==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-12 4F0C . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR C.DIDIERJEAN,F.FAVIER,T.RORET . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.3 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 . 1 0.4 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 46.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.9 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 1 0 0 0 1 0 2 2 0 0 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 163 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.1 1.5 41.5 29.1 2 3 A H - 0 0 178 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.999 360.0 -99.0-137.8 138.1 2.8 42.2 25.6 3 4 A G - 0 0 62 -2,-0.4 27,-0.1 1,-0.1 2,-0.0 -0.300 43.8-121.0 -54.4 131.2 2.0 40.5 22.3 4 5 A K - 0 0 113 2,-0.1 27,-0.1 1,-0.1 59,-0.1 -0.263 18.9-113.9 -74.9 162.5 4.6 37.9 21.4 5 6 A Q S S+ 0 0 17 58,-0.1 58,-2.6 25,-0.1 59,-0.5 0.912 89.9 31.7 -64.9 -46.4 6.6 38.2 18.2 6 7 A F E -aB 31 62A 0 24,-1.7 26,-2.7 56,-0.2 2,-0.5 -0.854 56.3-150.9-118.3 147.3 5.4 35.1 16.4 7 8 A T E -aB 32 61A 4 54,-2.0 54,-2.5 -2,-0.3 2,-0.6 -0.991 20.8-163.4-105.9 122.3 2.3 33.0 16.2 8 9 A L E -aB 33 60A 0 24,-2.8 26,-2.5 -2,-0.5 2,-0.7 -0.935 9.6-149.2-104.0 116.9 3.3 29.4 15.4 9 10 A F E +aB 34 59A 21 50,-3.0 50,-0.8 -2,-0.6 2,-0.2 -0.785 37.8 159.2 -84.0 118.9 0.5 27.2 14.1 10 11 A N E -a 35 0A 0 24,-2.6 26,-2.2 -2,-0.7 2,-0.3 -0.635 36.0-133.6-129.5-178.9 1.5 23.8 15.4 11 12 A H - 0 0 24 3,-0.3 6,-0.1 24,-0.2 7,-0.1 -0.984 15.4-135.6-142.7 145.9 0.0 20.4 16.2 12 13 A Q S S+ 0 0 29 -2,-0.3 211,-0.2 24,-0.2 -1,-0.1 0.891 101.7 26.2 -68.9 -42.2 0.7 18.3 19.3 13 14 A V S S+ 0 0 61 209,-0.1 -1,-0.1 210,-0.1 210,-0.0 0.896 100.7 86.2 -91.4 -45.1 1.2 14.9 17.5 14 15 A G - 0 0 22 1,-0.1 -3,-0.3 2,-0.0 4,-0.3 -0.281 69.6-141.9 -63.7 140.6 2.4 15.8 14.0 15 16 A P S > S+ 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.854 77.6 77.7 -73.3 -33.5 6.2 16.3 13.8 16 17 A N T >> S+ 0 0 46 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.757 86.8 52.7 -64.4 -37.0 6.7 19.2 11.5 17 18 A G H >> S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 3,-0.6 0.754 96.2 72.8 -65.4 -20.0 5.9 22.3 13.5 18 19 A W H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.2 0.754 85.1 64.8 -71.2 -22.2 8.3 21.2 16.2 19 20 A K H <> S+ 0 0 3 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.3 0.915 107.5 42.5 -57.3 -45.2 11.3 22.0 13.9 20 21 A V H S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.6 0.912 112.4 46.5 -61.9 -41.3 12.6 29.7 18.1 25 26 A R H ><5S+ 0 0 58 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.906 109.8 53.9 -65.5 -43.0 13.6 28.3 21.5 26 27 A E H 3<5S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.6 42.6 -56.9 -40.3 17.3 28.1 