==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-08 2W4L . COMPND 2 MOLECULE: DEOXYCYTIDYLATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.I.SIPONEN,M.MOCHE,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA, . 930 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 11.0 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 . 6 0.6 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 . 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 . 44 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 5 1 3 3 0 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 6 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 . 6 0 0 6 9 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 . 3 0 0 6 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 6 A C 0 0 81 0, 0.0 842,-1.0 0, 0.0 843,-0.4 0.000 360.0 360.0 360.0 107.3 31.2 53.5 72.3 2 7 A K - 0 0 92 1,-0.2 837,-0.1 841,-0.1 836,-0.0 -0.551 360.0 -78.0-116.6 174.7 31.1 49.8 73.3 3 8 A K - 0 0 63 835,-0.4 805,-0.2 -2,-0.2 -1,-0.2 -0.242 54.6 -90.8 -70.1 159.1 32.5 46.5 72.0 4 9 A R - 0 0 44 803,-2.2 -1,-0.1 1,-0.1 3,-0.1 -0.365 24.7-163.1 -62.8 149.4 31.1 44.5 69.1 5 10 A D S S+ 0 0 98 1,-0.1 -1,-0.1 804,-0.1 -2,-0.0 0.587 83.9 61.3-101.8 -18.3 28.4 41.9 69.8 6 11 A D S S+ 0 0 121 801,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.039 72.2 133.9-102.2 23.1 28.9 40.1 66.4 7 12 A Y - 0 0 62 798,-0.1 2,-0.4 1,-0.1 798,-0.2 -0.292 65.8 -94.0 -73.3 159.1 32.5 38.9 66.6 8 13 A L - 0 0 19 796,-3.0 -1,-0.1 793,-0.1 2,-0.1 -0.612 43.2-137.9 -73.7 123.4 33.7 35.4 65.7 9 14 A E > - 0 0 89 -2,-0.4 4,-2.2 1,-0.1 3,-0.1 -0.410 20.4-106.4 -84.9 162.8 33.8 33.1 68.8 10 15 A W H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.830 112.2 52.6 -64.3 -38.6 36.6 30.7 69.6 11 16 A P H > S+ 0 0 26 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.937 115.6 40.8 -64.1 -43.7 34.9 27.4 68.8 12 17 A E H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.872 113.3 57.0 -68.3 -36.7 33.7 28.4 65.4 13 18 A Y H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 107.1 46.0 -59.6 -48.7 37.1 30.1 64.8 14 19 A F H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.877 115.4 45.8 -65.7 -40.4 39.1 26.9 65.4 15 20 A M H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.860 109.8 56.1 -69.4 -34.4 36.9 24.8 63.2 16 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.865 104.0 53.0 -62.8 -38.5 37.0 27.5 60.6 17 22 A V H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.914 109.6 50.0 -61.1 -42.0 40.8 27.3 60.6 18 23 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.953 113.9 43.4 -59.6 -52.2 40.4 23.5 60.0 19 24 A F H X S+ 0 0 12 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.826 114.0 51.1 -65.7 -32.1 38.0 24.1 57.0 20 25 A L H >< S+ 0 0 0 -4,-2.5 3,-0.8 2,-0.2 4,-0.3 0.935 109.8 49.7 -68.7 -46.6 40.1 