==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 14-APR-11 3RIO . COMPND 2 MOLECULE: PTSGHI OPERON ANTITERMINATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.HIMMEL,C.GROSSE,S.WOLFF,S.BECKER . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 13.1 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 1 0 0 1 0 0 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A G 0 0 73 0, 0.0 42,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-132.9 7.2 8.8 37.3 2 4 A S E -A 42 0A 65 40,-0.2 2,-0.3 38,-0.0 40,-0.2 -0.710 360.0-162.5 -91.8 142.4 10.7 8.2 38.8 3 5 A F E -A 41 0A 3 38,-3.0 38,-2.8 -2,-0.3 2,-0.5 -0.946 9.5-146.8-126.2 145.3 13.5 6.6 36.7 4 6 A T E -AB 40 17A 50 13,-2.2 13,-3.0 -2,-0.3 2,-0.3 -0.955 25.3-120.0-112.9 131.6 16.8 5.0 37.6 5 7 A V E + B 0 16A 1 34,-2.6 33,-3.1 -2,-0.5 11,-0.2 -0.529 32.8 170.7 -72.2 127.9 19.8 5.4 35.3 6 8 A K E S- 0 0 74 9,-3.1 2,-0.3 1,-0.4 31,-0.2 0.795 74.6 -11.2 -96.8 -46.0 21.2 2.0 34.0 7 9 A K E - B 0 15A 108 8,-1.5 8,-3.1 29,-0.1 2,-0.5 -0.978 59.4-132.4-156.6 140.5 23.6 3.7 31.5 8 10 A V E - B 0 14A 41 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.854 18.8-176.4 -94.1 125.0 24.2 7.1 30.1 9 11 A L E - 0 0 56 4,-1.8 2,-0.2 -2,-0.5 5,-0.2 0.856 66.7 -35.4 -87.9 -40.1 24.5 6.9 26.2 10 12 A N E > S- B 0 13A 27 3,-1.6 3,-0.9 60,-0.1 -1,-0.4 -0.875 79.3 -70.9-163.2-175.3 25.3 10.7 25.7 11 13 A N T 3 S+ 0 0 56 -2,-0.2 21,-2.3 1,-0.2 22,-0.9 0.651 133.3 33.4 -62.9 -19.1 24.3 14.1 27.2 12 14 A N T 3 S+ 0 0 14 19,-0.2 16,-2.1 18,-0.2 2,-0.4 0.334 111.3 68.9-116.9 -0.6 20.7 13.8 25.7 13 15 A V E < +BC 10 27A 0 -3,-0.9 -4,-1.8 14,-0.2 -3,-1.6 -0.996 54.1 178.9-133.2 134.8 20.1 10.0 25.9 14 16 A L E -BC 8 26A 0 12,-2.6 12,-3.3 -2,-0.4 2,-0.6 -0.974 25.6-144.8-134.2 142.0 19.6 7.6 28.8 15 17 A I E -BC 7 25A 16 -8,-3.1 -9,-3.1 -2,-0.3 -8,-1.5 -0.931 39.7-179.5-101.4 121.6 18.9 3.9 29.4 16 18 A A E -BC 5 24A 0 8,-2.8 8,-2.8 -2,-0.6 2,-0.4 -0.903 32.8-129.6-127.8 155.2 16.6 3.8 32.5 17 19 A S E +BC 4 23A 22 -13,-3.0 -13,-2.2 -2,-0.3 6,-0.2 -0.805 44.5 150.4 -95.6 137.6 14.8 1.3 34.7 18 20 A H > + 0 0 31 4,-2.6 3,-1.5 -2,-0.4 4,-0.2 -0.335 40.3 12.9-138.9-144.6 11.1 2.2 35.2 19 21 A H G > S- 0 0 135 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 -0.181 129.0 -10.8 -47.6 125.4 7.6 0.5 35.9 20 22 A K G 3 S- 0 0 109 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.767 131.1 -56.0 49.8 36.3 7.8 -3.2 37.0 21 23 A Y G < S+ 0 0 207 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.744 91.3 163.6 65.5 31.3 11.6 -3.3 36.1 22 24 A S < - 0 0 44 -3,-1.6 -4,-2.6 -4,-0.2 2,-0.5 -0.518 34.2-136.0 -75.8 142.6 10.9 -2.2 32.5 23 25 A E E +C 17 0A 81 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.910 31.0 175.6-101.7 126.9 14.0 -0.9 30.7 24 26 A V E -C 16 0A 2 -8,-2.8 -8,-2.8 -2,-0.5 2,-0.5 -0.859 