20.4 27 28 A L H 3<5S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.500 109.0-123.2 -87.3 -5.5 17.2 31.8 19.4 28 29 A G T <<5 + 0 0 67 -3,-0.8 -3,-0.2 -4,-0.6 2,-0.2 0.761 54.9 159.6 71.6 24.4 15.3 32.9 22.5 29 30 A L < - 0 0 33 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.499 41.5-114.4 -83.9 149.5 12.5 34.4 20.3 30 31 A S + 0 0 48 -2,-0.2 -24,-1.7 -27,-0.1 2,-0.3 -0.644 45.1 156.9 -88.9 137.2 9.0 35.1 21.7 31 32 A F E -a 6 0A 20 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.991 34.9-141.3-158.0 143.1 6.1 33.1 20.3 32 33 A E E -a 7 0A 91 -26,-2.7 -24,-2.8 -2,-0.3 2,-0.5 -0.790 24.9-138.8 -97.5 152.1 2.6 31.9 21.1 33 34 A T E -a 8 0A 45 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.960 14.0-169.2-113.9 127.8 1.6 28.4 19.9 34 35 A V E -a 9 0A 43 -26,-2.5 -24,-2.6 -2,-0.5 2,-0.7 -0.974 14.2-146.5-115.2 115.9 -1.8 27.7 18.4 35 36 A Y E -a 10 0A 68 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.754 12.3-148.0 -83.7 117.4 -2.7 24.1 18.0 36 37 A V - 0 0 1 -26,-2.2 2,-1.0 -2,-0.7 -24,-0.2 -0.682 16.0-129.0 -84.2 130.0 -4.8 23.7 14.9 37 38 A N > > - 0 0 75 -2,-0.4 5,-2.2 1,-0.2 3,-0.8 -0.716 22.4-173.7 -93.3 107.0 -7.3 20.9 15.3 38 39 A L G > 5S+ 0 0 59 -2,-1.0 3,-0.8 1,-0.2 -1,-0.2 0.706 77.3 68.5 -70.4 -20.7 -7.0 18.5 12.3 39 40 A G G 3 5S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.788 104.7 40.2 -71.2 -31.6 -10.0 16.4 13.5 40 41 A Q G < 5S- 0 0 161 -3,-0.8 -1,-0.3 0, 0.0 -2,-0.2 0.239 117.4-117.7 -94.5 8.0 -12.6 19.1 12.8 41 42 A R T X 5 + 0 0 151 -3,-0.8 3,-1.3 1,-0.1 4,-0.2 0.871 61.9 154.7 57.3 39.5 -10.5 19.8 9.7 42 43 A E G > < + 0 0 71 -5,-2.2 3,-1.2 1,-0.3 6,-0.4 0.826 67.5 62.7 -64.8 -31.6 -9.8 23.3 11.1 43 44 A H G 3 S+ 0 0 23 -6,-0.3 -1,-0.3 1,-0.3 9,-0.1 0.639 103.8 47.6 -70.1 -14.9 -6.6 23.3 9.0 44 45 A K G < S+ 0 0 92 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.354 92.0 103.6-105.7 2.2 -8.8 23.1 5.8 45 46 A S S X> S- 0 0 30 -3,-1.2 4,-3.0 -4,-0.2 3,-2.1 -0.520 86.7-109.9 -83.0 153.7 -11.2 25.9 6.8 46 47 A P H 3> S+ 0 0 108 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.811 116.4 67.2 -46.5 -35.2 -11.0 29.4 5.4 47 48 A S H 34 S+ 0 0 63 1,-0.2 -4,-0.1 2,-0.2 -5,-0.1 0.774 115.5 24.2 -65.6 -25.5 -9.7 30.6 8.7 48 49 A F H X> S+ 0 0 5 -3,-2.1 4,-2.1 -6,-0.4 3,-2.0 0.760 114.7 61.8-106.4 -33.2 -6.5 28.6 8.3 49 50 A T H 3< S+ 0 0 45 -4,-3.0 -2,-0.2 1,-0.3 6,-0.1 0.760 92.6 70.2 -65.9 -18.3 -6.2 28.3 4.5 50 51 A K T 3< S+ 0 0 147 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 0.801 108.5 36.1 -63.6 -26.4 -6.0 32.1 4.5 51 52 A Y T <4 S+ 0 0 63 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.810 137.2 16.0 -90.7 -40.3 -2.6 31.5 6.1 52 53 A N >< - 0 0 2 -4,-2.1 3,-2.1 -9,-0.1 -1,-0.3 -0.892 58.8-163.6-137.4 108.3 -1.6 28.4 4.1 53 54 