==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUN-09 3HSG . COMPND 2 MOLECULE: HPPK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,Y.LI,H.YAN,X.JI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 64.6 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 . 35 22.2 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 0.6 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 . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 1 0 1 0 0 1 0 0 0 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 . 2 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 T 0 0 77 0, 0.0 61,-2.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 147.6 10.4 20.3 39.8 2 2 A V E -A 61 0A 40 59,-0.2 100,-2.2 61,-0.1 2,-0.4 -0.962 360.0-165.1-106.4 122.0 9.0 19.5 36.4 3 3 A A E -AB 60 101A 0 57,-3.0 57,-3.0 -2,-0.6 2,-0.6 -0.841 10.0-146.1-101.6 140.3 10.7 21.4 33.6 4 4 A Y E -AB 59 100A 38 96,-2.5 95,-2.5 -2,-0.4 96,-1.5 -0.950 18.9-169.5-109.9 120.8 9.1 21.5 30.1 5 5 A I E -AB 58 98A 0 53,-2.5 53,-2.4 -2,-0.6 2,-0.4 -0.920 14.0-142.3-116.6 129.6 11.7 21.5 27.3 6 6 A A E -AB 57 97A 7 91,-3.0 91,-2.2 -2,-0.4 2,-0.4 -0.751 15.6-161.1 -87.0 138.0 11.0 22.2 23.6 7 7 A I E +AB 56 96A 2 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.984 13.6 171.8-120.1 130.8 12.9 20.1 21.1 8 8 A G E +AB 55 95A 12 87,-2.0 87,-2.1 -2,-0.4 2,-0.3 -0.996 4.7 168.9-138.4 143.9 13.3 21.1 17.5 9 9 A S E +A 54 0A 4 45,-1.6 45,-2.7 -2,-0.4 84,-0.2 -0.972 14.7 164.8-149.2 137.7 15.3 19.7 14.6 10 10 A N + 0 0 19 82,-2.6 2,-0.3 -2,-0.3 83,-0.2 -0.001 62.8 64.3-140.6 38.3 15.4 20.4 10.9 11 11 A L S S+ 0 0 66 81,-0.4 6,-0.2 82,-0.3 -1,-0.1 -0.991 90.1 20.1-157.5 146.4 18.7 18.9 9.8 12 12 A A S S- 0 0 46 -2,-0.3 5,-0.2 1,-0.1 -1,-0.1 0.875 132.6 -41.4 62.3 45.3 20.4 15.4 9.5 13 13 A S >> - 0 0 78 3,-0.1 4,-2.1 2,-0.1 3,-0.9 0.984 66.5-143.8 65.9 86.9 17.2 13.4 9.7 14 14 A P H 3> S+ 0 0 18 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.811 95.8 54.7 -53.6 -37.7 15.1 15.2 12.4 15 15 A L H 3> S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 109.5 48.5 -64.2 -37.9 13.6 12.0 13.8 16 16 A E H <> S+ 0 0 129 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.938 113.1 47.5 -63.0 -45.6 17.0 10.6 14.4 17 17 A Q H X S+ 0 0 24 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.890 114.0 47.0 -64.2 -40.7 18.2 13.8 16.0 18 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.931 113.4 46.5 -69.4 -44.8 15.1 14.0 18.3 19 19 A N H