30.4-124.7-125.0 164.6 13.3 2.3 28.6 25 27 A V E -CD 15 52A 0 27,-2.1 27,-2.7 -2,-0.3 2,-0.4 -0.947 25.7-156.1-109.5 127.7 15.3 4.8 26.5 26 28 A L E -CD 14 51A 0 -12,-3.3 -12,-2.6 -2,-0.5 2,-0.4 -0.915 8.8-171.8-107.8 133.9 15.0 8.4 27.6 27 29 A I E +CD 13 50A 2 23,-2.5 23,-2.7 -2,-0.4 2,-0.3 -0.995 26.2 128.0-123.7 129.3 15.6 11.4 25.2 28 30 A G > - 0 0 0 -16,-2.1 2,-0.8 -2,-0.4 3,-0.7 -0.974 63.1 -72.9-172.6 162.6 15.7 15.0 26.5 29 31 A K T 3 S- 0 0 83 18,-3.2 -17,-0.1 -2,-0.3 20,-0.1 -0.584 113.0 -20.4 -73.9 108.7 17.7 18.2 26.5 30 32 A G T > S+ 0 0 30 -2,-0.8 3,-1.0 1,-0.1 -1,-0.2 0.532 92.0 138.8 70.6 12.8 20.7 17.7 28.9 31 33 A I T < S+ 0 0 6 -3,-0.7 -19,-0.2 1,-0.2 -2,-0.1 0.702 73.9 41.8 -55.7 -31.5 19.1 14.7 30.7 32 34 A G T > S+ 0 0 2 -21,-2.3 3,-1.8 -4,-0.3 -1,-0.2 0.510 82.7 124.2 -94.9 -13.1 22.3 12.6 30.7 33 35 A F T < S- 0 0 152 -3,-1.0 3,-0.1 -22,-0.9 -22,-0.0 -0.346 90.3 -7.1 -58.2 124.6 24.8 15.4 31.7 34 36 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.508 105.6 133.7 65.8 9.2 26.8 14.6 34.8 35 37 A K < + 0 0 60 -3,-1.8 2,-0.3 4,-0.0 -1,-0.2 -0.497 30.1 177.8 -88.3 156.2 24.6 11.5 35.4 36 38 A K > - 0 0 74 -2,-0.2 3,-1.7 -3,-0.1 -31,-0.3 -0.928 43.6 -57.4-149.3 165.3 25.9 8.0 36.2 37 39 A Q T 3 S+ 0 0 126 -2,-0.3 -31,-0.2 1,-0.2 3,-0.1 -0.156 119.3 23.3 -49.5 136.9 24.3 4.6 37.0 38 40 A D T 3 S+ 0 0 114 -33,-3.1 -1,-0.2 1,-0.3 -32,-0.1 0.188 83.8 139.7 85.3 -5.8 21.8 4.5 39.9 39 41 A D < - 0 0 52 -3,-1.7 -34,-2.6 -34,-0.1 2,-0.5 -0.381 49.4-134.3 -66.0 137.1 21.0 8.2 39.7 40 42 A V E -A 4 0A 103 -36,-0.2 2,-0.4 -3,-0.1 -36,-0.2 -0.886 26.2-175.6 -98.9 122.9 17.3 8.8 40.3 41 43 A I E -A 3 0A 25 -38,-2.8 -38,-3.0 -2,-0.5 2,-0.3 -0.927 12.3-161.9-121.3 145.6 15.7 11.2 37.9 42 44 A E E -A 2 0A 67 -2,-0.4 2,-0.3 -40,-0.2 -40,-0.2 -0.877 43.9 -87.7-117.3 151.9 12.1 12.7 37.7 43 45 A D - 0 0 87 -42,-0.7 -41,-0.0 -2,-0.3 -2,-0.0 -0.526 33.7-159.5 -64.3 120.0 10.6 14.3 34.6 44 46 A K - 0 0 103 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.0 0.747 18.7-145.4 -69.7 -28.6 11.7 18.0 34.8 45 47 A G S S+ 0 0 53 1,-0.1 3,-0.2 -3,-0.0 -1,-0.1 0.102 87.2 69.5 81.5 -19.2 8.8 18.8 32.4 46 48 A Y S S+ 0 0 183 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.289 81.2 70.6-109.8 4.3 11.0 21.6 30.8 47 49 A D S S- 0 0 10 -19,-0.0 -18,-3.2 -16,-0.0 -16,-0.2 0.145 103.3-114.6-110.0 17.5 13.6 19.4 29.0 48 50 A K - 0 0 48 -20,-0.2 2,-0.2 -3,-0.2 33,-0.1 0.871 46.4-167.4 53.6 47.9 11.3 18.0 26.2 49 51 A M - 0 0 27 -21,-0.1 2,-0.3 -20,-0.1 -21,-0.2 -0.463 12.9-175.1 -73.8 135.5 11.6 14.4 27.5 50 52 A F E -D 27 0A 34 -23,-2.7 -23,-2.5 -2,-0.2 2,-0.4 -0.932 12.7-145.9-126.6 146.1 10.4 11.5 25.4 51 53 A I E -D 26 0A 51 -2,-0.3 2,-0.6 -25,-0.2 -25,-0.2 -0.948 1.6-156.8-114.8 134.3 10.3 7.8 26.5 52 54 A L E +D 25 0A 0 -27,-2.7 -27,-2.1 -2,-0.4 -2,-0.0 -0.971 22.6 163.7-109.4 109.1 11.0 4.8 24.1 53 55 A K + 0 0 119 -2,-0.6 2,-0.3 -29,-0.2 -30,-0.1 0.748 45.1 94.6 -94.5 -35.0 9.2 1.8 25.7 54 56 A D S > S- 0 0 68 1,-0.1 4,-2.3 2,-0.0 3,-0.2 -0.515 70.0-142.0 -69.8 125.0 9.1 -0.6 22.8 55 57 A E H > S+ 0 0 146 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.802 101.1 49.0 -51.9 -42.3 12.1 -3.0 22.7 56 58 A K H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 111.8 49.1 -70.8 -37.1 12.5 -2.8 18.9 57 59 A E H > S+ 0 0 35 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.878 110.9 50.1 -68.5 -40.2 12.4 1.0 18.9 58 60 A Q H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.927 111.0 49.7 -62.0 -47.3 15.0 1.2 21.7 59 61 A K H X S+ 0 0 106 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.907 113.4 46.0 -58.4 -45.9 17.3 -1.2 19.7 60 62 A Q H X S+ 0 0 92 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.857 113.3 48.9 -68.2 -39.0 16.9 0.9 16.5 61 63 A F H X S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.936 111.7 48.2 -66.6 -47.7 17.5 4.2 18.3 62 64 A K H < S+ 0 0 68 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.875 109.8 53.8 -59.8 -38.6 20.7 3.0 20.1 63 65 A K H >< S+ 0 0 74 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.904 104.9 54.0 -63.9 -40.5 22.0 1.6 16.8 64 66 A L H >X S+ 0 0 7 -4,-1.7 4,-2.4 1,-0.3 3,-1.6 0.755 94.2 69.8 -66.5 -21.0 21.6 5.1 15.1 65 67 A L T 3< S+ 0 0 33 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.657 78.6 81.1 -68.8 -13.1 23.7 6.6 18.0 66 68 A D T <4 S+ 0 0 136 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.603 117.9 5.0 -66.4 -12.5 26.6 4.8 16.4 67 69 A Y T <4 S+ 0 0 146 -3,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.560 110.0 85.5-141.4 -30.4 26.8 7.7 13.9 68 70 A V S < S- 0 0 5 -4,-2.4 -1,-0.2 1,-0.1 33,-0.0 -0.713 73.4-135.1 -82.7 119.9 24.3 10.5 14.7 69 71 A D > - 0 0 93 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.195 21.7-103.7 -73.5 166.8 25.9 12.9 17.3 70 72 A E H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.772 119.9 57.4 -60.2 -30.9 24.2 14.3 20.4 71 73 A K H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 109.1 44.6 -65.6 -46.1 23.7 17.7 18.8 72 74 A L H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.811 111.1 54.2 -69.6 -32.7 21.7 16.1 15.9 73 75 A V H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.942 112.3 45.4 -63.2 -44.9 19.8 14.0 18.5 74 76 A D H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.855 110.6 50.9 -68.0 -41.0 18.9 17.3 20.2 75 77 A I H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.948 113.8 46.7 -60.2 -47.4 18.0 19.2 17.0 76 78 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.807 111.0 52.0 -63.6 -33.3 15.6 16.3 16.1 77 79 A N H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.889 107.9 51.6 -70.4 -40.8 14.2 16.2 19.6 78 80 