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.787 94.7 63.5 -62.5 -24.1 -3.5 27.5 0.9 54 55 A N T 3 S- 0 0 77 2,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.668 101.8-139.5 -68.7 -20.6 -2.0 24.0 1.2 55 56 A G < + 0 0 0 -3,-2.1 2,-0.3 1,-0.2 -6,-0.1 0.869 59.1 118.2 65.1 37.8 -4.0 23.7 4.6 56 57 A R - 0 0 170 2,-0.1 -1,-0.2 -8,-0.1 16,-0.2 -0.957 59.3 -81.8-131.0 150.8 -1.2 21.9 6.5 57 58 A I S S+ 0 0 25 -2,-0.3 -41,-0.2 -3,-0.1 16,-0.1 -0.714 84.3 58.0 -94.4 154.8 0.8 23.0 9.6 58 59 A P + 0 0 4 0, 0.0 14,-0.9 0, 0.0 2,-0.3 0.429 53.5 156.0 -87.4 166.8 3.1 24.7 10.4 59 60 A A E -BC 9 71A 0 -50,-0.8 -50,-3.0 12,-0.2 2,-0.4 -0.960 24.1-150.5-140.2 155.0 2.6 28.3 9.4 60 61 A L E -BC 8 70A 1 10,-2.5 10,-2.0 -2,-0.3 2,-0.5 -0.985 5.6-160.3-130.0 132.0 4.2 31.3 11.1 61 62 A I E -BC 7 69A 9 -54,-2.5 -54,-2.0 -2,-0.4 2,-1.0 -0.974 9.9-152.1-109.6 127.4 3.0 34.9 11.5 62 63 A D E > > -BC 6 68A 0 6,-3.0 3,-1.6 -2,-0.5 5,-1.1 -0.803 12.1-176.0 -96.5 97.0 5.6 37.5 12.3 63 64 A H T 3 5S+ 0 0 67 -58,-2.6 3,-0.5 -2,-1.0 -1,-0.2 0.721 81.2 56.6 -67.1 -20.0 3.7 40.1 14.2 64 65 A Y T 3 5S+ 0 0 133 -59,-0.5 -1,-0.3 1,-0.2 -58,-0.1 0.357 104.7 54.4 -95.4 4.7 6.8 42.5 14.4 65 66 A Y T X 5S- 0 0 112 -3,-1.6 3,-1.2 -60,-0.2 -1,-0.2 -0.395 133.8 -78.3-130.3 57.0 7.1 42.5 10.6 66 67 A N T 3 5S- 0 0 158 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.833 85.3 -64.0 51.1 40.8 3.6 43.6 9.6 67 68 A D T 3 > S- 0 0 97 -14,-0.9 4,-2.5 -2,-0.2 3,-0.6 0.736 78.0-119.9 70.0 108.6 6.4 25.0 4.8 73 74 A S H 3> S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.852 110.8 47.5 -43.9 -45.2 8.4 24.2 8.0 74 75 A D H 3> S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.825 109.9 51.5 -77.5 -28.8 11.8 24.4 6.3 75 76 A A H <> S+ 0 0 41 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.876 108.1 54.1 -67.8 -37.4 11.0 27.7 4.6 76 77 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.913 105.8 52.7 -57.8 -43.2 10.0 29.0 8.0 77 78 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.925 111.0 46.8 -59.1 -45.0 13.4 27.9 9.4 78 79 A L H X S+ 0 0 43 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.889 110.7 52.5 -62.2 -43.3 15.1 29.8 6.6 79 80 A Y H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.947 110.0 48.7 -57.9 -49.5 13.0 32.9 7.2 80 81 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.917 114.6 43.1 -62.1 -45.7 13.8 32.9 10.9 81 82 A V H X S+ 0 0 5 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.874 111.6 54.2 -72.2 -34.5 17.6 32.6 10.4 82 83 A E H < S+ 0 0 122 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.940 123.7 26.0 -59.9 -43.3 17.7 35.1 7.6 83 84 A K H < S+ 0 0 88 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.753 134.2 28.1 -94.1 -24.2 16.0 37.8 9.6 84 85 A Y H < S+ 0 0 51 