X S+ 0 0 80 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.891 113.5 50.0 -66.9 -35.9 15.2 10.4 19.4 20 20 A A H X S+ 0 0 41 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.904 109.9 51.5 -64.2 -39.5 19.0 10.8 20.0 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.890 105.9 54.5 -64.7 -39.6 18.3 13.9 22.0 22 22 A L H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 106.6 51.5 -59.0 -43.0 15.7 12.1 24.1 23 23 A K H < S+ 0 0 165 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.933 112.6 46.1 -60.0 -43.5 18.3 9.5 25.0 24 24 A A H >< S+ 0 0 23 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.893 109.9 53.2 -67.4 -38.4 20.7 12.2 26.1 25 25 A L H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.884 103.4 57.9 -63.0 -36.9 18.0 14.0 28.1 26 26 A G T 3< S+ 0 0 36 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.559 101.7 58.3 -68.5 -6.8 17.3 10.8 29.9 27 27 A D T < S+ 0 0 118 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.228 74.2 119.2-109.4 11.1 20.9 10.8 31.0 28 28 A I S X S- 0 0 5 -3,-1.6 3,-0.9 1,-0.1 41,-0.0 -0.635 70.7-110.1 -75.1 134.5 20.8 14.2 32.8 29 29 A P T 3 S+ 0 0 61 0, 0.0 35,-0.2 0, 0.0 34,-0.1 -0.246 94.8 13.7 -65.8 154.9 21.8 13.8 36.5 30 30 A E T 3 S+ 0 0 126 1,-0.2 33,-2.2 32,-0.1 34,-0.4 0.722 118.7 82.9 55.1 26.0 19.2 14.2 39.3 31 31 A S E < -C 62 0A 17 -3,-0.9 2,-0.3 31,-0.2 31,-0.2 -0.950 51.4-176.0-149.6 161.0 16.5 14.1 36.6 32 32 A H E -C 61 0A 92 29,-2.0 29,-2.4 -2,-0.3 2,-0.3 -0.952 35.5 -96.9-161.1 156.9 14.4 11.7 34.5 33 33 A I E -C 60 0A 48 -2,-0.3 27,-0.2 27,-0.2 3,-0.1 -0.519 27.3-176.9 -77.4 132.8 11.9 12.0 31.7 34 34 A L E - 0 0 90 25,-3.1 2,-0.3 1,-0.4 -1,-0.2 0.876 66.2 -27.1 -91.0 -52.0 8.2 11.8 32.7 35 35 A T E -C 59 0A 63 24,-1.2 24,-2.5 0, 0.0 -1,-0.4 -0.970 50.9-142.3-157.4 168.6 6.7 12.0 29.3 36 36 A V E -C 58 0A 43 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.988 23.4-122.8-136.5 139.5 7.2 13.2 25.8 37 37 A S - 0 0 7 20,-2.9 91,-0.1 -2,-0.3 3,-0.0 -0.167 39.4 -85.9 -67.8 171.1 4.7 14.7 23.3 38 38 A S - 0 0 40 89,-0.1 2,-0.5 1,-0.1 19,-0.3 -0.237 53.7 -97.6 -62.5 170.0 3.9 13.3 19.9 39 39 A F - 0 0 42 17,-0.1 119,-2.8 -3,-0.1 2,-0.4 -0.857 40.3-157.7-101.4 130.0 6.2 14.6 17.2 40 40 A Y E -DE 55 157A 8 15,-2.6 15,-2.6 -2,-0.5 2,-0.5 -0.850 10.8-134.7-113.9 139.9 4.8 17.5 15.1 41 41 A R E -D 54 0A 83 115,-2.8 115,-0.4 -2,-0.4 13,-0.2 -0.813 19.8-172.4 -93.4 130.7 5.8 18.6 11.6 42 42 A T E -D 53 0A 23 11,-2.5 11,-2.6 -2,-0.5 3,-0.1 -0.957 14.9-143.2-126.9 110.2 6.3 22.3 11.1 43 43 A P - 0 0 80 0, 0.0 9,-0.1 0, 0.0 0, 0.0 -0.317 45.0 -78.2 -61.7 156.3 6.8 23.7 7.5 44 44 A P - 0 0 56 0, 0.0 2,-1.0 0, 0.0 8,-0.1 -0.325 40.7-138.3 -56.6 135.6 9.3 26.5 7.2 45 45 A L S S+ 0 0 176 -3,-0.1 3,-0.1 2,-0.0 -3,-0.0 -0.809 73.2 12.1 -98.2 92.2 7.7 29.8 8.3 46 46 A G S S- 0 0 55 -2,-1.0 0, 0.0 1,-0.1 0, 0.0 -0.866 104.3 -57.0 133.8-170.6 9.0 32.2 5.6 47 47 A P S S+ 0 0 140 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.561 87.5 112.3 -88.9 -12.4 10.7 32.2 2.2 48 48 A Q S S- 0 0 104 1,-0.1 2,-1.5 -3,-0.1 -2,-0.0 -0.422 70.2-126.9 -70.7 136.3 13.9 30.3 3.1 49 49 A D + 0 0 163 -2,-0.1 -1,-0.1 -5,-0.0 0, 0.0 -0.648 56.0 141.5 -82.8 86.6 14.2 26.9 1.5 50 50 A Q - 0 0 37 -2,-1.5 3,-0.1 40,-0.1 -39,-0.1 -0.834 55.1 -90.3-121.7 161.5 14.9 24.8 4.7 51 51 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.350 50.5 -92.5 -66.2 154.3 13.7 21.3 5.7 52 52 A D - 0 0 56 -9,-0.1 2,-0.3 1,-0.1 -11,-0.0 -0.348 47.4-124.8 -55.3 146.4 10.5 20.8 7.6 53 53 A A E - D 0 42A 20 -11,-2.6 -11,-2.5 -3,-0.1 2,-0.5 -0.718 5.6-139.5 -97.9 149.2 11.1 20.8 11.4 54 54 A L E -AD 9 41A 0 -45,-2.7 -45,-1.6 -2,-0.3 2,-0.4 -0.943 27.4-172.1 -99.8 124.5 10.2 18.1 13.9 55 55 A N E +AD 8 40A 17 -15,-2.6 -15,-2.6 -2,-0.5 2,-0.3 -0.957 12.5 154.7-121.3 140.8 9.0 19.8 17.1 56 56 A A E -A 7 0A 2 -49,-2.2 -49,-2.5 -2,-0.4 2,-0.3 -0.914 29.5-131.9-151.2 173.1 8.1 18.2 20.4 57 57 A A E -A 6 0A 0 -19,-0.3 -20,-2.9 -2,-0.3 2,-0.4 -0.992 14.3-160.5-135.3 144.4 7.9 18.8 24.1 58 58 A V E -AC 5 36A 0 -53,-2.4 -53,-2.5 -2,-0.3 2,-0.6 -0.973 12.1-146.1-126.3 137.1 9.3 16.9 27.1 59 59 A A E -AC 4 35A 4 -24,-2.5 -25,-3.1 -2,-0.4 -24,-1.2 -0.938 24.4-172.1 -98.6 118.4 8.4 16.9 30.7 60 60 A L E -AC 3 33A 1 -57,-3.0 -57,-3.0 -2,-0.6 2,-0.3 -0.961 17.0-145.1-116.1 119.0 11.5 16.3 32.8 61 61 A E E +AC 2 32A 90 -29,-2.4 -29,-2.0 -2,-0.5 2,-0.3 -0.668 35.3 165.4 -75.0 135.2 11.4 15.8 36.5 62 62 A T E - C 0 31A 4 -61,-2.9 -31,-0.2 -2,-0.3 -32,-0.1 -0.994 46.0-163.6-154.0 145.8 14.5 17.3 38.1 63 63 A S + 0 0 81 -33,-2.2 -32,-0.1 -2,-0.3 -33,-0.1 0.313 65.7 112.4-103.6 4.3 16.1 18.4 41.4 64 64 A L S S- 0 0 9 -34,-0.4 -2,-0.1 -35,-0.2 -34,-0.0 -0.344 76.3-106.2 -67.9 155.1 18.6 20.5 39.5 65 65 A A >> - 0 0 38 1,-0.1 4,-2.3 -2,-0.0 3,-0.6 -0.457 36.6-106.2 -71.3 157.0 18.6 24.3 39.7 66 66 A P H 3> S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.895 122.3 50.2 -55.0 -43.0 17.4 26.0 