26.9 55.6 21 26 A S H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 0.886 103.1 61.6 -57.8 -39.8 43.2 24.7 55.7 22 27 A A H >< S+ 0 0 7 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.830 91.0 67.9 -56.3 -33.5 41.2 21.9 54.0 23 28 A Q T << S+ 0 0 52 -4,-0.9 766,-3.4 -3,-0.8 -1,-0.3 0.610 88.7 66.5 -64.0 -13.4 40.7 24.2 50.9 24 29 A R T < S+ 0 0 34 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.622 77.1 116.6 -76.2 -16.5 44.5 23.9 50.3 25 30 A S < - 0 0 0 -3,-2.1 25,-0.1 -4,-0.2 764,-0.1 -0.280 52.3-161.0 -63.5 137.4 44.1 20.2 49.5 26 31 A K + 0 0 22 23,-0.4 759,-2.2 762,-0.1 -1,-0.1 0.416 58.4 114.2 -94.2 -3.1 45.0 19.1 45.9 27 32 A D - 0 0 2 22,-0.4 -2,-0.1 3,-0.3 22,-0.1 -0.612 57.7-154.3 -71.9 119.9 43.0 15.9 46.3 28 33 A P S S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.697 89.5 38.1 -69.1 -19.9 40.0 16.1 43.9 29 34 A N S S+ 0 0 88 1,-0.3 2,-0.4 33,-0.2 -2,-0.0 0.705 121.0 28.3-106.3 -25.0 37.8 13.8 45.9 30 35 A S - 0 0 43 2,-0.0 2,-0.5 19,-0.0 -1,-0.3 -0.982 50.7-179.8-145.6 125.3 38.4 14.6 49.6 31 36 A Q + 0 0 65 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.969 17.8 167.6-125.5 115.1 39.6 17.8 51.3 32 37 A V - 0 0 11 -2,-0.5 17,-1.5 -10,-0.2 2,-0.3 -0.938 12.2-167.0-126.8 147.6 40.0 17.6 55.1 33 38 A G E -A 48 0A 0 -2,-0.3 65,-1.8 15,-0.2 2,-0.3 -0.932 2.1-164.2-132.3 157.1 41.6 19.9 57.6 34 39 A A E -AB 47 97A 0 13,-2.4 13,-2.2 -2,-0.3 2,-0.3 -0.984 2.4-166.6-141.1 151.5 42.6 19.7 61.3 35 40 A C E -AB 46 96A 0 61,-2.6 61,-3.2 -2,-0.3 2,-0.4 -0.976 8.5-154.5-142.1 122.1 43.5 22.3 64.0 36 41 A I E -AB 45 95A 0 9,-3.3 8,-2.8 -2,-0.3 9,-1.1 -0.854 14.4-173.2-102.5 131.9 45.3 21.5 67.3 37 42 A V E -AB 43 94A 2 57,-2.8 57,-2.6 -2,-0.4 6,-0.2 -0.963 10.9-142.0-127.6 139.6 44.7 23.9 70.3 38 43 A N > - 0 0 40 4,-2.5 3,-2.2 -2,-0.4 55,-0.1 -0.244 40.7 -85.3 -92.6-177.7 46.3 24.0 73.7 39 44 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 54,-0.1 0.696 127.5 59.1 -61.4 -20.4 45.0 24.8 77.2 40 45 A E T 3 S- 0 0 123 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.328 116.8-113.0 -87.8 4.4 45.6 28.5 76.5 41 46 A N S < S+ 0 0 57 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.829 73.9 137.0 62.4 32.9 43.3 28.4 73.4 42 47 A K - 0 0 42 -4,-0.1 -4,-2.5 784,-0.0 2,-0.4 -0.880 60.6-113.3-107.8 143.6 46.3 29.0 71.2 43 48 A I E +A 37 0A 40 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.647 35.8 171.8 -78.8 124.7 46.7 27.1 67.9 44 49 A V E + 0 0 46 -8,-2.8 2,-0.3 -2,-0.4 -7,-0.2 0.395 63.7 15.1-112.9 -2.3 49.7 24.8 68.1 45 50 A G E -A 36 0A 5 -9,-1.1 -9,-3.3 2,-0.0 2,-0.3 -0.879 54.3-172.6-173.8 136.8 49.3 22.8 64.8 46 51 A I E +A 35 0A 19 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.999 15.0 167.6-137.0 140.9 47.4 22.9 61.5 47 52 A G E -A 34 0A 2 -13,-2.2 -13,-2.4 -2,-0.3 2,-0.3 -0.981 17.2-168.8-148.6 160.0 47.1 