==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-APR-09 3GX0 . COMPND 2 MOLECULE: GST-LIKE PROTEIN YFCG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.E.LADNER,J.M.HARP,M.C.WADINGTON,R.N.ARMSTRONG . 204 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.9 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 0.5 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 . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 44.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 1 0 0 1 1 1 2 0 0 1 0 0 0 0 0 0 0 1 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 1 A M 0 0 75 0, 0.0 57,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 120.3 4.4 29.6 43.2 2 2 A I E -aB 26 57A 4 23,-2.0 25,-2.0 55,-0.2 2,-0.6 -0.878 360.0-150.2 -99.1 125.8 7.7 30.6 44.8 3 3 A D E -aB 27 56A 12 53,-3.2 53,-2.1 -2,-0.5 2,-0.6 -0.881 14.7-157.3 -88.6 126.4 8.6 34.3 45.1 4 4 A L E -aB 28 55A 0 23,-2.9 25,-2.9 -2,-0.6 2,-0.6 -0.911 8.7-147.9-104.8 116.6 12.4 34.6 44.9 5 5 A Y E +aB 29 54A 37 49,-3.3 49,-1.1 -2,-0.6 2,-0.3 -0.762 41.0 176.9 -81.2 120.0 13.9 37.8 46.4 6 6 A F E +a 30 0A 12 23,-1.6 25,-2.4 -2,-0.6 -2,-0.0 -0.932 40.2 179.0-144.2 139.3 16.9 38.2 44.1 7 7 A A - 0 0 5 -2,-0.3 2,-1.0 23,-0.2 5,-0.3 -0.969 52.5 -98.5-133.4 150.9 20.0 40.1 43.0 8 8 A P S S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.546 81.0 117.4 -76.1 100.8 22.2 38.9 40.2 9 9 A T S > S- 0 0 41 -2,-1.0 4,-2.5 1,-0.1 5,-0.1 -0.904 81.5 -95.5-152.3 168.5 24.9 37.3 42.4 10 10 A P H > S+ 0 0 26 0, 0.0 4,-1.0 0, 0.0 159,-0.1 0.908 124.6 48.9 -57.8 -42.8 26.3 33.8 42.9 11 11 A N H > S+ 0 0 49 2,-0.2 4,-0.6 1,-0.2 3,-0.1 0.834 111.9 47.2 -70.4 -37.0 24.0 33.3 45.9 12 12 A G H >> S+ 0 0 0 -5,-0.3 4,-1.3 1,-0.2 3,-1.0 0.903 108.3 57.1 -66.8 -44.0 20.9 34.5 44.0 13 13 A H H 3X S+ 0 0 54 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.701 92.7 69.0 -63.0 -22.5 21.9 32.2 41.1 14 14 A K H 3X S+ 0 0 3 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.909 103.2 44.9 -58.6 -39.5 21.9 29.1 43.3 15 15 A I H S+ 0 0 1 -4,-2.8 5,-2.2 2,-0.2 4,-0.8 0.886 113.4 44.7 -62.2 -42.4 14.1 26.3 40.5 20 20 A E H ><5S+ 0 0 48 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.2 0.936 115.2 48.6 -65.2 -47.4 14.7 25.7 36.8 21 21 A E H 3<5S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.895 115.0 44.0 -59.9 -42.4 16.1 22.2 37.4 22 22 A A H 3<5S- 0 0 12 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.581 106.3-127.3 -80.0 -11.5 13.2 21.3 39.7 23 23 A E T <<5 + 0 0 173 -4,-0.8 2,-0.4 -3,-0.6 -3,-0.2 0.893 50.8 161.7 63.8 44.7 10.6 22.8 37.2 24 24 A L < - 0 0 44 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.2 -0.778 