A D H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.885 113.3 44.9 -61.9 -40.3 13.5 19.9 19.4 79 81 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.881 113.5 48.6 -73.4 -38.4 11.6 19.4 16.1 80 82 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.921 110.7 52.0 -66.3 -41.8 9.7 16.3 17.4 81 83 A Y H X S+ 0 0 76 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.915 112.0 46.1 -58.0 -46.0 8.7 18.3 20.5 82 84 A H H X S+ 0 0 45 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.924 112.9 49.6 -60.8 -47.6 7.4 21.1 18.2 83 85 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.955 110.7 50.8 -56.3 -50.9 5.6 18.5 16.0 84 86 A S H X>S+ 0 0 32 -4,-3.3 4,-1.3 1,-0.2 5,-0.9 0.873 115.4 41.9 -52.9 -45.8 4.0 16.9 19.2 85 87 A N H <5S+ 0 0 89 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.832 114.8 50.2 -72.5 -38.0 2.8 20.4 20.4 86 88 A R H <5S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.778 118.3 37.7 -73.6 -27.4 1.6 21.6 16.9 87 89 A T H <5S- 0 0 33 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.667 91.4-148.1 -93.1 -21.6 -0.4 18.4 16.2 88 90 A N T <5 + 0 0 153 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.914 62.1 114.1 48.6 46.8 -1.6 18.1 19.9 89 91 A H S - 0 0 35 73,-2.2 3,-1.7 -2,-0.4 4,-0.3 -0.407 27.3-114.5 -67.6 149.8 4.4 6.9 17.5 93 95 A E T > S+ 0 0 45 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.696 108.4 75.0 -51.8 -30.2 7.8 6.1 19.1 94 96 A H T >> S+ 0 0 60 1,-0.3 4,-2.8 2,-0.2 3,-1.5 0.751 76.4 74.4 -61.2 -25.1 9.3 5.4 15.6 95 97 A I H <>>S+ 0 0 4 -3,-1.7 4,-1.3 1,-0.3 5,-0.6 0.803 91.7 58.5 -55.4 -32.1 9.4 9.2 14.7 96 98 A H H <45S+ 0 0 9 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.759 115.9 34.0 -69.2 -26.5 12.5 9.3 17.1 97 99 A I H <>5S+ 0 0 13 -3,-1.5 4,-1.8 -4,-0.3 -2,-0.2 0.913 125.3 37.9 -91.2 -59.0 14.2 6.7 14.9 98 100 A A H X5S+ 0 0 24 -4,-2.8 4,-2.1 1,-0.2 -3,-0.2 0.916 121.9 41.7 -61.8 -50.1 13.0 7.6 11.3 99 101 A L H X5S+ 0 0 0 -4,-1.3 4,-2.9 -5,-0.3 5,-0.2 0.855 112.6 51.9 -72.4 -36.7 13.0 11.4 11.6 100 102 A T H >S+ 0 0 70 -4,-2.6 5,-2.1 2,-0.2 -1,-0.2 0.919 112.3 43.2 -63.9 -43.8 23.6 16.0 2.3 110 112 A Q H ><5S+ 0 0 63 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.883 111.6 54.1 -68.2 -40.9 23.3 19.8 2.3 111 113 A Q H 3<5S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 108.2 51.4 -62.7 -31.8 26.7 20.2 4.0 112 114 A Q T 3<5S- 0 0 125 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.471 115.9-115.5 -86.1 0.2 28.2 18.0 1.2 113 115 A G T < 5 + 0 0 58 -3,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.603 61.5 151.0 77.9 13.3 26.7 20.2 -1.6 114 116 A F < - 0 0 127 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.691 37.4-144.7 -80.4 105.6 24.4 17.5 -3.0 115 117 A D - 0 0 146 -2,-0.9 2,-0.4 -3,-0.1 -1,-0.0 -0.270 14.7-158.0 -67.7 153.3 21.4 