20.3 58.7 48 53 A Y E -A 33 0A 46 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.943 41.9 -86.5-139.5 164.7 45.3 19.2 55.6 49 54 A N S S+ 0 0 7 -17,-1.5 -23,-0.4 -2,-0.3 -22,-0.4 -0.534 70.1 108.7 -75.3 134.0 45.3 16.1 53.5 50 55 A G B -E 78 0B 3 28,-2.1 28,-3.1 -2,-0.3 3,-0.1 -0.979 65.7 -55.0 179.1-178.6 48.1 15.8 50.9 51 56 A M - 0 0 13 -2,-0.3 26,-0.1 26,-0.2 3,-0.1 -0.339 68.4 -84.1 -77.6 158.4 51.3 14.2 49.7 52 57 A P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.157 61.1 -73.1 -63.4 163.9 54.4 14.3 52.0 53 58 A N T 3 S+ 0 0 74 1,-0.3 3,-0.1 212,-0.2 218,-0.1 -0.264 120.6 18.6 -56.9 136.8 56.7 17.2 52.0 54 59 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.317 98.5 117.2 83.7 -6.1 58.9 17.6 48.9 55 60 A C < - 0 0 13 -3,-2.0 2,-0.3 243,-0.1 -1,-0.3 -0.788 65.3-121.5-102.7 135.8 56.6 15.3 46.9 56 61 A S >> - 0 0 50 -2,-0.4 3,-1.6 1,-0.1 4,-1.6 -0.544 3.4-146.8 -86.0 136.2 54.8 16.7 43.9 57 62 A D T 34 S+ 0 0 32 -2,-0.3 -1,-0.1 1,-0.3 5,-0.1 0.452 107.5 52.3 -74.6 -2.9 51.0 16.7 43.5 58 63 A D T 34 S+ 0 0 110 3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 -0.085 108.6 49.6-116.1 27.9 51.8 16.2 39.8 59 64 A V T <4 S+ 0 0 90 -3,-1.6 -2,-0.2 1,-0.3 -4,-0.0 0.525 102.2 58.5-130.1 -28.2 54.1 13.2 40.4 60 65 A L S < S- 0 0 7 -4,-1.6 -1,-0.3 1,-0.0 2,-0.1 -0.815 91.8-104.9-103.6 148.8 52.1 10.9 42.6 61 66 A P - 0 0 33 0, 0.0 15,-0.1 0, 0.0 11,-0.1 -0.418 20.9-165.6 -78.1 145.8 48.7 9.6 41.5 62 67 A W + 0 0 19 -2,-0.1 -33,-0.2 10,-0.1 10,-0.1 0.450 49.8 117.2-104.8 -4.5 45.4 10.9 43.0 63 68 A R - 0 0 155 8,-0.3 10,-2.0 1,-0.1 11,-0.3 -0.308 55.2-148.0 -72.3 151.1 43.0 8.2 41.7 64 69 A R S S+ 0 0 132 8,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.700 78.6 37.9 -92.2 -24.2 41.1 6.0 44.2 65 70 A T + 0 0 121 6,-0.1 2,-0.3 8,-0.0 -1,-0.1 -0.973 61.8 140.0-130.8 145.7 41.0 2.7 42.2 66 71 A A - 0 0 43 -2,-0.3 6,-0.1 1,-0.1 3,-0.0 -0.950 58.5-103.7-166.0 168.7 43.4 1.0 39.9 67 72 A E S S+ 0 0 116 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.946 112.6 46.3 -64.2 -48.6 44.7 -2.5 39.0 68 73 A N S > S- 0 0 65 1,-0.1 3,-2.3 -3,-0.1 -1,-0.2 -0.856 78.7-142.4 -99.3 126.4 47.9 -1.9 41.0 69 74 A K G > S+ 0 0 107 -2,-0.5 3,-2.0 1,-0.3 5,-0.1 0.801 100.6 67.5 -51.7 -34.4 47.6 -0.3 44.4 70 75 A L G 3 S+ 0 0 24 1,-0.3 -1,-0.3 4,-0.1 -3,-0.0 0.609 92.8 60.3 -66.1 -13.7 50.8 1.7 43.7 71 76 A D G < S+ 0 0 80 -3,-2.3 -8,-0.3 -11,-0.1 -1,-0.3 0.269 96.5 77.6 -94.8 7.6 48.8 3.6 41.0 72 77 A T S < S- 0 0 7 -3,-2.0 -8,-0.2 -8,-0.1 4,-0.2 -0.707 88.1-116.0-110.5 167.8 46.3 4.9 43.7 73 78 A K S >> S+ 0 0 15 -10,-2.0 4,-2.2 -2,-0.2 3,-1.8 0.700 94.9 85.2 -70.9 -21.4 46.8 7.7 46.2 74 79 A Y T 34 S+ 0 0 113 -11,-0.3 -1,-0.2 1,-0.3 -4,-0.1 0.821 83.1 52.2 -64.6 -40.5 46.5 5.5 49.3 75 80 A P T 34 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.665 123.6 30.9 -62.1 -12.6 50.1 4.3 49.6 76 81 A Y T <4 S+ 0 0 7 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.689 89.3 103.8-121.0 -29.3 51.3 7.9 49.5 77 82 A V < - 0 0 8 -4,-2.2 2,-0.5 -26,-0.1 -26,-0.2 -0.303 51.9-146.9 -78.3 144.0 48.7 10.3 51.0 78 83 A C B -E 50 0B 0 -28,-3.1 -28,-2.1 -30,-0.1 -1,-0.1 -0.938 19.0-129.9-104.9 128.5 49.0 12.0 54.4 79 84 A H > - 0 0 78 -2,-0.5 4,-2.0 -30,-0.2 -31,-0.2 -0.318 24.1-110.0 -73.5 159.7 45.8 12.7 56.4 80 85 A A H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -46,-0.2 0.844 116.7 55.2 -57.5 -38.6 45.1 16.1 57.9 81 86 A E H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 106.7 49.9 -66.0 -44.3 45.5 14.8 61.5 82 87 A L H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.946 112.5 47.9 -55.9 -50.1 49.0 13.4 60.7 83 88 A N H X S+ 0 0 14 -4,-2.0 4,-1.4 1,-0.2 -37,-0.2 0.861 109.8 51.4 -62.8 -38.7 50.1 16.7 59.2 84 89 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -38,-0.2 0.878 113.2 45.1 -65.9 -40.3 48.7 18.9 62.0 85 90 A I H < S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 113.2 49.5 -70.2 -42.8 50.6 16.8 64.7 86 91 A M H < 0 0 33 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.722 360.0 360.0 -70.5 -21.8 53.8 16.7 62.6 87 92 A N < 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.213 360.0 360.0 -82.6 360.0 53.4 20.5 62.3 88 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 89 97 A D 0 0 158 0, 0.0 24,-0.1 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 177.1 54.7 19.3 72.2 90 98 A V > + 0 0 19 22,-0.5 3,-1.1 3,-0.1 2,-0.5 -0.146 360.0 144.5-123.6 37.0 50.9 19.0 71.8 91 99 A K T 3 + 0 0 108 1,-0.3 23,-0.2 23,-0.1 22,-0.2 -0.682 69.5 18.1 -89.4 120.7 50.2 17.2 75.1 92 100 A G T 3 S+ 0 0 44 21,-2.5 -1,-0.3 -2,-0.5 22,-0.2 0.606 102.1 130.1 92.2 20.7 46.9 18.1 76.9 93 101 A C < - 0 0 5 -3,-1.1 22,-2.3 20,-0.4 23,-0.9 -0.451 52.9-128.7-102.6 172.8 45.6 19.6 73.6 94 102 A S E -Bc 37 116A 25 -57,-2.6 -57,-2.8 21,-0.2 2,-0.5 -0.941 13.7-144.7-120.2 144.6 42.4 19.4 71.6 95 103 A M E -Bc 36 117A 0 21,-3.0 23,-3.3 -2,-0.4 2,-0.5 -0.955 3.0-157.9-113.6 122.0 42.0 18.6 67.9 96 104 A Y E +Bc 35 118A 8 -61,-3.2 -61,-2.6 -2,-0.5 2,-0.3 -0.853 23.8 176.0 -88.6 126.3 39.3 20.2 65.7 97 105 A V E -Bc 34 119A 0 21,-2.7 23,-1.6 -2,-0.5 -63,-0.2 -0.993 38.1-140.9-136.3 143.1 38.7 18.0 62.6 98 106 A A E S+ 0 0 1 -65,-1.8 23,-2.5 -2,-0.3 2,-0.4 0.876 93.9 31.4 -65.4 -36.3 36.3 18.2 59.7 99 107 A L E S- c 0 121A 28 -66,-0.3 23,-0.2 21,-0.2 -1,-0.2 -0.966 96.8 -96.5-131.6 137.2 35.9 14.4 59.7 100 108 A F - 0 0 14 21,-2.6 24,-0.1 -2,-0.4 -2,-0.0 -0.224 56.6-102.1 -48.9 131.7 36.1 11.8 62.5 101 109 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 -0.325 27.8-123.2 -65.4 141.5 39.7 10.4 62.5 102 110 A C > - 0 0 26 -3,-0.1 4,-2.1 1,-0.1 28,-0.1 -0.218 36.9 -97.9 -66.1 167.8 40.5 7.0 61.0 103 111 A N H > S+ 0 