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.142 102.5 71.1-134.9 21.4 16.8 36.9 13.2 85 86 A D >< + 0 0 2 -4,-1.2 3,-2.0 1,-0.1 -1,-0.1 -0.482 48.7 153.8-129.1 60.8 20.1 35.1 13.3 86 87 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.741 75.2 51.7 -68.1 -20.6 22.5 38.0 12.5 87 88 A E T 3 S- 0 0 143 -3,-0.1 4,-0.1 5,-0.0 -2,-0.0 0.384 109.0-125.0 -91.9 4.8 25.4 36.3 14.4 88 89 A H < + 0 0 62 -3,-2.0 3,-0.3 -7,-0.2 5,-0.1 0.906 54.4 155.2 52.7 46.9 24.8 33.0 12.4 89 90 A K S S+ 0 0 128 1,-0.2 -1,-0.1 -8,-0.1 76,-0.1 0.763 85.1 14.7 -68.9 -25.4 24.4 30.9 15.6 90 91 A F S S+ 0 0 11 -5,-0.1 77,-1.9 -9,-0.1 2,-0.2 -0.030 130.8 41.4-138.5 27.7 22.4 28.4 13.6 91 92 A S S S- 0 0 5 -3,-0.3 2,-0.3 75,-0.2 7,-0.0 -0.875 75.4-103.8-162.8-173.7 23.1 29.4 10.0 92 93 A V - 0 0 5 -2,-0.2 -4,-0.1 1,-0.1 -3,-0.1 -0.854 4.1-151.4-132.7 161.5 25.9 30.5 7.6 93 94 A S + 0 0 72 -2,-0.3 -1,-0.1 -5,-0.1 2,-0.1 0.835 67.3 77.6-104.5 -37.1 27.1 33.6 5.9 94 95 A T S > S- 0 0 68 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.366 76.9-123.2 -81.0 155.0 28.9 32.7 2.6 95 96 A F H > S+ 0 0 144 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 111.4 53.1 -56.7 -48.8 27.1 31.8 -0.6 96 97 A D H > S+ 0 0 115 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.895 113.6 42.6 -57.0 -42.5 28.8 28.5 -0.9 97 98 A D H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.909 112.3 54.0 -71.1 -42.3 27.7 27.5 2.6 98 99 A K H X S+ 0 0 72 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 107.8 48.8 -58.2 -43.9 24.2 28.9 2.2 99 100 A I H X S+ 0 0 80 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.885 113.0 47.4 -69.3 -33.2 23.4 26.9 -0.9 100 101 A I H X S+ 0 0 64 -4,-1.3 4,-2.4 -5,-0.3 -2,-0.2 0.896 109.8 52.6 -75.1 -36.0 24.7 23.6 0.7 101 102 A M H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.930 111.6 48.5 -59.8 -40.7 22.7 24.3 3.9 102 103 A T H X S+ 0 0 32 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.895 106.9 55.3 -64.5 -42.0 19.7 24.8 1.5 103 104 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.937 108.9 47.2 -54.7 -49.7 20.5 21.5 -0.3 104 105 A W H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.873 110.2 53.3 -63.5 -36.9 20.4 19.6 3.0 105 106 A L H X S+ 0 0 4 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.912 108.6 49.6 -61.8 -42.7 17.1 21.3 3.9 106 107 A F H X S+ 0 0 139 -4,-2.6 4,-2.2 2,-0.2 5,-0.4 0.877 109.3 52.5 -63.7 -35.9 15.7 20.2 0.6 107 108 A F H X>S+ 0 0 44 -4,-2.1 4,-2.3 2,-0.2 5,-0.9 0.934 111.6 46.1 -64.5 -43.5 16.9 16.7 1.3 108 109 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.0 3,-0.2 4,-1.4 0.952 116.1 46.0 -58.9 -50.6 15.2 16.8 4.7 109 110 A A H <5S+ 0 0 35 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 126.7 25.4 -67.2 -31.9 12.0 18.2 3.2 110 111 A S H <5S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.679 132.3 32.8-104.4 -26.0 11.7 15.8 0.2 111 112 A G H <5S+ 0 0 8 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.684 125.9 30.5-113.2 -24.3 13.6 12.7 1.4 112 113 A Q T X S+ 0 0 58 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.918 120.1 38.6 -68.4 -39.2 7.4 12.6 3.2 115 116 A Y H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.895 117.3 48.4 -77.7 -42.5 8.8 9.0 3.4 116 117 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.908 110.7 55.8 -61.5 -38.5 9.0 8.8 7.2 117 118 A G H X S+ 0 0 15 -4,-2.5 4,-2.6 -5,-0.4 -1,-0.2 0.832 102.3 53.2 -61.6 -34.6 5.5 10.2 7.1 118 119 A Q H X S+ 0 0 75 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.912 109.0 50.0 -71.2 -39.4 4.2 7.3 4.9 119 120 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.944 111.7 49.5 -55.7 -47.3 5.7 4.8 7.4 120 121 A G H X>S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-2.4 0.900 111.1 49.7 -57.3 -45.2 3.9 6.8 10.1 121 122 A W H <>S+ 0 0 100 -4,-2.6 5,-1.9 4,-0.2 4,-0.3 0.978 115.5 40.1 -58.2 -60.8 0.6 6.7 8.2 122 123 A F H <5S+ 0 0 47 -4,-2.6 10,-3.1 1,-0.2 -1,-0.2 0.745 126.5 35.0 -67.2 -22.6 0.6 3.0 7.5 123 124 A L H <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.847 134.7 -8.6 -92.9 -40.8 1.9 2.0 11.0 124 125 A A T <5S+ 0 0 28 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.621 121.0 47.6-137.7 -28.8 0.5 4.4 13.5 125 126 A V T > - 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0 0 64 1,-0.2 4,-3.0 -6,-0.1 5,-0.4 -0.937 19.3-154.4-139.4 109.1 19.3 -0.7 17.3 192 193 A F H > S+ 0 0 18 -2,-0.4 4,-2.7 1,-0.2 8,-0.3 0.936 91.1 41.1 -56.2 -56.4 20.0 3.0 16.6 193 194 A E H 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.903 120.8 42.3 -61.6 -42.9 23.5 3.2 18.1 194 195 A K H 4 S+ 0 0 166 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.911 121.7 39.2 -67.8 -42.1 24.7 -0.2 16.8 195 196 A D H < S+ 0 0 75 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.795 134.7 16.1 -83.5 -32.9 23.3 0.2 13.3 196 197 A F X + 0 0 28 -4,-2.7 4,-2.7 -5,-0.4 -1,-0.2 -0.535 68.8 166.3-139.8 70.5 24.0 3.9 12.7 197 198 A P H > S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.825 77.8 47.6 -65.7 -35.7 26.6 5.0 15.3 198 199 A S H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 113.6 47.9 -67.9 -43.6 27.4 8.4 13.6 199 200 A V H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.907 112.3 51.2 -61.5 -39.1 23.8 9.3 13.2 200 201 A H H X S+ 0 0 47 -4,-2.7 4,-2.6 -8,-0.3 -2,-0.2 0.906 108.9 50.5 -63.1 -43.2 23.3 8.3 16.8 201 202 A R H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 115.9 41.6 -57.7 -49.4 26.1 10.5 17.9 202 203 A W H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 115.5 48.5 -67.9 -47.5 24.8 13.5 16.0 203 204 A H H X S+ 0 0 9 