A P H > S+ 0 0 104 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.900 117.6 54.9 -55.0 -44.0 2.3 -23.0 -22.3 11 16 A E H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.940 113.9 41.1 -54.5 -48.4 4.7 -25.8 -21.0 12 17 A V H > S+ 0 0 0 2,-0.2 4,-2.4 57,-0.2 -1,-0.2 0.912 114.1 52.2 -69.2 -40.5 6.2 -23.3 -18.5 13 18 A Q H X S+ 0 0 109 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.930 109.3 49.5 -59.1 -46.8 2.8 -21.8 -17.6 14 19 A D H X S+ 0 0 47 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.906 110.3 52.3 -58.9 -42.4 1.3 -25.2 -16.9 15 20 A A H <>S+ 0 0 1 -4,-1.9 5,-2.7 -5,-0.3 4,-0.4 0.900 110.8 45.7 -61.2 -43.6 4.3 -26.0 -14.7 16 21 A L H <5S+ 0 0 44 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.906 115.0 46.9 -69.9 -40.4 4.0 -22.9 -12.6 17 22 A K H <5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.929 118.0 41.9 -63.2 -45.5 0.2 -23.3 -12.2 18 23 A N T <5S- 0 0 105 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.412 112.2-121.4 -84.7 1.4 0.6 -27.0 -11.3 19 24 A K T 5 + 0 0 113 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.836 55.1 157.1 62.3 36.6 3.6 -26.2 -9.1 20 25 A K < - 0 0 105 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.714 53.1 -94.1 -87.2 144.7 6.0 -28.5 -11.0 21 26 A P - 0 0 19 0, 0.0 35,-3.0 0, 0.0 2,-0.4 -0.389 42.4-158.0 -66.7 131.9 9.7 -27.6 -10.6 22 27 A V E -e 56 0B 10 33,-0.2 2,-0.5 277,-0.2 100,-0.4 -0.860 7.7-160.5-111.4 140.5 11.0 -25.3 -13.3 23 28 A V E -e 57 0B 0 33,-2.9 35,-2.8 -2,-0.4 100,-0.2 -0.978 14.2-144.4-120.4 120.6 14.7 -24.8 -14.4 24 29 A A E -ef 58 123B 0 98,-2.6 100,-2.4 -2,-0.5 2,-0.3 -0.457 14.3-164.6 -78.3 152.3 15.6 -21.7 -16.3 25 30 A L E -ef 59 124B 13 33,-2.2 35,-3.0 98,-0.2 45,-0.2 -0.988 14.0-126.6-136.6 144.8 18.3 -21.7 -19.0 26 31 A E - 0 0 6 98,-0.6 81,-0.1 -2,-0.3 35,-0.1 -0.470 2.6-151.4 -83.8 158.2 20.2 -18.9 -20.8 27 32 A S S >> S+ 0 0 0 79,-0.6 4,-1.5 33,-0.2 3,-0.9 0.541 81.7 80.6-103.8 -8.4 20.5 -18.4 -24.5 28 33 A T H 3>>S+ 0 0 15 78,-2.0 5,-2.1 1,-0.3 4,-1.0 0.838 90.4 56.8 -69.1 -28.4 23.9 -16.7 -24.7 29 34 A I H 345S+ 0 0 29 77,-0.3 5,-0.4 3,-0.2 -1,-0.3 0.716 104.9 54.5 -70.5 -21.1 25.6 -20.1 -24.5 30 35 A I H <45S+ 0 0 3 -3,-0.9 -2,-0.2 3,-0.2 -1,-0.2 0.864 124.0 19.1 -80.2 -38.8 23.5 -21.1 -27.5 31 36 A S H <5S+ 0 0 1 -4,-1.5 53,-0.2 8,-0.1 -2,-0.2 0.913 141.1 16.9 -96.4 -65.3 24.7 -18.2 -29.8 32 37 A H T <5S+ 0 0 27 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.681 119.0 63.4 -83.6 -20.9 27.9 -16.7 -28.5 33 38 A G S - 0 0 58 0, 0.0 4,-0.9 0, 0.0 5,-0.0 -0.539 52.0 -61.9-102.8 168.7 29.3 -23.1 -32.3 36 41 A F T 4 S+ 0 0 127 2,-0.3 45,-0.0 1,-0.3 -5,-0.0 -0.675 114.1 12.7 -89.7 145.7 26.7 -24.7 -34.6 37 42 A P T >>S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 5,-0.5 -0.989 124.5 62.2 -73.4 -15.7 25.3 -27.5 -34.6 38 43 A Q T 45S+ 0 0 75 1,-0.2 4,-0.3 2,-0.2 -2,-0.3 0.627 105.5 51.9 -52.9 -16.8 26.8 -28.0 -31.1 39 44 A N T X5S+ 0 0 3 -4,-0.9 4,-2.4 3,-0.1 -1,-0.2 0.954 113.9 33.9 -82.4 -62.1 24.8 -25.0 -29.9 40 45 A A H >5S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.898 122.2 46.5 -61.0 -45.6 21.2 -25.8 -31.0 41 46 A Q H X5S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.915 114.3 47.6 -67.3 -43.8 21.4 -29.5 -30.5 42 47 A T H ><>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-0.5 0.947 111.9 48.9 -59.3 -48.9 15.9 -31.5 -17.2 51 56 A R H ><5S+ 0 0 79 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.908 108.3 53.8 -54.6 -44.8 12.7 -33.3 -18.4 52 57 A K H 3<5S+ 0 0 173 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.0 56.4 -65.3 -25.1 14.3 -36.7 -17.7 53 58 A Q T <<5S- 0 0 69 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.463 124.4-105.4 -80.9 -2.0 15.1 -35.5 -14.2 54 59 A G T < 5S+ 0 0 54 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.703 85.3 110.1 81.5 21.3 11.4 -34.8 -13.7 55 60 A A < - 0 0 5 -5,-2.3 -1,-0.3 -6,-0.2 -33,-0.2 -0.717 68.3-112.2-115.2 176.1 11.6 -31.0 -13.9 56 61 A V E -e 22 0B 18 -35,-3.0 -33,-2.9 -2,-0.2 2,-0.1 -0.936 25.7-140.8-113.6 118.8 10.5 -28.5 -16.5 57 62 A P E -e 23 0B 2 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.473 14.2-171.8 -72.5 141.5 13.0 -26.6 -18.6 58 63 A A E -e 24 0B 0 -35,-2.8 -33,-2.2 -2,-0.1 2,-0.3 -0.781 7.2-162.1-130.4 103.4 12.5 -22.9 -19.5 59 64 A T E -e 25 0B 2 -2,-0.3 11,-2.6 -35,-0.2 2,-0.4 -0.570 16.1-147.2 -80.2 138.4 15.1 -21.6 -21.9 60 65 A I E +B 69 0A 0 -35,-3.0 46,-0.5 -2,-0.3 2,-0.3 -0.882 32.7 131.0-114.2 137.6 15.1 -17.8 -21.8 61 66 A A E -B 68 0A 0 7,-1.6 7,-3.5 -2,-0.4 2,-0.6 -0.962 54.3-100.1-160.9 177.0 15.7 -15.4 -24.7 62 67 A I E -BC 67 104A 0 42,-2.2 42,-2.5 -2,-0.3 2,-0.5 -0.970 37.8-174.1-109.4 116.8 14.5 -12.3 -26.5 63 68 A I E > -B 66 0A 22 3,-2.6 3,-2.0 -2,-0.6 40,-0.2 -0.959 69.4 -20.8-114.9 120.9 12.6 -13.3 -29.6 64 69 A G T 3 S- 0 0 43 -2,-0.5 38,-0.3 1,-0.3 39,-0.2 0.905 130.6 -47.9 50.5 45.1 11.5 -10.5 -32.0 65 70 A G T 3 S+ 0 0 5 37,-3.1 2,-0.5 1,-0.2 -1,-0.3 0.439 115.7 117.7 78.5 0.6 11.7 -8.0 -29.1 66 71 A V E < - B 0 63A 22 -3,-2.0 -3,-2.6 36,-0.2 2,-0.5 -0.877 66.2-129.7-107.3 128.2 9.8 -10.3 -26.7 67 72 A M E -aB 6 62A 0 -62,-2.9 -60,-3.3 -2,-0.5 2,-0.5 -0.635 35.1-160.0 -69.9 120.2 11.2 -11.6 -23.4 68 73 A K E -aB 7 61A 42 -7,-3.5 -7,-1.6 -2,-0.5 2,-0.7 -0.910 20.5-163.7-113.5 128.4 10.4 -15.3 -23.7 69 74 A V E S+aB 8 60A 0 -62,-3.3 -60,-3.2 -2,-0.5 -9,-0.2 -0.929 78.9 13.1-108.7 105.4 10.3 -17.8 -20.9 70 75 A G S S- 0 0 6 -11,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.356 79.4-141.5 93.1 137.0 10.4 -21.1 -22.6 71 76 A L - 0 0 16 -3,-0.1 -12,-0.2 -62,-0.1 2,-0.1 -0.901 8.0-122.4-133.0 145.7 11.3 -21.6 -26.3 72 77 A S > - 0 0 44 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.464 34.4-110.2 -76.4 159.8 10.2 -23.7 -29.2 73 78 A K H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 121.9 56.7 -54.6 -43.1 12.7 -25.9 -31.0 74 79 A E H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.922 106.9 47.2 -54.9 -48.4 12.3 -23.5 -33.9 75 80 A E H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 110.1 52.6 -63.0 -41.4 13.3 -20.6 -31.8 76 81 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.930 110.5 48.2 -59.1 -45.5 16.3 -22.5 -30.4 77 82 A E H X S+ 0 0 102 -4,-2.7 4,-4.1 2,-0.2 5,-0.3 0.938 107.9 55.1 -60.9 -46.9 17.4 -23.3 -33.9 78 83 A L H X S+ 0 0 82 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.941 110.9 44.5 -49.7 -52.6 17.0 -19.6 -35.0 79 84 A L H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.873 116.4 47.3 -64.1 -35.6 19.3 -18.5 -32.1 80 85 A G H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.910 116.0 43.4 -72.5 -42.6 21.7 -21.3 -33.0 81 86 A R H < S+ 0 0 72 -4,-4.1 -2,-0.2 1,-0.2 3,-0.2 0.969 113.9 48.7 -66.8 -55.1 21.7 -20.5 -36.7 82 87 A E H >< S+ 0 0 27 -4,-3.0 3,-2.4 -5,-0.3 -1,-0.2 0.822 85.5 160.0 -55.4 -33.9 21.9 -16.7 -36.4 83 88 A G G >< + 0 0 9 -4,-1.4 3,-1.6 -5,-0.3 -1,-0.2 -0.191 66.5 9.2 56.9-123.0 24.8 -17.2 -33.9 84 89 A H G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -53,-0.2 4,-0.1 0.523 117.5 75.7 -72.7 -5.2 27.0 -14.1 -33.5 85 90 A N G < S+ 0 0 154 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.3 0.750 81.1 89.4 -70.2 -24.1 24.4 -12.1 -35.5 86 91 A V S < S- 0 0 5 -3,-1.6 2,-0.2 -7,-0.2 18,-0.2 -0.580 90.3-112.9 -77.4 131.7 22.3 -12.3 -32.3 87 92 A T E -d 104 0A 57 16,-1.0 18,-2.5 -2,-0.3 2,-0.5 -0.456 23.1-129.0 -62.6 125.6 22.9 -9.4 -29.8 88 93 A K E -d 105 0A 36 -2,-0.2 2,-0.6 16,-0.2 18,-0.2 -0.698 32.8-152.0 -73.6 124.8 24.5 -10.6 -26.6 89 94 A V E +d 106 0A 0 16,-3.0 18,-2.2 -2,-0.5 21,-0.4 -0.899 26.1 162.9-119.3 111.6 22.2 -9.1 -24.0 90 95 A S >> - 0 0 8 -2,-0.6 4,-1.5 16,-0.2 3,-0.7 -0.423 60.4 -76.4-104.3-173.2 23.1 -8.1 -20.4 91 96 A R T 34 S+ 0 0 44 1,-0.2 3,-0.4 2,-0.2 700,-0.1 0.909 131.1 49.0 -54.2 -49.1 21.1 -5.8 -18.1 92 97 A R T 34 S+ 0 0 24 698,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.763 112.8 48.2 -63.1 -28.6 22.1 -2.6 -19.8 93 98 A D T X> S+ 0 0 14 -3,-0.7 4,-1.5 1,-0.1 3,-1.0 0.714 89.8 85.7 -81.5 -26.9 21.2 -4.0 -23.3 94 99 A L H 3X S+ 0 0 3 -4,-1.5 4,-1.8 -3,-0.4 5,-0.2 0.819 82.4 53.0 -50.9 -48.8 17.8 -5.4 -22.5 95 100 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.834 110.8 48.4 -61.6 -30.2 15.6 -2.3 -22.9 96 101 A F H <> S+ 0 0 14 -3,-1.0 4,-2.0 -4,-0.2 6,-0.2 0.855 107.8 50.4 -82.5 -36.6 16.9 -1.7 -26.5 97 102 A V H <>S+ 0 0 8 -4,-1.5 5,-2.0 2,-0.2 4,-0.3 0.921 114.8 46.5 -66.4 -42.1 16.6 -5.2 -27.9 98 103 A V H ><5S+ 0 0 13 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.939 113.4 47.9 -62.8 -46.6 13.0 -5.3 -26.7 99 104 A A H 3<5S+ 0 0 11 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.7 48.7 -63.7 -34.0 12.1 -1.8 -28.0 100 105 A A T 3<5S- 0 0 58 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.318 108.9-118.4 -95.0 7.0 13.6 -2.5 -31.4 101 106 A G T < 5 + 0 0 44 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.764 65.3 144.0 68.2 28.2 11.9 -5.8 -32.0 102 107 A K < - 0 0 48 -5,-2.0 -37,-3.1 -38,-0.3 2,-0.3 -0.397 52.3-106.8 -97.2 173.0 15.2 -7.7 -32.2 103 108 A N + 0 0 55 -39,-0.2 -16,-1.0 -40,-0.2 2,-0.3 -0.702 38.3 177.8 -93.2 146.6 16.5 -11.1 -31.2 104 109 A G E -Cd 62 87A 0 -42,-2.5 -42,-2.2 -2,-0.3 2,-0.5 -0.995 27.4-138.1-150.9 151.0 18.9 -11.4 -28.3 105 110 A A E - d 0 88A 0 -18,-2.5 -16,-3.0 -2,-0.3 2,-0.3 -0.915 32.8-130.8-109.6 127.4 20.7 -14.1 -26.4 106 111 A T E - d 0 89A 0 -2,-0.5 -78,-2.0 -46,-0.5 -79,-0.6 -0.620 11.4-147.2 -92.6 135.6 20.6 -13.5 -22.6 107 112 A T > - 0 0 8 -18,-2.2 4,-2.8 -2,-0.3 5,-0.2 -0.140 43.6 -86.7 -78.2-176.5 23.6 -13.6 -20.3 108 113 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 130.0 50.5 -61.8 -45.8 23.4 -14.8 -16.7 109 114 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.951 114.8 42.5 -57.1 -51.5 22.4 -11.3 -15.5 110 115 A S H > S+ 0 0 0 -21,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.894 113.6 51.4 -63.7 -43.5 19.7 -11.0 -18.1 111 116 A T H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.916 108.5 51.5 -61.5 -43.4 18.4 -14.5 -17.7 112 117 A M H X S+ 0 0 0 -4,-2.6 4,-3.3 -5,-0.2 5,-0.2 0.956 109.4 51.4 -55.0 -51.3 18.1 -14.0 -13.9 113 118 A I H X S+ 0 0 11 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.927 114.3 41.7 -50.6 -51.6 16.1 -10.9 -14.4 114 119 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.916 113.6 52.6 -70.5 -40.6 13.7 -12.6 -16.8 115 120 A A H >X>S+ 0 0 0 -4,-3.2 5,-2.4 2,-0.2 3,-0.7 0.945 108.8 50.7 -55.0 -52.3 13.4 -15.7 -14.6 116 121 A A H ><5S+ 0 0 37 -4,-3.3 3,-1.6 1,-0.3 -2,-0.2 0.917 105.5 55.5 -54.3 -46.7 12.6 -13.6 -11.6 117 122 A L H 3<5S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.840 111.6 46.0 -52.5 -33.8 9.9 -11.8 -13.5 118 123 A A H <<5S- 0 0 14 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.529 117.4-113.2 -87.7 -6.1 8.5 -15.2 -14.2 119 124 A G T <<5 + 0 0 41 -3,-1.6 2,-0.6 -4,-0.7 -3,-0.2 0.752 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-0.263 60.3-129.4 -66.3 159.0 37.4 -32.8 -16.5 238 243 A M - 0 0 18 -46,-1.6 -44,-0.2 42,-0.0 2,-0.1 -0.851 28.3 -95.5-111.9 146.8 40.5 -31.4 -18.1 239 244 A P > - 0 0 63 0, 0.0 4,-2.3 0, 0.0 5,-0.3 -0.372 32.6-129.3 -60.0 133.7 44.1 -31.6 -16.8 240 245 A E H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 103.7 46.5 -47.1 -63.2 45.1 -28.5 -14.9 241 246 A H H > S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.803 114.0 49.1 -56.5 -33.4 48.4 -27.8 -16.6 242 247 A T H > S+ 0 0 68 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.924 115.8 38.8 -76.1 -45.9 46.9 -28.2 -20.1 243 248 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 114.1 55.0 -73.1 -37.7 43.8 -26.1 -19.7 244 249 A N H X S+ 0 0 68 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.816 107.2 51.9 -64.9 -30.5 45.6 -23.4 -17.7 245 250 A A H X S+ 0 0 58 -4,-1.1 4,-2.3 -5,-0.3 -1,-0.2 0.948 110.1 46.9 -66.9 -50.6 48.2 -23.0 -20.4 246 251 A A H X S+ 0 0 8 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.859 114.7 48.4 -60.8 -38.5 45.6 -22.5 -23.2 247 252 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.906 109.5 50.6 -67.7 -44.6 43.8 -20.0 -21.0 248 253 A D H X S+ 0 0 84 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.916 113.0 47.3 -61.5 -40.7 46.9 -18.0 -20.1 249 254 A Q H X S+ 0 0 89 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.902 111.0 50.4 -67.4 -42.3 47.8 -17.8 -23.8 250 255 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.893 113.0 47.0 -62.1 -41.0 44.3 -16.8 -24.8 251 256 A V H X S+ 0 0 32 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.947 110.6 50.3 -66.3 -49.4 44.3 -14.0 -22.2 252 257 A A H X S+ 0 0 56 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.858 113.3 48.7 -56.5 -36.6 47.7 -12.7 -23.1 253 258 A E H X S+ 0 0 44 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.881 105.8 54.9 -73.4 -41.0 46.6 -12.6 -26.7 254 259 A A H <>S+ 0 0 9 -4,-2.2 5,-2.9 1,-0.2 4,-0.2 0.917 110.9 47.1 -56.7 -43.7 43.3 -10.8 -26.0 255 260 A E H ><5S+ 0 0 161 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.879 110.4 51.1 -66.8 -39.6 45.3 -8.1 -24.2 256 261 A A H 3<5S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 113.9 45.5 -65.3 -31.9 47.8 -7.8 -27.1 257 262 A Q T 3<5S- 0 0 123 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.354 114.0-117.0 -94.1 3.6 45.0 -7.4 -29.5 258 263 A G T < 5 + 0 0 55 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.903 48.2 173.2 61.3 45.0 43.1 -4.9 -27.4 259 264 A V < + 0 0 32 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.738 