0 18 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.783 123.2 55.9 -64.3 -29.6 42.2 4.4 63.3 104 112 A E H > S+ 0 0 71 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.897 110.3 44.8 -70.3 -40.2 45.7 5.2 62.0 105 113 A C H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.861 107.0 61.0 -67.4 -35.2 45.2 8.9 62.9 106 114 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.877 102.3 52.4 -58.6 -39.8 43.7 7.8 66.2 107 115 A K H X S+ 0 0 6 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.934 112.3 43.9 -59.3 -49.7 47.1 6.1 67.0 108 116 A L H X S+ 0 0 10 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.882 111.9 53.4 -64.3 -41.9 49.0 9.3 66.3 109 117 A I H <>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 4,-0.4 0.931 112.7 44.5 -59.6 -46.3 46.5 11.4 68.2 110 118 A I H ><5S+ 0 0 9 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.954 114.3 47.4 -63.4 -51.2 46.9 9.2 71.3 111 119 A Q H 3<5S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.2 58.8 -63.7 -29.8 50.7 9.0 71.1 112 120 A A T 3<5S- 0 0 8 -4,-2.4 -22,-0.5 -5,-0.2 -1,-0.3 0.573 115.0-118.7 -71.2 -12.3 50.8 12.8 70.6 113 121 A G T < 5 + 0 0 19 -3,-1.7 -21,-2.5 -4,-0.4 -20,-0.4 0.672 56.3 158.3 80.9 18.3 49.0 13.1 74.0 114 122 A I < - 0 0 1 -5,-2.0 -1,-0.3 -23,-0.2 -20,-0.2 -0.595 22.7-168.5 -72.3 135.0 46.0 14.9 72.6 115 123 A K + 0 0 100 -22,-2.3 28,-2.5 -2,-0.3 2,-0.3 0.469 61.9 40.2-107.0 -5.3 43.1 14.4 75.0 116 124 A E E -cd 94 143A 41 -23,-0.9 -21,-3.0 26,-0.2 2,-0.5 -0.982 53.6-164.6-153.4 132.6 40.1 15.6 73.0 117 125 A V E -cd 95 144A 0 26,-2.5 28,-2.1 -2,-0.3 2,-0.6 -0.982 6.5-168.9-120.0 123.9 38.8 15.3 69.4 118 126 A I E -cd 96 145A 0 -23,-3.3 -21,-2.7 -2,-0.5 2,-0.3 -0.954 16.1-173.2-116.0 112.3 36.1 17.7 68.2 119 127 A F E -cd 97 146A 12 26,-1.8 28,-3.5 -2,-0.6 -21,-0.2 -0.798 28.1-159.6-114.8 148.9 34.7 16.6 64.8 120 128 A M E S+ 0 0 8 -23,-1.6 2,-0.4 -2,-0.3 -21,-0.2 0.894 82.6 30.6 -87.0 -51.6 32.2 18.1 62.3 121 129 A S E +c 99 0A 5 -23,-2.5 -21,-2.6 -24,-0.2 -1,-0.3 -0.918 44.3 176.9-115.9 136.3 31.2 14.9 60.4 122 130 A D > + 0 0 39 -2,-0.4 3,-1.6 -23,-0.2 -23,-0.1 -0.355 33.3 144.6-121.9 49.5 31.0 11.3 61.5 123 131 A K T 3 S+ 0 0 107 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.732 70.2 45.9 -62.8 -29.7 29.7 10.2 58.1 124 132 A Y T > + 0 0 131 1,-0.2 3,-2.5 -3,-0.1 6,-0.4 -0.075 69.7 136.9-107.1 31.5 31.6 6.8 58.2 125 133 A H T < S+ 0 0 75 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.828 72.3 50.9 -46.4 -41.7 30.7 5.9 61.8 126 134 A D T 3 S+ 0 0 146 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.504 86.9 112.6 -81.5 -4.7 29.9 2.3 60.9 127 135 A S S <> S- 0 0 43 -3,-2.5 4,-2.3 1,-0.1 5,-0.1 -0.244 76.3-123.9 -65.0 155.5 33.2 1.8 59.1 128 136 A D H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.916 113.4 54.7 -62.8 -44.6 35.9 -0.6 60.5 