36.5 67 67 A E H 3> S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.807 109.0 52.5 -63.5 -33.9 20.9 27.1 35.6 68 68 A E H <> S+ 0 0 86 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.872 107.7 50.8 -71.6 -39.5 22.2 23.6 36.1 69 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.942 109.1 51.7 -61.1 -45.4 19.5 22.2 33.8 70 70 A L H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.887 103.4 58.9 -59.3 -38.8 20.5 24.7 31.1 71 71 A N H X S+ 0 0 77 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.925 109.9 43.7 -53.4 -45.1 24.1 23.6 31.5 72 72 A H H X S+ 0 0 38 -4,-1.5 4,-2.3 -3,-0.3 -2,-0.2 0.869 111.9 49.8 -72.9 -40.3 23.0 20.1 30.5 73 73 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 113.0 48.1 -66.1 -38.7 20.7 21.0 27.6 74 74 A Q H X S+ 0 0 79 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.929 109.9 53.2 -63.3 -44.5 23.5 23.2 26.2 75 75 A R H X S+ 0 0 74 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.915 107.6 50.8 -55.3 -44.4 25.9 20.4 26.6 76 76 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 5,-0.4 0.933 110.2 49.1 -63.5 -44.8 23.6 18.0 24.7 77 77 A E H X S+ 0 0 34 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.933 114.1 46.4 -56.7 -45.4 23.3 20.4 21.8 78 78 A L H < S+ 0 0 117 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.816 117.1 42.8 -69.3 -31.9 27.1 20.9 21.7 79 79 A Q H < S+ 0 0 133 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.830 116.5 43.1 -82.5 -38.3 27.9 17.2 21.9 80 80 A Q H < S+ 0 0 52 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.881 102.6 67.8 -83.2 -37.4 25.3 15.7 19.5 81 81 A G S < S- 0 0 12 -4,-1.6 2,-2.2 -5,-0.4 -69,-0.0 -0.487 81.9-120.6 -88.0 152.1 25.3 18.1 16.6 82 82 A R - 0 0 197 -2,-0.2 -1,-0.1 2,-0.0 11,-0.1 -0.576 54.3-146.6 -74.8 69.7 28.0 18.9 13.9 83 83 A V + 0 0 65 -2,-2.2 2,-0.3 -5,-0.3 3,-0.1 -0.115 25.4 178.2 -55.6 131.6 27.6 22.3 15.4 84 84 A R > - 0 0 149 1,-0.1 3,-1.1 0, 0.0 4,-0.2 -0.956 41.7-127.8-134.3 151.6 28.1 25.1 12.9 85 85 A K G > S+ 0 0 160 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 0.896 110.8 62.1 -55.6 -42.5 28.0 28.9 12.9 86 86 A A G >> S+ 0 0 48 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.580 81.8 78.7 -66.2 -12.9 25.6 28.7 10.0 87 87 A E G <4 S+ 0 0 21 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.670 80.5 70.9 -70.3 -13.6 23.1 26.8 12.1 88 88 A R G <4 S+ 0 0 178 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.706 116.6 19.1 -73.4 -19.8 