10.9 155.1 -84.5 129.3 40.0 -7.1 -26.9 260 265 A I > + 0 0 112 -2,-0.5 3,-0.8 4,-0.0 2,-0.1 -0.947 29.2 21.9-149.2 164.9 37.6 -5.4 -24.4 261 266 A G G > S- 0 0 19 -2,-0.3 3,-1.7 1,-0.2 4,-0.3 -0.360 115.1 -18.3 79.3-153.5 34.0 -5.3 -23.3 262 267 A K G 3 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.638 128.9 68.0 -65.7 -17.9 31.4 -7.9 -23.9 263 268 A E G <> S+ 0 0 78 -3,-0.8 4,-2.1 1,-0.2 -1,-0.3 0.620 81.2 82.3 -75.6 -11.4 33.5 -9.4 -26.7 264 269 A S H <> S+ 0 0 8 -3,-1.7 4,-2.4 2,-0.2 5,-0.2 0.959 90.5 41.9 -63.1 -57.8 36.1 -10.6 -24.2 265 270 A T H > S+ 0 0 20 -4,-0.3 4,-2.8 2,-0.2 5,-0.3 0.952 116.0 47.8 -56.5 -54.7 34.5 -13.8 -22.9 266 271 A P H > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.914 113.6 49.9 -53.3 -44.3 33.4 -15.1 -26.3 267 272 A F H X S+ 0 0 57 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.893 113.5 45.5 -57.6 -43.6 36.8 -14.3 -27.8 268 273 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.941 112.4 47.9 -72.0 -47.3 38.6 -16.1 -25.0 269 274 A L H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.891 112.3 51.3 -59.5 -40.5 36.4 -19.3 -25.0 270 275 A A H X S+ 0 0 58 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.886 111.5 46.9 -64.2 -40.4 36.7 -19.5 -28.8 271 276 A R H X S+ 0 0 59 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.881 109.6 53.3 -70.1 -38.6 40.5 -19.3 -28.5 272 277 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 8,-0.3 0.920 107.5 51.7 -62.5 -42.8 40.7 -21.8 -25.8 273 278 A A H <>S+ 0 0 22 -4,-2.2 5,-3.1 2,-0.2 6,-0.4 0.941 111.0 48.5 -57.3 -49.7 38.7 -24.3 -27.9 274 279 A E H ><5S+ 0 0 122 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.977 113.0 46.3 -48.6 -63.6 41.2 -23.7 -30.8 275 280 A L H 3<5S+ 0 0 59 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.756 115.8 45.8 -56.9 -31.3 44.2 -24.2 -28.5 276 281 A T T ><5S- 0 0 19 -4,-2.2 3,-1.5 -5,-0.2 -1,-0.3 0.243 113.1-116.7 -94.2 8.4 42.7 -27.4 -26.9 277 282 A G T < 5S- 0 0 66 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.832 75.8 -48.9 61.7 32.6 41.6 -28.8 -30.3 278 283 A G T 3> S+ 0 0 82 -3,-1.5 4,-2.4 -6,-0.4 5,-0.2 0.886 70.4 55.8 -71.7 -38.2 38.3 -30.3 -26.0 280 285 A S H > S+ 0 0 4 -8,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.877 108.3 51.9 -61.1 -34.5 37.4 -27.4 -23.8 281 286 A L H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 106.3 51.7 -67.6 -46.6 34.2 -27.2 -25.7 282 287 A K H X S+ 0 0 135 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.908 113.2 46.5 -55.7 -39.5 33.5 -30.9 -25.1 283 288 A S H X S+ 0 0 9 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.898 107.6 55.8 -68.8 -42.0 34.0 -30.2 -21.4 284 289 A N H X S+ 0 