19.3 -4.4 116 118 A M - 0 0 24 2,-0.0 2,-0.4 -6,-0.0 37,-0.4 -0.997 12.3-165.3-138.7 145.1 17.9 17.9 -4.2 117 119 A K - 0 0 171 -2,-0.4 -2,-0.0 36,-0.1 0, 0.0 -0.998 4.1-165.1-129.2 128.5 14.7 18.2 -6.1 118 120 A N > - 0 0 16 -2,-0.4 3,-0.7 1,-0.1 -2,-0.0 -0.974 4.8-168.0-108.7 110.3 11.3 17.0 -4.8 119 121 A P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.687 77.7 59.6 -76.8 -12.0 8.9 17.1 -7.9 120 122 A F T 3> + 0 0 135 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.104 58.5 118.0-109.8 32.9 5.7 16.5 -5.7 121 123 A L H <> S+ 0 0 24 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.845 79.1 52.9 -65.9 -36.8 5.6 19.5 -3.2 122 124 A M H > S+ 0 0 163 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.932 112.8 42.9 -63.7 -47.6 2.3 20.7 -4.7 123 125 A E H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.860 114.0 51.6 -66.0 -37.9 0.6 17.3 -4.3 124 126 A T H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 113.1 44.4 -63.4 -48.5 2.1 16.8 -0.8 125 127 A Q H < S+ 0 0 100 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.842 112.8 52.3 -62.3 -39.0 0.8 20.2 0.4 126 128 A S H < S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 117.8 36.6 -65.3 -44.1 -2.6 19.6 -1.2 127 129 A L H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.753 132.9 26.9 -78.7 -30.8 -3.1 16.2 0.5 128 130 A Y X + 0 0 57 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 -0.466 66.0 156.4-133.1 62.9 -1.4 17.2 3.8 129 131 A P H > S+ 0 0 84 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.819 79.6 44.9 -62.2 -32.5 -1.8 21.0 4.3 130 132 A E H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.924 116.1 44.9 -73.8 -46.5 -1.4 20.9 8.2 131 133 A E H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 113.7 52.3 -64.9 -37.5 1.6 18.5 8.1 132 134 A Y H X S+ 0 0 11 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.885 109.1 48.6 -65.0 -45.5 3.1 20.6 5.3 133 135 A Q H X S+ 0 0 91 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.941 113.5 46.6 -61.2 -48.7 2.8 23.9 7.4 134 136 A I H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.905 110.2 54.8 -59.4 -43.0 4.4 22.2 10.5 135 137 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.850 105.2 52.2 -59.8 -38.7 7.1 20.8 8.2 136 138 A K H X S+ 0 0 48 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.832 112.1 45.8 -63.9 -39.6 7.9 24.4 6.9 137 139 A E H X S+ 0 0 42 -4,-1.5 4,-1.7 -3,-0.3 -2,-0.2 0.841 111.9 52.6 -70.6 -36.1 8.2 25.6 10.6 138 140 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.895 108.3 50.2 -64.6 -43.4 10.4 22.4 11.3 139 141 A I H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 11,-0.2 0.910 108.7 52.1 -62.4 -43.0 12.7 23.4 8.3 140 142 A D H X S+ 0 0 108 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.877 111.4 48.0 -60.0 -39.8 13.1 26.9 9.7 141 143 A M H X