129 137 A E H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 112.2 40.8 -55.8 -49.0 38.3 2.3 60.5 130 138 A A H > S+ 0 0 8 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.884 114.1 53.5 -70.2 -37.6 36.0 4.6 62.6 131 139 A T H X S+ 0 0 45 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.906 110.8 46.2 -63.6 -43.2 35.0 1.7 64.9 132 140 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.878 111.2 54.1 -63.1 -39.7 38.7 0.9 65.6 133 141 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.936 108.0 48.2 -60.7 -48.7 39.3 4.6 66.2 134 142 A R H X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 111.2 51.0 -58.7 -42.8 36.5 4.9 68.8 135 143 A L H X S+ 0 0 71 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.907 110.9 48.2 -62.7 -43.7 37.7 1.8 70.6 136 144 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 113.3 47.3 -61.5 -48.0 41.3 3.2 70.8 137 145 A F H X>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-1.0 0.888 111.4 51.5 -61.2 -42.8 40.1 6.6 72.1 138 146 A N H ><5S+ 0 0 105 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.947 113.6 43.7 -58.8 -48.5 37.8 4.9 74.7 139 147 A M H 3<5S+ 0 0 62 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.7 48.0 -65.4 -39.5 40.7 2.8 76.0 140 148 A A H 3<5S- 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.593 112.6-117.2 -78.0 -10.9 43.2 5.7 75.9 141 149 A G T <<5 + 0 0 50 -4,-1.0 2,-0.5 -3,-0.6 -3,-0.2 0.842 61.0 152.7 74.5 33.7 40.7 8.1 77.7 142 150 A V < - 0 0 6 -5,-2.9 -1,-0.3 -6,-0.2 -26,-0.2 -0.866 39.5-133.1 -96.5 124.5 40.5 10.5 74.7 143 151 A T E -d 116 0A 73 -28,-2.5 -26,-2.5 -2,-0.5 2,-0.4 -0.465 21.1-172.9 -72.0 142.8 37.3 12.4 74.4 144 152 A F E +d 117 0A 57 -28,-0.2 2,-0.3 -2,-0.1 -26,-0.2 -0.983 11.1 164.2-136.3 134.3 35.5 12.7 71.1 145 153 A R E -d 118 0A 107 -28,-2.1 -26,-1.8 -2,-0.4 2,-0.3 -0.995 37.3-105.6-148.3 148.8 32.4 14.9 70.6 146 154 A K E -d 119 0A 122 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.558 33.1-124.7 -79.6 134.5 30.5 16.4 67.6 147 155 A F - 0 0 10 -28,-3.5 -1,-0.1 -2,-0.3 -29,-0.0 -0.648 19.5-164.8 -77.1 129.0 30.9 20.0 66.8 148 156 A I - 0 0 134 -2,-0.4 2,-0.1 0, 0.0 -28,-0.0 -0.903 17.6-150.4-114.6 97.9 27.6 22.0 66.8 149 157 A P - 0 0 33 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.356 17.8-140.0 -74.3 149.2 28.3 25.3 65.0 150 158 A K S S+ 0 0 154 1,-0.1 2,-0.3 -2,-0.1 0, 0.0 0.737 92.5 21.6 -70.6 -28.2 26.5 28.6 65.7 151 159 A C - 0 0 53 1,-0.1 -1,-0.1 3,-0.0 788,-0.1 -0.952 68.0-137.9-139.1 157.7 26.5 29.3 61.9 152 160 A S S S+ 0 0 52 -2,-0.3 787,-2.4 1,-0.2 788,-0.7 0.670 83.9 26.2 -90.4 -19.6 26.9 27.2 58.8 153 161 A K E -F 938 0C 109 785,-0.2 2,-0.4 786,-0.1 785,-0.2 -0.998 54.9-159.5-152.3 152.1 29.3 29.5 56.9 154 162 A I E -F 937 0C 9 783,-2.5 783,-3.2 -2,-0.3 2,-0.5 -0.991 14.6-147.2-131.6 133.2 31.9 32.3 57.3 155 163 A V