==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-95 1CTU . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.XIANG,S.A.SHORT,R.WOLFENDEN,C.W.CARTER . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.9 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 . 2 0.7 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-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 0.3 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 2 0 0 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 59 0, 0.0 26,-0.2 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 141.8 59.0 43.0 17.7 2 2 A H >> - 0 0 28 24,-0.5 3,-2.2 22,-0.4 4,-0.6 -0.331 360.0-130.2 -57.4 123.1 57.0 46.1 16.9 3 3 A P G >4 S+ 0 0 77 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.726 101.9 75.9 -49.0 -27.2 55.1 47.1 20.0 4 4 A R G 34 S+ 0 0 44 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.899 100.6 43.6 -56.7 -33.7 51.9 47.2 18.0 5 5 A F G <> S+ 0 0 0 -3,-2.2 4,-2.9 1,-0.2 5,-0.3 0.628 85.9 100.9 -81.9 -18.7 51.9 43.5 18.1 6 6 A Q H S+ 0 0 95 -4,-0.5 4,-0.7 -3,-0.2 3,-0.3 0.928 119.5 50.6 -60.1 -52.6 49.5 42.4 23.3 8 8 A A H >4 S+ 0 0 13 -4,-0.4 3,-2.8 1,-0.3 4,-0.4 0.978 108.6 52.9 -49.1 -59.6 48.1 40.5 20.4 9 9 A F H >< S+ 0 0 24 -4,-2.9 3,-1.6 1,-0.3 -1,-0.3 0.846 102.8 60.9 -43.8 -41.2 51.1 38.3 20.2 10 10 A A H 3< S+ 0 0 66 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.628 102.9 48.7 -67.4 -18.0 50.7 37.5 23.9 11 11 A Q T << S+ 0 0 145 -3,-2.8 -1,-0.3 -4,-0.7 -2,-0.2 0.296 88.2 108.0-104.9 7.2 47.3 36.0 23.5 12 12 A L S < S- 0 0 17 -3,-1.6 2,-0.1 -4,-0.4 44,-0.1 -0.370 82.8 -88.3 -74.2 161.2 48.3 33.8 20.6 13 13 A A >> - 0 0 51 1,-0.1 4,-3.6 -2,-0.1 3,-0.9 -0.466 35.9-113.3 -74.4 149.8 48.7 30.1 21.2 14 14 A D H 3> S+ 0 0 128 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.868 115.3 44.1 -49.0 -52.1 52.0 28.7 22.5 15 15 A N H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.795 116.5 48.0 -67.7 -25.3 52.8 26.8 19.4 16 16 A L H <> S+ 0 0 5 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.929 109.0 53.5 -77.6 -42.4 51.8 29.6 17.2 17 17 A Q H X S+ 0 0 49 -4,-3.6 4,-3.3 1,-0.2 -2,-0.2 0.925 109.1 49.5 -52.1 -51.7 53.7 32.1 19.2 18 18 A S H < S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.920 110.8 48.5 -55.6 -50.6 56.8 30.0 18.8 19 19 A A H < S+ 0 0 23 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.841 119.7 40.0 -59.7 -33.1 56.4 29.7 15.1 20 20 A L H >X S+ 0 0 2 -4,-2.1 3,-2.5 1,-0.2 4,-2.2 0.868 91.2 80.2 -81.8 -48.0 55.9 33.4 14.8 21 21 A E T 3< S+ 0 0 104 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.693 90.6 55.8 -38.2 -33.6 58.3 35.0 17.1 22 22 A P T 34 S+ 0 0 81 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.843 115.1 39.2 -68.0 -37.7 61.2 34.7 14.8 23 23 A I