S+ 0 0 42 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.932 112.5 46.9 -64.9 -53.4 14.1 25.4 13.1 142 144 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.923 111.3 53.0 -55.0 -47.4 16.6 23.0 11.5 143 145 A N H X>S+ 0 0 32 -4,-2.9 5,-1.5 2,-0.2 4,-1.0 0.879 113.7 41.8 -55.4 -46.9 18.1 25.9 9.4 144 146 A E H <5S+ 0 0 107 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.961 118.2 45.9 -66.8 -51.1 18.6 28.1 12.5 145 147 A K H <5S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.832 123.0 34.0 -61.4 -42.0 20.0 25.2 14.7 146 148 A A H <5S- 0 0 29 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.478 105.1-125.5 -94.8 -4.3 22.4 23.7 12.1 147 149 A G T <5S+ 0 0 68 -4,-1.0 2,-0.2 -3,-0.4 -3,-0.2 0.900 73.4 88.5 61.8 49.2 23.3 27.1 10.5 148 150 A L S - 0 0 26 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.322 30.2-118.0 -59.5 148.9 16.5 22.6 0.1 152 154 A E T > S+ 0 0 136 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.805 108.9 71.7 -55.0 -36.6 12.8 23.3 -0.3 153 155 A G T >> S+ 0 0 6 -37,-0.4 4,-1.0 1,-0.3 3,-0.9 0.743 82.9 71.3 -53.7 -27.1 12.1 19.7 -1.3 154 156 A E H <> S+ 0 0 2 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.705 81.8 70.7 -64.8 -22.4 12.7 18.6 2.3 155 157 A I H <> S+ 0 0 16 -3,-2.1 4,-2.3 -4,-0.2 -1,-0.2 0.889 98.5 51.7 -60.8 -38.7 9.4 20.2 3.4 156 158 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.918 109.9 46.9 -62.7 -48.4 7.6 17.4 1.5 157 159 A F H X S+ 0 0 74 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.889 112.2 49.0 -62.8 -44.2 9.6 14.6 3.2 158 160 A I H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 3,-0.2 0.932 109.6 53.6 -62.4 -45.3 9.1 16.0 6.7 159 161 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.876 108.6 49.0 -55.0 -46.1 5.3 16.3 6.0 160 162 A L H X S+ 0 0 75 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.821 109.7 50.7 -65.4 -35.1 5.1 12.6 5.0 161 163 A H H X S+ 0 0 51 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.853 109.2 53.4 -67.3 -36.4 7.0 11.5 8.2 162 164 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.924 107.8 49.6 -65.2 -41.7 4.5 13.7 10.2 163 165 A H H X S+ 0 0 55 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.933 112.5 48.2 -60.6 -48.0 1.6 11.8 8.6 164 166 A S H X S+ 0 0 60 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.848 110.3 50.0 -59.7 -41.5 3.3 8.4 9.4 165 167 A A H < S+ 0 0 1 -4,-2.2 -73,-2.2 1,-0.2 -1,-0.2 0.816 112.2 48.8 -68.8 -32.5 3.9 9.3 13.1 166 168 A L H < S+ 0 0 31 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.654 126.8 25.7 -77.6 -22.9 0.3 10.5 13.5 167 169 A T H < 0 0 80 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.2 0.645 360.0 360.0-117.0 -24.5 -1.1 7.2 11.9 168 170 A N < 0 0 142 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.690 360.0 360.0 79.8 360.0 1.5 4.4 12.4