44.0-114.0 -96.5 136.4 9.0 24.8 39.9 25 25 A D + 0 0 116 -2,-0.4 -23,-2.0 -22,-0.0 2,-0.3 -0.505 53.2 149.7 -61.0 132.9 6.8 27.8 39.2 26 26 A Y E -a 2 0A 55 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.985 34.5-147.9-156.9 158.3 8.4 31.1 40.5 27 27 A R E -a 3 0A 129 -25,-2.0 -23,-2.9 -2,-0.3 2,-0.6 -0.939 24.0-121.2-122.4 158.2 8.8 34.8 39.9 28 28 A L E -a 4 0A 70 -2,-0.3 2,-0.7 -25,-0.2 -23,-0.2 -0.864 16.7-167.0 -95.9 120.5 11.7 37.1 40.6 29 29 A I E -a 5 0A 59 -25,-2.9 -23,-1.6 -2,-0.6 -2,-0.0 -0.883 25.4-136.1-103.5 97.0 11.3 40.0 43.0 30 30 A K E -a 6 0A 144 -2,-0.7 2,-0.5 -25,-0.2 -23,-0.2 -0.242 14.6-159.8 -50.2 126.9 14.4 42.2 42.4 31 31 A V - 0 0 17 -25,-2.4 2,-0.9 7,-0.0 5,-0.1 -0.971 13.5-139.2-111.3 125.9 16.0 43.5 45.6 32 32 A D > + 0 0 71 -2,-0.5 5,-3.4 1,-0.2 3,-0.4 -0.766 22.3 179.3 -93.7 105.6 18.3 46.6 45.0 33 33 A L T > 5S+ 0 0 61 -2,-0.9 3,-0.8 1,-0.2 -1,-0.2 0.764 78.0 55.0 -85.0 -27.9 21.3 46.1 47.1 34 34 A G T 3 5S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.619 112.8 46.4 -73.4 -14.8 23.2 49.3 46.1 35 35 A K T 3 5S- 0 0 167 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.2 0.138 120.9-105.5-116.2 18.5 20.1 51.2 47.2 36 36 A G T X 5 + 0 0 25 -3,-0.8 3,-2.1 1,-0.1 4,-0.3 0.702 66.0 150.4 67.8 23.4 19.6 49.4 50.5 37 37 A G G > < + 0 0 5 -5,-3.4 3,-1.3 1,-0.3 -4,-0.2 0.793 67.8 66.0 -46.9 -31.3 16.6 47.3 49.3 38 38 A Q G 3 S+ 0 0 28 -6,-0.3 -1,-0.3 1,-0.3 12,-0.1 0.514 96.8 54.1 -78.8 -7.2 17.7 44.6 51.9 39 39 A F G < S+ 0 0 112 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.402 73.9 122.9-104.2 -1.4 17.0 47.0 54.8 40 40 A R S X> S- 0 0 173 -3,-1.3 3,-2.3 -4,-0.3 4,-2.1 -0.438 70.1-126.6 -57.7 127.8 13.3 47.6 53.7 41 41 A P H 3> S+ 0 0 80 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.814 107.2 52.7 -54.1 -37.3 11.3 46.5 56.8 42 42 A E H 34 S+ 0 0 138 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.475 110.7 48.1 -80.1 -6.6 9.0 44.2 54.9 43 43 A F H X> S+ 0 0 9 -3,-2.3 4,-3.4 2,-0.1 3,-0.5 0.772 106.8 55.9 -89.9 -38.5 12.0 42.5 53.4 44 44 A L H 3< S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.3 6,-0.1 0.685 102.2 57.2 -65.7 -22.4 13.6 42.2 56.9 45 45 A R T 3< S+ 0 0 202 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.1 0.833 115.0 37.3 -74.4 -33.8 10.5 40.4 58.0 46 46 A I T <4 S+ 0 0 26 -3,-0.5 -2,-0.2 -4,-0.2 9,-0.2 0.899 137.3 19.7 -78.0 -40.8 11.2 37.8 55.2 47 47 A S >< - 0 0 0 -4,-3.4 3,-1.5 1,-0.1 -1,-0.2 -0.784 65.7-179.7-140.0 82.3 15.0 37.9 55.6 48 48 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.602 79.6 66.9 -63.6 -20.5 16.1 39.2 59.0 49 49 A N T 3 S- 0 0 64 2,-0.1 3,-0.1 1,-0.0 -5,-0.1 0.257 110.7-118.9 -81.5 8.6 19.8 38.8 58.2 50 50 A N S < S+ 0 0 58 -3,-1.5 2,-0.3 1,-0.2 -12,-0.1 0.780 72.7 116.2 53.7 36.3 19.4 41.6 55.5 51 51 A K - 0 0 119 -4,-0.2 -1,-0.2 2,-0.1 20,-0.2 -0.938 55.3-101.4-132.1 155.6 20.4 39.3 52.6 52 52 A I S S+ 0 0 16 -2,-0.3 -46,-0.1 -3,-0.1 2,-0.1 -0.801 79.5 64.3-103.2 157.7 19.2 37.7 49.4 53 53 A P + 0 0 5 0, 0.0 18,-1.1 0, 0.0 2,-0.3 0.523 62.2 148.0 -75.9 157.6 18.2 35.2 48.4 54 54 A A E -BC 5 70A 0 -49,-1.1 -49,-3.3 16,-0.2 2,-0.3 -0.954 25.9-155.6-142.3 153.0 15.0 34.7 50.3 55 55 A I E -BC 4 69A 0 14,-2.6 14,-2.0 -2,-0.3 2,-0.5 -0.906 13.3-153.3-124.6 155.8 11.9 33.0 49.1 56 56 A V E -BC 3 68A 11 -53,-2.1 -53,-3.2 -2,-0.3 2,-0.7 -0.974 16.7-154.8-121.5 116.9 8.2 33.2 50.0 57 57 A D E -BC 2 67A 1 10,-3.6 10,-2.4 -2,-0.5 -55,-0.2 -0.834 7.0-169.3 -90.4 110.7 6.6 29.8 49.2 58 58 A H S S+ 0 0 76 -57,-2.4 -1,-0.1 -2,-0.7 -56,-0.1 0.654 81.4 44.5 -79.9 -14.4 2.9 30.6 48.6 59 59 A S S S- 0 0 70 -58,-0.3 -1,-0.3 8,-0.1 6,-0.1 -0.570 75.2-177.5-126.5 69.9 1.9 26.9 48.6 60 60 A P > - 0 0 7 0, 0.0 3,-3.2 0, 0.0 4,-0.2 -0.394 40.1-112.5 -67.7 144.8 3.7 25.3 51.5 61 61 A A T 3 S+ 0 0 94 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.612 116.7 61.0 -55.1 -18.0 3.0 21.5 51.7 62 62 A D T 3 S- 0 0 129 3,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.467 108.0-126.2 -84.2 -2.6 1.0 22.0 54.9 63 63 A G < + 0 0 68 -3,-3.2 -2,-0.1 1,-0.1 -5,-0.0 0.722 67.7 125.7 62.8 22.3 -1.5 24.2 53.0 64 64 A G - 0 0 42 1,-0.3 -1,-0.1 -4,-0.2 3,-0.1 0.032 68.7 -46.7 -87.5-157.1 -1.0 27.1 55.5 65 65 A E S S- 0 0 166 1,-0.2 -1,-0.3 -6,-0.1 -3,-0.1 -0.167 83.2 -68.8 -62.9 164.1 -0.1 30.7 55.1 66 66 A P - 0 0 66 0, 0.0 2,-0.5 0, 0.0 -8,-0.2 -0.194 51.5-134.7 -56.5 152.9 2.9 31.5 52.9 67 67 A L E -C 57 0A 55 -10,-2.4 -10,-3.6 -3,-0.1 2,-0.4 -0.947 12.9-155.9-120.0 129.3 6.3 30.5 54.2 68 68 A S E +C 56 0A 53 -2,-0.5 2,-0.3 -12,-0.3 -12,-0.2 -0.790 14.7 174.7 -96.0 140.6 9.3 32.6 54.2 69 69 A L E -C 55 0A 46 -14,-2.0 -14,-2.6 -2,-0.4 2,-0.2 -0.993 8.8-169.3-142.1 142.8 12.9 31.3 54.2 70 70 A F E +C 54 0A 69 -2,-0.3 -16,-0.2 -16,-0.2 4,-0.2 -0.749 49.1 70.2-119.0 176.5 16.3 33.0 53.9 71 71 A E S >> S- 0 0 83 -18,-1.1 4,-2.4 -2,-0.2 3,-0.8 0.781 70.5-124.9 78.6 110.8 19.9 31.5 53.5 72 72 A S H 3> S+ 0 0 8 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.849 110.0 53.2 -51.9 -39.8 20.6 29.9 50.1 73 73 A G H 3> S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.862 111.2 44.3 -65.4 -41.4 21.6 26.6 51.8 74 74 A A H <> S+ 0 0 42 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.792 112.8 53.1 -75.9 -29.5 18.4 26.3 53.7 75 75 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.954 