T X4 S+ 0 0 34 -3,-2.5 3,-0.9 -4,-0.3 -2,-0.2 0.898 116.6 46.6 -79.3 -46.7 59.2 36.6 12.1 24 24 A L T 3< S+ 0 0 0 -4,-2.2 -22,-0.4 1,-0.2 -1,-0.2 0.500 91.2 91.6 -71.9 -6.6 57.6 39.1 14.2 25 25 A A T 3 + 0 0 53 -5,-0.4 2,-0.3 -24,-0.2 -1,-0.2 0.917 69.7 77.4 -56.2 -44.5 60.9 39.6 15.7 26 26 A D S X S- 0 0 92 -3,-0.9 3,-1.9 -4,-0.4 -24,-0.5 -0.525 75.9-143.2 -69.6 127.6 61.8 42.3 13.3 27 27 A K T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.809 104.4 53.6 -55.3 -35.3 60.3 45.8 14.0 28 28 A Y T 3 S+ 0 0 88 2,-0.1 -1,-0.3 -27,-0.0 -2,-0.1 0.081 72.7 154.1 -93.4 23.1 59.9 46.2 10.4 29 29 A F < - 0 0 5 -3,-1.9 -5,-0.1 -5,-0.2 -6,-0.0 -0.338 47.8-131.6 -49.7 125.2 58.0 42.9 9.9 30 30 A P - 0 0 43 0, 0.0 56,-0.2 0, 0.0 -1,-0.2 0.033 27.8-112.2 -80.8 24.9 56.1 43.8 6.7 31 31 A A S S+ 0 0 0 1,-0.2 55,-2.4 218,-0.1 2,-0.3 0.914 86.5 95.6 47.5 51.5 52.7 42.7 7.8 32 32 A L E -A 85 0A 32 53,-0.2 2,-0.4 217,-0.1 53,-0.2 -0.987 58.6-147.0-164.6 157.6 52.8 39.9 5.2 33 33 A L E -A 84 0A 1 51,-2.6 51,-2.7 -2,-0.3 2,-0.1 -0.987 12.2-139.5-138.6 133.7 53.6 36.2 4.9 34 34 A T > - 0 0 53 -2,-0.4 4,-2.0 49,-0.2 3,-0.3 -0.459 34.7-102.9 -82.5 168.3 55.0 34.3 2.1 35 35 A G H > S+ 0 0 27 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.918 122.5 56.0 -51.3 -53.2 53.8 30.8 1.2 36 36 A E H > S+ 0 0 161 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.896 107.5 48.0 -47.4 -48.0 56.8 29.4 2.8 37 37 A Q H > S+ 0 0 47 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 109.2 52.9 -67.0 -34.5 56.0 31.0 6.1 38 38 A V H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.963 109.2 50.0 -61.4 -48.8 52.5 29.9 5.9 39 39 A S H X S+ 0 0 63 -4,-3.4 4,-1.5 1,-0.3 5,-0.2 0.943 109.6 49.9 -56.5 -47.2 53.6 26.4 5.4 40 40 A S H X S+ 0 0 71 -4,-2.4 4,-1.8 -5,-0.3 3,-0.5 0.913 110.5 51.5 -55.9 -42.5 55.9 26.6 8.3 41 41 A L H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 6,-0.3 0.859 105.9 54.4 -59.7 -44.0 53.1 28.0 10.4 42 42 A K H < S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.786 109.8 47.6 -63.8 -28.4 50.8 25.2 9.4 43 43 A S H < S+ 0 0 107 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.772 108.7 51.1 -84.2 -35.9 53.4 22.6 10.5 44 44 A A H < S+ 0 0 47 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.652 123.8 29.1 -72.6 -22.3 54.1 24.1 13.8 45 45 A T S < S- 0 0 5 -4,-1.0 7,-0.0 -5,-0.2 0, 0.0 -0.932 89.4-121.1-124.4 156.3 50.4 24.3 14.6 46 46 A G + 0 0 85 -2,-0.3 -4,-0.1 6,-0.0 -3,-0.1 0.600 66.1 138.5 -86.3 14.5 48.1 21.8 13.2 47 47 A L - 0 0 54 -6,-0.3 2,-0.2 4,-0.1 -2,-0.2 -0.021 46.8-140.7 -55.6 148.9 46.1 24.6 11.4 48 48 A D > - 0 0 96 1,-0.1 4,-3.1 0, 0.0 5,-0.2 -0.509 41.1 -93.4 -94.9 164.6 44.7 24.7 8.0 49 49 A E H > S+ 0 0 79 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.961 124.5 48.0 -46.8 -58.8 44.8 27.9 6.1 50 50 A D H > S+ 0 0 58 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.892 115.2 44.3 -52.4 -44.9 41.5 29.1 7.1 51 51 A A H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.884 112.7 53.4 -69.7 -31.9 42.1 28.4 10.6 52 52 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.959 108.4 49.3 -65.4 -46.5 45.5 29.9 10.4 53 53 A A H >X S+ 0 0 0 -4,-3.8 4,-1.3 1,-0.3 3,-0.7 0.961 110.4 49.5 -58.7 -48.7 44.1 33.1 8.9 54 54 A F H 3< S+ 0 0 64 -4,-2.3 3,-0.3 -5,-0.3 -1,-0.3 0.873 109.7 54.4 -57.2 -34.0 41.5 33.4 11.6 55 55 A A H 3< S+ 0 0 31 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.853 108.0 47.2 -73.3 -25.8 44.2 32.8 14.1 56 56 A L H XX S+ 0 0 1 -4,-1.9 3,-2.6 -3,-0.7 4,-1.5 0.550 82.6 100.3 -84.6 -14.2 46.4 35.7 12.7 57 57 A L H >X S+ 0 0 8 -4,-1.3 4,-3.2 -3,-0.3 3,-0.6 0.843 74.8 58.4 -38.1 -58.1 43.5 38.3 12.6 58 58 A P H 3> S+ 0 0 54 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.644 105.0 51.5 -49.9 -24.3 44.5 40.0 15.8 59 59 A L H <> S+ 0 0 2 -3,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.858 110.3 48.1 -82.3 -38.6 47.9 40.7 14.4 60 60 A A H X< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.6 -3,-0.1 0.939 113.4 48.5 -63.6 -39.5 46.3 42.2 11.3 61 61 A A H >< S+ 0 0 13 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.753 95.2 72.7 -73.2 -21.3 44.1 44.2 13.6 62 62 A A H 3< S+ 0 0 25 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.776 91.6 60.5 -61.1 -23.9 47.0 45.3 15.7 63 63 A C T << S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.276 80.1 119.4 -85.0 2.8 47.9 47.6 12.7 64 64 A A < - 0 0 17 -3,-1.7 2,-0.5 23,-0.1 26,-0.2 -0.483 49.9-155.8 -73.0 148.2 44.7 49.5 12.8 65 65 A R B +f 90 0B 64 24,-2.3 26,-2.7 -2,-0.2 3,-0.1 -0.914 26.7 156.8-127.6 99.3 44.6 53.3 13.5 66 66 A T > + 0 0 10 -2,-0.5 4,-1.1 24,-0.2 26,-0.1 -0.478 11.6 155.5-131.4 67.4 41.3 54.3 14.9 67 67 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.708 86.5 38.2 -56.2 -27.1 41.4 57.6 16.8 68 68 A L T 4 S+ 0 0 93 -3,-0.1 -2,-0.1 3,-0.1 24,-0.0 0.936 128.5 22.0 -87.3 -72.7 37.7 57.9 16.1 69 69 A S T 4 S- 0 0 52 2,-0.1 3,-0.1 1,-0.1 -3,-0.1 0.842 74.1-150.8 -65.1 -49.6 36.0 54.5 16.3 70 70 A N < + 0 0 123 -4,-1.1 2,-0.7 1,-0.2 -1,-0.1 0.794 55.2 136.9 71.4 19.6 38.5 52.6 18.4 71 71 A F - 0 0 98 -5,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.876 45.8-153.7-106.3 93.0 37.1 49.8 16.4 72 72 A N + 0 0 74 -2,-0.7 2,-0.5 -3,-0.1 -11,-0.1 -0.581 15.9 179.1 -74.9 121.3 39.9 47.6 15.3 73 73 A V - 0 0 12 -2,-0.5 16,-1.4 -12,-0.1 2,-0.3 -0.986 4.4-171.6-126.7 124.4 39.4 45.7 12.1 74 74 A G E -B 88 0A 0 -2,-0.5 51,-1.8 14,-0.2 2,-0.3 -0.842 2.8-177.2-112.8 153.5 41.9 43.4 10.6 75 75 A A E -BC 87 124A 0 12,-2.1 12,-1.7 -2,-0.3 2,-0.4 -0.965 12.6-154.7-142.8 