0 10 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.869 108.4 50.0 -56.4 -40.1 31.8 -27.1 -21.4 285 290 A I H X S+ 0 0 21 -4,-2.2 4,-1.7 2,-0.2 3,-0.2 0.953 111.2 46.9 -65.1 -50.7 29.0 -29.2 -22.8 286 291 A Q H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.890 109.1 53.6 -61.7 -39.5 29.3 -32.0 -20.2 287 292 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.868 106.4 54.7 -65.5 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112.0 50.6 -64.7 -42.6 17.0 -31.6 -8.0 298 303 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.940 111.1 48.6 -62.8 -41.8 17.4 -28.2 -6.3 299 304 A A H X S+ 0 0 4 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.918 111.6 50.1 -64.8 -43.3 14.2 -27.0 -8.1 300 305 A K H X S+ 0 0 95 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.930 114.3 44.1 -52.5 -52.6 12.4 -30.1 -7.0 301 306 A E H X S+ 0 0 36 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.853 116.2 47.1 -68.1 -33.8 13.5 -29.6 -3.4 302 307 A Y H X S+ 0 0 36 -4,-3.0 4,-3.0 -5,-0.2 3,-0.5 0.948 111.5 49.4 -70.7 -47.1 12.7 -25.9 -3.5 303 308 A Q H X S+ 0 0 36 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.841 104.6 60.7 -60.7 -35.7 9.3 -26.4 -5.0 304 309 A R H < S+ 0 0 175 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.896 115.7 32.7 -54.5 -43.5 8.5 -29.0 -2.4 305 310 A L H < S+ 0 0 82 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.875 119.4 52.3 -79.4 -39.2 9.0 -26.3 0.3 306 311 A A H < 0 0 53 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.911 360.0 360.0 -73.6 -50.4 7.8 -23.3 -1.6 307 312 A G < 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 0, 0.0 -0.993 360.0 360.0-167.4 360.0 4.3 -24.1 -3.0 308 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 309 5 B K 0 0 151 0, 0.0 2,-0.2 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0 86.8 6.2 -10.2 9.2 310 6 B I - 0 0 47 116,-0.2 -90,-0.1 1,-0.1 5,-0.1 -0.476 360.0 -98.2 -81.5 141.9 9.0 -12.8 9.8 311 7 B S >> - 0 0 34 -92,-0.2 4,-1.9 -2,-0.2 3,-1.4 -0.300 24.6-130.6 -54.9 134.5 8.3 -16.4 10.9 312 8 B P T 34 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.711 108.4 66.5 -60.0 -19.1 8.8 -16.9 14.7 313 9 B E T 34 S+ 0 0 158 1,-0.2 3,-0.1 62,-0.1 63,-0.1 0.778 110.1 34.8 -68.5 -31.8 11.0 -19.9 13.7 314 10 B L T <4 S+ 0 0 14 -3,-1.4 62,-3.3 1,-0.2 2,-0.4 0.799 124.6 32.2 -86.7 -37.2 13.5 -17.5 12.1 315 11 B L E < -p 376 0H 21 -4,-1.9 2,-0.4 60,-0.2 -1,-0.2 -0.981 57.1-180.0-136.7 124.5 13.4 -14.4 14.4 316 12 B Q E -p 377 0H 85 60,-3.0 62,-2.6 -2,-0.4 2,-0.4 -0.978 9.6-160.8-128.9 125.1 12.7 -14.1 18.1 317 13 B I E -p 378 0H 44 -2,-0.4 62,-0.2 60,-0.2 60,-0.1 -0.869 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