111.1 45.5 -66.5 -49.3 16.4 27.3 50.6 76 76 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 -5,-0.2 5,-0.2 0.921 115.9 46.6 -58.1 -46.6 18.0 24.6 48.6 77 77 A L H X S+ 0 0 43 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.935 113.4 48.1 -61.5 -46.8 17.5 22.0 51.4 78 78 A Y H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.926 115.8 45.1 -59.9 -46.2 13.9 23.0 51.9 79 79 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 6,-0.4 0.896 111.6 51.2 -68.4 -41.2 13.3 22.9 48.2 80 80 A A H X S+ 0 0 1 -4,-3.2 4,-1.9 -5,-0.2 5,-0.3 0.897 114.3 45.5 -57.2 -43.7 15.1 19.5 47.8 81 81 A E H < S+ 0 0 112 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.882 113.8 48.7 -63.4 -38.1 13.0 18.1 50.6 82 82 A K H < S+ 0 0 73 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.900 122.3 32.1 -73.2 -38.4 9.8 19.6 49.2 83 83 A T H < S- 0 0 42 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.671 96.6-129.5 -88.3 -22.0 10.3 18.3 45.7 84 84 A G S < S+ 0 0 37 -4,-1.9 2,-0.3 1,-0.3 3,-0.2 0.494 70.0 123.0 72.9 9.5 12.2 15.1 46.4 85 85 A L + 0 0 75 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.803 60.5 8.7-111.8 146.7 14.8 16.2 43.9 86 86 A F S S+ 0 0 42 -2,-0.3 75,-2.8 73,-0.2 2,-0.3 0.578 109.7 76.7 66.9 19.2 18.5 16.9 44.0 87 87 A L S S- 0 0 6 -7,-0.2 7,-0.1 -3,-0.2 73,-0.1 -0.831 80.1-128.4-154.7 115.9 19.1 15.5 47.4 88 88 A S - 0 0 24 -2,-0.3 -3,-0.1 5,-0.1 -4,-0.0 -0.126 5.2-150.7 -58.3 149.5 19.1 11.7 47.9 89 89 A H S S+ 0 0 133 -5,-0.1 2,-0.5 5,-0.0 -1,-0.1 0.440 71.8 102.3 -99.8 -4.3 17.1 9.8 50.5 90 90 A E S > S- 0 0 97 1,-0.1 4,-2.9 2,-0.0 5,-0.3 -0.696 79.7-127.4 -81.3 128.6 19.7 7.1 50.7 91 91 A T H > S+ 0 0 110 -2,-0.5 4,-1.9 1,-0.2 5,-0.1 0.763 99.3 40.9 -44.6 -45.2 21.7 7.7 53.9 92 92 A R H > S+ 0 0 203 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 118.8 42.6 -77.0 -50.7 25.3 7.8 52.6 93 93 A E H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.889 115.6 52.8 -60.2 -39.3 24.8 9.8 49.4 94 94 A R H X S+ 0 0 65 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.955 110.7 46.2 -60.2 -50.5 22.5 12.2 51.4 95 95 A A H X S+ 0 0 56 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.902 113.0 49.3 -58.1 -46.9 25.2 12.7 54.0 96 96 A A H X S+ 0 0 20 -4,-2.4 4,-1.8 59,-0.2 -1,-0.2 0.925 111.5 50.1 -62.3 -43.9 27.9 13.3 51.4 97 97 A T H X S+ 0 0 0 -4,-2.6 4,-2.0 58,-0.4 -2,-0.2 0.912 112.8 45.7 -54.8 -46.8 25.6 15.7 49.6 98 98 A L H X S+ 0 0 34 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.933 107.8 57.5 -69.9 -45.4 24.9 17.7 52.8 99 99 A Q H X S+ 0 0 126 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.884 111.6 40.9 -43.2 -53.5 28.6 17.7 53.8 100 100 