22.1 30.2 13.6 89 89 A W T <4 S+ 0 0 163 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.401 128.4 36.9-127.9 0.9 20.5 31.2 10.3 90 90 A G S < S- 0 0 12 -4,-1.2 -40,-0.1 1,-0.3 -42,-0.0 -0.541 105.6 -28.7-132.9-162.1 19.9 27.9 8.4 91 91 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.216 61.3-159.1 -54.9 147.0 18.9 24.3 9.1 92 92 A R - 0 0 75 1,-0.1 -82,-2.6 -3,-0.1 -81,-0.4 -0.996 21.1-145.1-140.8 133.2 19.9 23.2 12.6 93 93 A T S S+ 0 0 8 -2,-0.4 2,-0.3 1,-0.2 -82,-0.3 0.889 81.2 3.0 -67.1 -40.1 20.4 19.7 14.0 94 94 A L - 0 0 3 -85,-0.1 2,-0.4 -84,-0.1 -1,-0.2 -0.969 49.3-179.8-154.9 134.5 19.1 20.4 17.5 95 95 A D E -B 8 0A 41 -87,-2.1 -87,-2.0 -2,-0.3 2,-0.6 -0.982 7.6-173.3-131.6 122.5 17.5 23.1 19.6 96 96 A L E -B 7 0A 5 -2,-0.4 2,-0.4 -89,-0.2 -89,-0.2 -0.957 11.4-178.6-114.8 110.5 16.6 22.4 23.3 97 97 A D E -B 6 0A 29 -91,-2.2 -91,-3.0 -2,-0.6 2,-0.9 -0.907 28.0-130.8-113.4 134.2 14.8 25.4 24.8 98 98 A I E +B 5 0A 11 -2,-0.4 -93,-0.2 -93,-0.2 3,-0.1 -0.735 28.2 176.6 -80.4 110.7 13.6 25.5 28.4 99 99 A M E - 0 0 0 -95,-2.5 16,-1.9 -2,-0.9 2,-0.3 0.940 66.2 -0.6 -77.0 -51.9 9.9 26.6 28.1 100 100 A L E -B 4 0A 4 -96,-1.5 -96,-2.5 14,-0.2 2,-0.5 -0.985 51.3-156.9-140.8 145.8 9.0 26.4 31.8 101 101 A F E > S-B 3 0A 3 3,-0.5 3,-2.3 -2,-0.3 -98,-0.2 -0.894 70.8 -66.3-124.2 95.2 10.9 25.5 34.9 102 102 A G T 3 S- 0 0 22 -100,-2.2 -1,-0.3 -2,-0.5 -98,-0.1 -0.306 100.3 -40.5 51.1-137.6 8.1 24.6 37.3 103 103 A N T 3 S+ 0 0 108 -3,-0.1 -1,-0.3 34,-0.1 2,-0.1 0.146 104.9 131.4-100.5 18.4 6.1 27.7 37.9 104 104 A E < - 0 0 85 -3,-2.3 2,-0.5 1,-0.0 -3,-0.5 -0.369 49.3-146.7 -84.5 150.1 9.1 29.9 38.2 105 105 A V - 0 0 92 -2,-0.1 2,-0.5 33,-0.1 -2,-0.1 -0.977 19.6-176.6-111.9 123.4 9.9 33.2 36.5 106 106 A I E +F 113 0B 16 7,-2.8 7,-2.5 -2,-0.5 2,-0.5 -0.986 11.5 176.6-126.9 120.3 13.6 33.7 35.7 107 107 A N E +F 112 0B 125 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.817 31.6 129.7-124.2 88.8 14.9 37.0 34.2 108 108 A T - 0 0 62 3,-1.8 -2,-0.1 -2,-0.5 0, 0.0 -0.910 68.2-104.7-137.5 162.2 18.6 36.7 33.8 109 109 A E S S+ 0 0 208 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.936 120.2 34.7 -51.6 -50.7 21.3 37.3 31.1 110 110 A R S S+ 0 0 111 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.796 126.0 31.3 -75.3 -30.7 21.8 33.6 30.5 111 111 A L - 0 0 12 2,-0.0 -3,-1.8 4,-0.0 2,-0.5 -0.978 52.4-177.6-145.6 120.6 18.3 32.4 31.1 112 112 A T E -F 107 0B 64 -2,-0.4 4,-0.3 -5,-0.2 -5,-0.2 -0.985 