E -F 936 0C 60 -2,-0.4 2,-0.7 781,-0.2 781,-0.2 -0.903 1.1-157.8-108.4 125.1 33.0 34.8 54.7 156 164 A I E -F 935 0C 0 779,-3.4 779,-2.1 -2,-0.5 2,-0.6 -0.924 14.4-170.1 -94.9 116.6 36.5 36.1 54.5 157 165 A D E > -F 934 0C 47 -2,-0.7 3,-1.2 777,-0.2 777,-0.2 -0.931 15.2-170.2-113.4 110.2 36.4 39.5 52.7 158 166 A F G > S+ 0 0 1 775,-2.3 3,-0.6 -2,-0.6 776,-0.1 0.690 87.4 60.1 -69.7 -19.8 39.8 40.9 51.7 159 167 A D G 3 S+ 0 0 100 774,-0.6 -1,-0.2 1,-0.2 775,-0.1 0.460 79.8 88.1 -86.8 -1.5 38.2 44.2 50.7 160 168 A S G < 0 0 86 -3,-1.2 -1,-0.2 0, 0.0 -2,-0.1 0.692 360.0 360.0 -67.5 -20.7 36.8 44.8 54.2 161 169 A I < 0 0 43 -3,-0.6 719,-0.1 -4,-0.2 652,-0.1 -0.078 360.0 360.0 -78.3 360.0 40.1 46.5 55.3 162 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 163 11 B D 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.5 88.1 -2.9 70.3 164 12 B Y - 0 0 80 176,-0.1 2,-0.3 178,-0.0 176,-0.2 -0.884 360.0-102.3-114.2 153.1 85.6 -0.1 71.1 165 13 B L - 0 0 14 174,-3.4 2,-0.1 -2,-0.3 177,-0.0 -0.556 37.3-130.7 -73.0 133.8 82.0 0.1 69.7 166 14 B E > - 0 0 56 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.425 23.0-106.3 -83.3 161.3 81.5 2.6 66.8 167 15 B W H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 118.7 47.5 -55.4 -53.0 78.7 5.2 66.8 168 16 B P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.907 113.7 47.4 -56.2 -45.6 76.6 3.4 64.1 169 17 B E H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.875 112.1 52.3 -58.5 -41.4 76.9 0.0 65.9 170 18 B Y H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.945 111.4 44.4 -60.4 -51.1 76.0 1.7 69.1 171 19 B F H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.863 114.7 47.8 -67.0 -38.3 72.9 3.4 67.7 172 20 B M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.882 110.8 53.7 -68.0 -36.6 71.7 0.2 65.9 173 21 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.917 106.2 52.0 -59.0 -44.5 72.4 -1.6 69.2 174 22 B V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.886 109.3 50.6 -60.2 -38.7 70.2 0.9 71.0 175 23 B A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.920 112.9 44.7 -65.0 -44.9 67.4 0.2 68.5 176 24 B F H X S+ 0 0 14 -4,-2.2 4,-0.6 2,-0.2 3,-0.2 0.892 112.6 51.9 -67.6 -39.9 67.7 -3.6 68.9 177 25 B L H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.924 105.2 56.2 -57.9 -45.0 67.8 -3.2 72.7 178 26 B S H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 4,-0.2 0.800 94.7 68.0 -59.6 -32.5 64.7 -1.1 72.6 179 27 B A H >< S+ 0 0 11 -4,-1.2 3,-1.9 1,-0.3 -1,-0.3 0.791 88.0 66.1 -54.1 -32.4 62.9 -4.0 70.9 180 28 B Q T << S+ 0 0 69 -3,-1.5 144,-3.1 -4,-0.6 -1,-0.3 0.611 88.0 67.7 -74.3 -11.8 63.1 -6.0 74.1 181 29 B R T < S+ 0 0 12 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.616 80.0 112.6 -69.8 -18.8 60.8 -3.5 75.7 182 30 B S < - 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