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.920 112.4 49.9 -59.6 -42.6 21.1 12.9 17.0 204 205 A T H X S+ 0 0 49 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.904 108.3 51.9 -66.2 -38.9 22.1 12.5 20.6 205 206 A A H X S+ 0 0 42 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.922 112.6 48.0 -62.7 -38.5 24.1 15.7 20.6 206 207 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.949 111.2 46.2 -67.2 -50.3 21.1 17.5 19.1 207 208 A I H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.658 107.2 59.1 -75.5 -11.9 18.4 16.3 21.5 208 209 A T H 3< S+ 0 0 94 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.587 77.4 107.5 -91.6 -8.8 20.5 16.9 24.6 209 210 A R S S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.839 106.9 48.9 -56.5 -41.4 18.6 22.4 26.3 211 212 A A H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.895 116.2 43.2 -64.9 -40.2 16.4 24.3 23.8 212 213 A I H > S+ 0 0 0 -3,-0.4 4,-2.5 -6,-0.3 5,-0.2 0.926 113.6 50.5 -73.5 -42.7 15.8 21.1 21.8 213 214 A A H X S+ 0 0 40 -4,-3.1 4,-2.0 -7,-0.2 -2,-0.2 0.892 111.3 50.3 -56.2 -41.3 15.3 19.0 24.9 214 215 A E H X S+ 0 0 101 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.904 108.8 51.5 -66.4 -41.9 12.8 21.6 26.1 215 216 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 111.0 47.5 -57.0 -46.0 10.9 21.5 22.8 216 217 A L H X S+ 0 0 45 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.883 112.6 49.1 -65.9 -35.4 10.6 17.7 23.0 217 218 A K H X S+ 0 0 136 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.894 109.8 51.8 -71.6 -38.3 9.4 17.9 26.6 218 219 A T H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 109.2 50.6 -64.5 -42.6 6.8 20.6 25.6 219 220 A K H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.925 109.1 50.2 -60.6 -45.9 5.5 18.3 22.8 220 221 A A H X S+ 0 0 60 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.903 113.0 47.0 -61.4 -41.8 5.2 15.3 25.2 221 222 A E H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.899 110.1 52.4 -66.1 -41.5 3.2 17.5 27.6 222 223 A A H X S+ 0 0 14 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.890 110.7 47.9 -63.1 -39.2 1.0 19.0 24.9 223 224 A I H >X S+ 0 0 60 -4,-2.3 3,-1.7 -211,-0.2 4,-0.6 0.984 111.6 49.9 -64.1 -53.5 0.1 15.5 23.7 224 225 A A H >< S+ 0 0 65 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.856 107.2 56.5 -49.0 -42.3 -0.6 14.3 27.3 225 226 A Q H >< S+ 0 0 108 -4,-2.4 3,-1.6 1,-0.2 -1,-0.3 0.683 87.9 75.4 -69.4 -19.6 -2.8 17.4 27.8 226 227 A M H << S+ 0 0 101 -3,-1.7 -1,-0.2 -4,-0.8 -2,-0.2 0.844 100.2 44.7 -59.7 -32.9 -5.1 16.6 24.8 227 228 A N T << 0 0 151 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.210 360.0 360.0 -96.1 13.3 -6.7 13.8 26.9 228 229 A R < 0 0 254 -3,-1.6 -3,-0.1 0, 0.0 -4,-0.0 -0.206 360.0 360.0 -63.8 360.0 -7.0 16.0 30.0