A W H X S+ 0 0 29 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.807 112.7 56.2 -72.7 -31.6 29.6 19.5 50.5 101 101 A L H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 3,-0.3 0.983 112.1 40.9 -62.2 -55.4 26.6 21.7 50.7 102 102 A F H X S+ 0 0 137 -4,-3.3 4,-3.3 1,-0.2 5,-0.4 0.914 111.9 58.4 -58.2 -37.9 27.6 22.9 54.2 103 103 A W H X>S+ 0 0 46 -4,-2.3 4,-1.8 -5,-0.3 5,-1.3 0.906 108.5 44.7 -55.9 -45.1 31.2 23.0 52.9 104 104 A Q H <>S+ 0 0 1 -4,-2.1 5,-2.7 -3,-0.3 -1,-0.2 0.886 116.6 46.5 -63.6 -42.7 30.2 25.5 50.2 105 105 A V H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 122.6 33.6 -73.9 -37.7 28.1 27.6 52.7 106 106 A G H <5S+ 0 0 56 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.684 137.4 10.0 -89.5 -23.5 30.8 27.7 55.4 107 107 A G T X5S+ 0 0 12 -4,-1.8 4,-2.8 -5,-0.4 5,-0.4 0.717 121.5 45.6-123.9 -71.9 34.0 27.8 53.2 108 108 A L H > S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.930 118.7 44.8 -56.7 -45.0 32.4 33.2 52.6 111 111 A M H X S+ 0 0 49 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.891 114.3 45.1 -73.8 -36.6 36.0 32.8 51.5 112 112 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.4 -1,-0.2 0.847 111.3 56.8 -70.2 -32.0 35.6 33.7 47.8 113 113 A G H X S+ 0 0 18 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.864 106.2 47.8 -62.2 -42.5 33.4 36.6 48.9 114 114 A Q H X S+ 0 0 75 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.889 112.0 52.3 -64.1 -42.5 36.2 38.0 51.1 115 115 A N H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.945 109.5 46.7 -52.7 -56.2 38.4 37.5 48.0 116 116 A H H X S+ 0 0 41 -4,-3.1 4,-1.5 1,-0.2 -2,-0.2 0.869 113.8 52.6 -57.3 -36.1 35.9 39.5 45.8 117 117 A H H X>S+ 0 0 82 -4,-2.1 5,-2.7 1,-0.2 4,-1.4 0.950 111.2 40.7 -67.0 -51.8 35.8 42.1 48.6 118 118 A F H <5S+ 0 0 49 -4,-2.5 8,-0.3 1,-0.2 -1,-0.2 0.769 123.5 40.4 -70.0 -24.3 39.5 42.8 49.0 119 119 A N H <5S+ 0 0 39 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.653 131.7 17.4 -96.5 -21.1 40.2 42.7 45.2 120 120 A H H <5S+ 0 0 87 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.243 131.4 26.6-140.2 10.5 37.2 44.5 43.8 121 121 A A T <5S+ 0 0 67 -4,-1.4 -3,-0.2 -5,-0.1 -4,-0.1 0.563 78.6 105.9-144.9 -45.0 35.5 46.6 46.6 122 122 A A < - 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0 0 10 -5,-1.2 2,-0.9 -41,-0.0 -1,-0.3 -0.969 49.8-142.9-115.4 129.0 41.8 31.7 39.6 179 179 A D > - 0 0 84 -2,-0.5 3,-2.5 1,-0.2 4,-0.3 -0.853 11.7-159.6 -88.2 107.2 43.0 29.9 36.5 180 180 A L G > S+ 0 0 3 -2,-0.9 3,-1.9 1,-0.3 7,-0.4 0.796 86.7 68.0 -58.6 -28.9 40.3 27.2 36.2 181 181 A A G 3 S+ 0 0 56 1,-0.3 -1,-0.3 5,-0.1 4,-0.0 0.651 86.0 69.4 -64.2 -16.0 42.7 