25.5-145.5-118.7 121.8 14.8 33.8 30.6 113 113 A V E S+F 106 0B 1 -7,-2.5 -7,-2.8 -2,-0.5 2,-0.2 -0.998 80.4 43.9-137.7 136.1 11.8 31.6 31.7 114 114 A P S S- 0 0 29 0, 0.0 -14,-0.2 0, 0.0 -15,-0.1 0.550 114.7 -96.9 -55.5 154.3 9.1 31.3 30.5 115 115 A H > - 0 0 21 -16,-1.9 3,-1.2 -2,-0.2 4,-0.4 -0.225 36.0-121.5 -48.2 132.6 10.7 31.2 27.1 116 116 A Y T 3 S+ 0 0 175 -4,-0.3 -1,-0.2 1,-0.3 -3,-0.1 0.699 102.9 24.6 -60.0 -24.5 10.3 34.7 25.8 117 117 A D T > S+ 0 0 43 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.340 85.6 107.5-121.8 4.9 8.3 33.8 22.7 118 118 A M G X S+ 0 0 1 -3,-1.2 3,-1.7 1,-0.3 7,-0.4 0.813 73.9 62.4 -61.5 -30.9 6.6 30.5 23.5 119 119 A K G 3 S+ 0 0 60 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.579 105.6 49.1 -72.5 -4.9 3.1 32.0 23.8 120 120 A N G < S+ 0 0 111 -3,-2.2 2,-0.6 1,-0.1 -1,-0.3 0.300 96.7 84.2-107.8 6.0 3.4 33.0 20.2 121 121 A R X> - 0 0 46 -3,-1.7 4,-2.7 -4,-0.2 3,-1.7 -0.895 50.3-172.1-122.3 104.7 4.5 29.6 18.9 122 122 A G H 3> S+ 0 0 11 -2,-0.6 4,-2.6 1,-0.3 33,-0.2 0.843 89.5 64.2 -59.5 -31.8 2.0 26.9 18.1 123 123 A F H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 -83,-0.1 0.613 112.6 35.4 -72.3 -11.3 4.9 24.4 17.6 124 124 A M H <> S+ 0 0 7 -3,-1.7 4,-1.8 -6,-0.2 -2,-0.2 0.759 118.8 48.6 -97.5 -46.0 5.6 24.9 21.3 125 125 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 -7,-0.4 -2,-0.2 0.881 108.8 51.0 -66.1 -41.2 2.1 25.3 22.7 126 126 A W H X S+ 0 0 34 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.953 112.3 43.5 -67.6 -48.3 0.5 22.3 21.0 127 127 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.902 114.7 52.9 -63.1 -35.4 3.0 19.7 22.1 128 128 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.927 106.5 52.2 -61.6 -43.3 3.1 21.2 25.6 129 129 A F H < S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.1 0.831 103.4 59.0 -63.4 -32.1 -0.7 21.0 25.8 130 130 A E H < S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.882 117.2 31.0 -63.7 -38.5 -0.5 17.3 24.8 131 131 A I H < S+ 0 0 30 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.657 135.6 26.1 -95.4 -16.4 1.6 16.5 27.8 132 132 A A >< + 0 0 10 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.473 63.1 161.6-144.6 64.1 0.3 19.1 30.2 133 133 A P T 3 S+ 0 0 49 0, 0.0 11,-0.3 0, 0.0 -4,-0.1 0.763 78.9 52.1 -62.5 -22.5 -3.3 20.0 29.3 134 134 A E T 3 S+ 0 0 130 9,-0.1 -5,-0.1 -3,-0.1 -2,-0.0 0.317 81.7 140.6 -93.8 7.5 -4.0 21.5 32.7 135 135 A L < - 0 0 20 -3,-1.9 8,-2.6 -7,-0.1 9,-0.5 -0.199 32.9-166.9 -61.9 138.1 -1.0 23.8 32.7 136 136 A V B -G 142 0C 68 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.992 21.3-126.8-121.7 129.6 -1.3 27.3 34.0 137 137 A F > - 0 0 2 4,-3.1 3,-2.6 -2,-0.4 -34,-0.1 -0.288 27.9-104.1 -71.8 161.5 1.5 29.8 33.2 138 138 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.792 123.2 58.9 -56.4 -27.7 3.4 31.7 36.0 139 139 A D T 3 S- 0 0 102 2,-0.1 -2,-0.0 1,-0.0 -34,-0.0 0.416 122.6-107.2 -82.5 3.4 1.4 34.8 34.9 140 140 A G S < S+ 0 0 51 -3,-2.6 2,-0.3 1,-0.3 -1,-0.0 0.333 74.6 135.6 92.8 -5.9 -1.9 32.9 35.7 141 141 A E - 0 0 87 -5,-0.1 -4,-3.1 1,-0.1 2,-0.3 -0.595 53.5-125.6 -79.0 137.1 -3.0 32.3 32.1 142 142 A M B > -G 136 0C 84 -2,-0.3 4,-2.0 -6,-0.2 3,-0.3 -0.631 4.4-141.5 -81.1 133.3 -4.3 28.8 31.3 143 143 A L H > S+ 0 0 0 -8,-2.6 4,-2.3 -2,-0.3 5,-0.2 0.900 103.8 54.2 -56.3 -42.5 -2.7 27.0 28.4 144 144 A R H > S+ 0 0 77 -9,-0.5 4,-1.8 -11,-0.3 -1,-0.2 0.849 107.2 50.4 -62.3 -35.9 -6.1 25.6 27.4 145 145 A Q H > S+ 0 0 100 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.880 108.4 52.2 -73.9 -36.7 -7.6 29.0 27.3 146 146 A I H >< S+ 0 0 14 -4,-2.0 3,-0.9 1,-0.2 5,-0.5 0.942 114.6 42.2 -58.6 -49.2 -4.8 30.3 25.1 147 147 A L H >< S+ 0 0 9 -4,-2.3 3,-2.1 1,-0.2 5,-0.3 0.810 102.5 68.1 -71.6 -26.9 -5.3 27.5 22.6 148 148 A H H 3< S+ 0 0 125 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.665 82.7 74.5 -71.1 -12.4 -9.1 27.8 22.8 149 149 A T T << S- 0 0 89 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.725 101.1-135.4 -61.3 -21.0 -8.8 31.1 21.0 150 150 A R < + 0 0 195 -3,-2.1 -2,-0.1 -4,-0.2 -3,-0.1 0.685 65.8 132.1 64.1 25.2 -8.1 29.0 17.9 151 151 A A + 0 0 73 -5,-0.5 2,-0.5 1,-0.1 -29,-0.1 0.670 63.2 56.9 -74.5 -16.9 -5.3 31.4 17.1 152 152 A F S S- 0 0 41 -5,-0.3 -1,-0.1 -6,-0.1 -2,-0.1 -0.965 81.8-133.6-122.8 118.1 -2.9 28.4 16.5 153 153 A D - 0 0 140 -2,-0.5 2,-0.6 1,-0.1 -27,-0.1 -0.433 32.0-111.8 -59.2 138.8 -3.6 25.6 14.1 154 154 A K - 0 0 130 -2,-0.1 -1,-0.1 1,-0.1 -31,-0.1 -0.650 43.0-122.4 -71.5 118.0 -3.0 22.2 15.6 155 155 A L - 0 0 34 -2,-0.6 2,-0.1 -33,-0.2 -113,-0.1 -0.211 21.0-105.8 -64.4 152.7 0.1 21.0 13.7 156 156 A N - 0 0 131 -115,-0.4 -115,-2.8 1,-0.1 -1,-0.1 -0.434 40.9-102.3 -70.4 149.2 0.1 17.8 11.8 157 157 A K B E 40 0A 103 -117,-0.3 -117,-0.3 -2,-0.1 -1,-0.1 -0.286 360.0 360.0 -66.4 159.5 2.0 14.8 13.2 158 158 A W 0 0 103 -119,-2.8 -118,-0.1 -103,-0.1 -1,-0.1 0.865 360.0 360.0 -61.2 360.0 5.5 14.0 11.9