153.8 41.8 41.6 7.2 76 76 A I E -BC 86 123A 0 47,-2.0 47,-2.0 -2,-0.3 2,-0.5 -0.992 9.0-157.2-136.9 118.4 44.1 39.2 5.5 77 77 A A E -BC 85 122A 0 8,-2.6 8,-2.9 -2,-0.4 2,-0.8 -0.869 11.1-144.4 -97.9 130.7 44.2 38.9 1.7 78 78 A R E -BC 84 121A 15 43,-2.8 42,-2.6 -2,-0.5 43,-1.0 -0.840 13.9-140.6-103.5 112.3 45.4 35.7 0.2 79 79 A G E > - C 0 119A 7 4,-3.7 3,-0.9 -2,-0.8 40,-0.2 -0.025 18.1-129.8 -61.1 156.1 47.4 36.0 -2.9 80 80 A V T 3 S+ 0 0 98 38,-1.9 -1,-0.2 1,-0.2 39,-0.1 0.647 113.7 66.9 -78.3 -9.0 47.0 33.6 -5.7 81 81 A S T 3 S- 0 0 66 37,-0.4 -1,-0.2 2,-0.2 -46,-0.2 0.695 121.4-109.2 -79.9 -22.6 50.7 33.7 -5.2 82 82 A G S < S+ 0 0 29 -3,-0.9 2,-0.3 1,-0.5 -44,-0.1 0.155 81.3 126.7 103.8 -13.7 50.5 32.1 -1.8 83 83 A T - 0 0 26 -49,-0.1 -4,-3.7 -5,-0.1 -1,-0.5 -0.602 49.7-149.5 -79.7 143.0 51.4 35.3 -0.2 84 84 A W E -AB 33 78A 4 -51,-2.7 -51,-2.6 -2,-0.3 2,-0.4 -0.930 9.8-158.5-110.0 128.8 49.1 36.6 2.5 85 85 A Y E -AB 32 77A 11 -8,-2.9 -8,-2.6 -2,-0.4 -53,-0.2 -0.919 9.9-135.8-113.1 133.2 48.8 40.3 3.0 86 86 A F E - B 0 76A 2 -55,-2.4 2,-0.3 -2,-0.4 -10,-0.2 -0.487 23.0-177.1 -81.1 162.7 47.7 42.0 6.2 87 87 A G E + B 0 75A 0 -12,-1.7 -12,-2.1 -2,-0.1 2,-0.3 -0.985 6.1 175.7-154.0 148.3 45.2 44.9 6.2 88 88 A A E - B 0 74A 0 -2,-0.3 -14,-0.2 -14,-0.2 -27,-0.1 -0.993 32.5 -98.3-157.9 150.9 43.7 47.2 8.8 89 89 A N - 0 0 13 -16,-1.4 -24,-2.3 -2,-0.3 2,-0.4 -0.351 31.6-160.0 -69.9 155.1 41.4 50.2 8.9 90 90 A M B -fG 65 101B 0 11,-2.0 11,-2.3 -26,-0.2 2,-0.4 -0.995 8.8-171.9-140.3 135.5 42.6 53.7 9.3 91 91 A E - 0 0 23 -26,-2.7 2,-0.7 -2,-0.4 6,-0.1 -0.986 13.6-148.5-124.3 133.4 40.9 56.9 10.4 92 92 A F > - 0 0 12 -2,-0.4 3,-1.7 4,-0.3 7,-0.1 -0.861 8.6-142.0-110.9 108.9 42.4 60.3 10.2 93 93 A I T 3 S+ 0 0 95 -2,-0.7 3,-0.1 1,-0.2 -25,-0.0 -0.331 89.8 32.2 -60.1 134.8 41.6 63.0 12.7 94 94 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.2 189,-0.0 2,-0.1 0.293 110.7 72.8 96.5 -9.4 41.3 66.4 11.0 95 95 A A S < S- 0 0 37 -3,-1.7 -1,-0.3 1,-0.1 2,-0.3 -0.105 85.8 -81.7-110.6-142.5 40.0 65.1 7.7 96 96 A T > - 0 0 76 -3,-0.1 3,-2.5 -2,-0.1 4,-0.3 -0.841 30.6-108.8-125.5 163.3 36.7 63.7 6.6 97 97 A M G > S+ 0 0 140 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.841 116.6 66.5 -59.0 -31.5 34.9 60.3 6.8 98 98 A Q G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.560 94.1 59.4 -65.9 -11.0 35.5 60.1 3.1 99 99 A Q G < S+ 0 0 23 -3,-2.5 -1,-0.3 -7,-0.1 -2,-0.2 0.526 81.8 114.4 -89.9 -16.5 39.2 59.8 3.8 100 100 A T < - 0 0 37 -3,-1.5 2,-0.4 -4,-0.3 -9,-0.2 -0.040 56.0-144.3 -52.2 156.9 38.8 56.7 6.0 101 101 A V B -G 90 0B 0 -11,-2.3 -11,-2.0 136,-0.1 2,-0.3 -0.993 8.8-138.1-129.5 133.1 40.3 53.3 4.9 102 102 A H >> - 0 0 52 -2,-0.4 4,-2.5 -13,-0.2 3,-0.9 -0.694 23.3-116.6 -93.4 151.7 38.7 50.0 5.6 103 103 A