25.0 34.1 182 182 A M G < S+ 0 0 134 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.674 103.7 46.2 -72.5 -14.7 44.8 24.5 37.3 183 183 A Y S <> S+ 0 0 25 -3,-1.9 4,-2.8 -4,-0.3 3,-0.3 -0.695 71.5 175.4-129.6 74.6 41.8 22.5 38.5 184 184 A P H > S+ 0 0 65 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.797 79.5 51.1 -54.3 -40.8 40.8 20.2 35.5 185 185 A A H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.910 113.1 46.6 -65.1 -40.1 38.1 18.3 37.4 186 186 A V H > S+ 0 0 0 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.916 111.0 53.5 -64.9 -43.8 36.5 21.6 38.5 187 187 A K H X S+ 0 0 102 -4,-2.8 4,-1.9 -7,-0.4 -2,-0.2 0.930 111.5 44.1 -58.9 -45.2 36.9 22.8 34.9 188 188 A N H X S+ 0 0 117 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.894 114.2 48.6 -68.2 -38.3 35.1 19.8 33.5 189 189 A W H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.894 110.1 54.5 -67.7 -37.1 32.3 19.9 36.1 190 190 A H H X S+ 0 0 18 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.920 112.0 41.6 -61.7 -42.2 31.9 23.5 35.5 191 191 A E H X S+ 0 0 83 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.883 110.3 57.9 -78.7 -36.6 31.3 23.1 31.8 192 192 A R H < S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.929 111.8 41.0 -55.6 -42.2 29.2 20.1 32.3 193 193 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.843 108.7 60.5 -79.2 -32.6 26.8 22.1 34.5 194 194 A R H 3< S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 105.9 49.5 -56.1 -36.2 27.0 25.1 32.1 195 195 A S T 3< S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.438 81.9 112.0 -91.4 1.6 25.6 23.0 29.4 196 196 A R S X> S- 0 0 65 -3,-1.2 4,-2.2 -4,-0.2 3,-0.5 -0.498 75.5-123.9 -69.2 137.4 22.6 21.5 31.3 197 197 A P H 3> S+ 0 0 113 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.868 107.9 52.8 -53.4 -36.3 19.3 22.9 29.8 198 198 A A H 3> S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.841 106.9 51.2 -71.8 -34.2 18.1 24.3 33.2 199 199 A T H <> S+ 0 0 0 -3,-0.5 4,-2.2 -6,-0.3 -1,-0.2 0.950 109.7 51.6 -62.8 -49.4 21.3 26.3 33.7 200 200 A G H X S+ 0 0 31 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.924 110.3 49.1 -48.2 -50.6 20.8 27.6 30.2 201 201 A Q H >< S+ 0 0 110 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.892 110.5 49.4 -58.3 -45.6 17.3 28.6 31.2 202 202 A A H 3< S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 103.0 61.3 -65.5 -29.4 18.4 30.4 34.4 203 203 A L H 3< 0 0 90 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.565 360.0 360.0 -80.6 -5.5 21.1 32.3 32.4 204 204 A L << 0 0 173 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.501 360.0 360.0 -99.6 360.0 18.2 33.9 30.4