A H 3> S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.911 116.8 51.1 -46.8 -45.1 40.6 46.9 6.7 104 104 A E H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.818 107.3 48.9 -63.2 -42.0 39.6 45.3 3.5 105 105 A Q H <> S+ 0 0 3 -3,-0.9 4,-2.7 2,-0.2 5,-0.3 0.907 110.2 56.0 -65.4 -35.8 40.7 48.0 1.2 106 106 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 110.0 42.4 -55.1 -54.0 43.9 48.0 3.1 107 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.901 115.3 49.3 -65.0 -43.9 44.6 44.3 2.5 108 108 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.911 116.0 40.4 -67.2 -40.5 43.6 44.4 -1.1 109 109 A S H X S+ 0 0 2 -4,-2.7 4,-3.8 -5,-0.2 5,-0.5 0.910 110.3 59.9 -76.6 -30.2 45.6 47.3 -2.1 110 110 A H H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.982 113.6 39.6 -52.1 -52.6 48.4 46.1 0.1 111 111 A A H <>S+ 0 0 0 -4,-2.7 5,-2.1 -5,-0.2 4,-0.4 0.953 116.5 48.4 -62.8 -51.7 48.4 43.1 -2.2 112 112 A W H ><5S+ 0 0 6 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.919 113.3 47.3 -54.0 -51.6 47.7 44.9 -5.4 113 113 A L H 3<5S+ 0 0 31 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 104.7 61.0 -61.7 -35.5 50.5 47.4 -4.8 114 114 A S T 3<5S- 0 0 57 -4,-1.9 -1,-0.3 -5,-0.5 -2,-0.2 0.549 126.4 -97.8 -70.4 -7.3 52.9 44.7 -3.9 115 115 A G T < 5 + 0 0 47 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.344 67.5 157.9 108.0 -4.0 52.5 43.2 -7.3 116 116 A E < - 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0 0 52 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.371 54.5-107.2 -65.6 135.9 31.5 41.4 8.5 128 128 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.504 26.8-124.6 -69.3 131.1 32.3 43.7 5.6 129 129 A C > - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.112 31.5-104.2 -62.4 163.5 30.3 46.9 5.2 130 130 A G H > S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.704 120.6 63.2 -68.4 -27.7 28.6 47.5 1.9 131 131 A H H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 109.0 41.5 -62.3 -46.9 31.2 50.0 0.9 132 132 A C H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.880 109.1 56.5 -73.1 -34.9 33.8 47.1 1.0 133 133 A R H X S+ 0 0 58 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.899 112.7 44.8 -63.1 -33.4 31.6 44.6 -0.6 134 134 A Q H < S+ 0 0 27 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.886 109.7 53.7 -72.5 -40.4 31.4 47.0 -3.4 135 135 A F H >< S+ 0 0 2 -4,-2.3 3,-2.1 1,-0.2 4,-0.4 0.988 107.3 53.3 -57.3 -49.7 35.1 47.7 -3.3 136 136 A M H >< S+ 0 0 0 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.844 97.0 64.7 -51.7 -39.8 35.7 44.0 -3.7 137 137 A N T 3< S+ 0 0 17 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.448 88.6 69.6 -70.3 2.8 33.5 43.6 -6.7 138 138 A E T < S+ 0 0 1 -3,-2.1 38,-2.2 -4,-0.2 -1,-0.3 0.664 82.0 97.2 -89.0 -17.3 35.9 45.8 -8.8 139 139 A L B X S-h 176 0C 1 -3,-1.7 3,-2.0 -4,-0.4 38,-0.2 -0.282 87.5-114.7 -73.4 160.6 38.6 43.1 -8.7 140 140 A N T 3 S+ 0 0 46 36,-1.9 -1,-0.1 1,-0.3 37,-0.1 0.656 112.6 72.8 -67.9 -15.9 39.3 40.7 -11.4 141 141 A S T > S- 0 0 19 35,-0.3 3,-1.2 1,-0.2 4,-0.4 0.602 84.5-175.1 -71.4 -15.1 38.3 38.0 -9.0 142 142 A G G X - 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0 0 148 -2,-0.3 -4,-0.3 1,-0.1 2,-0.2 -0.450 48.1 -92.7 -83.2 171.7 31.0 29.5 6.7 154 154 A A + 0 0 41 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.2 -0.519 48.0 179.6 -79.6 152.6 32.8 30.8 3.7 155 155 A H E -E 147 0A 51 -8,-1.5 -8,-3.4 -2,-0.2 2,-0.1 -0.980 27.9-110.5-147.5 160.5 30.9 32.4 0.9 156 156 A A E >> -E 146 0A 0 -2,-0.3 4,-0.6 -10,-0.2 3,-0.6 -0.211 38.3-106.3 -80.4 168.6 31.6 34.0 -2.4 157 157 A L H >> S+ 0 0 0 -14,-1.1 3,-2.4 -12,-0.9 4,-1.6 0.939 116.8 68.5 -63.8 -39.3 31.2 37.8 -2.8 158 158 A R H 34 S+ 0 0 113 -15,-2.6 -1,-0.2 1,-0.3 5,-0.1 0.793 96.2 54.8 -49.5 -30.9 28.0 37.1 -4.8 159 159 A D H <4 S+ 0 0 90 -3,-0.6 -1,-0.3 -16,-0.3 -2,-0.2 0.788 110.9 42.2 -75.0 -28.3 26.4 35.9 -1.6 160 160 A Y H << S+ 0 0 33 -3,-2.4 -2,-0.2 -4,-0.6 -1,-0.2 0.599 122.0 43.3 -90.5 -13.1 27.2 39.1 0.3 161 161 A L S >< S- 0 0 26 -4,-1.6 3,-0.5 -18,-0.1 -1,-0.2 -0.662 78.7-171.8-136.1 70.1 26.3 41.2 -2.7 162 162 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.315 72.4 5.5 -64.1 149.5 23.2 40.0 -4.2 163 163 A D T 3 S- 0 0 175 1,-0.1 2,-0.1 -5,-0.1 -5,-0.0 0.947 100.5-159.8 40.7 60.1 22.0 41.4 -7.5 164 164 A A < - 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0 0 60 -7,-0.1 2,-0.2 4,-0.1 6,-0.0 -0.804 66.7-158.8 -98.3 126.0 39.4 46.1 -17.3 175 175 A L > - 0 0 43 -2,-0.6 3,-1.9 1,-0.1 2,-0.2 -0.663 29.2 -85.7-102.6 166.0 39.3 45.1 -13.7 176 176 A L B 3 S+h 139 0C 2 -38,-2.2 -36,-1.9 1,-0.3 -35,-0.3 -0.453 117.1 25.7 -66.6 129.6 41.3 46.1 -10.7 177 177 A M T 3 S+ 0 0 8 1,-0.5 -1,-0.3 -2,-0.2 -38,-0.1 0.205 93.1 123.6 94.5 -4.7 44.4 43.9 -10.5 178 178 A D S < S- 0 0 53 -3,-1.9 2,-0.5 1,-0.1 -1,-0.5 -0.342 79.6 -81.2 -73.8 166.2 44.4 43.4 -14.2 179 179 A E + 0 0 147 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.666 59.4 171.6 -81.5 125.0 47.5 44.4 -15.8 180 180 A Q + 0 0 39 -2,-0.5 2,-0.2 21,-0.1 23,-0.1 -0.955 20.1 164.6-134.9 150.1 47.9 48.1 -16.5 181 181 A D - 0 0 124 -2,-0.3 20,-0.2 21,-0.1 19,-0.1 -0.708 13.3-168.9-166.1 98.1 50.5 50.6 -17.7 182 182 A H - 0 0 54 18,-2.2 19,-0.1 -2,-0.2 18,-0.1 0.632 38.0-128.0 -70.8 -14.6 49.4 54.0 -18.9 183 183 A G + 0 0 53 1,-0.2 2,-0.3 17,-0.2 14,-0.1 0.715 44.9 160.3 79.2 25.5 52.8 54.8 -20.3 184 184 A Y - 0 0 55 12,-0.2 -1,-0.2 13,-0.1 2,-0.2 -0.587 45.6-110.2 -80.6 144.5 53.9 58.1 -18.8 185 185 A A - 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