==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION/DNA 18-APR-09 3H4B . COMPND 2 MOLECULE: DNA POLYMERASE IOTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.JAIN,D.T.NAIR,R.E.JOHNSON,L.PRAKASH,S.PRAKASH,A.K.AGGARWAL . 373 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.5 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 . 29 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 2 0 3 1 2 0 0 1 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 1 1 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 0 1 1 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 25 A A 0 0 162 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.3 27.2 28.5 -4.4 2 26 A S + 0 0 125 1,-0.2 2,-0.7 0, 0.0 0, 0.0 0.017 360.0 61.8-178.0 -57.0 23.9 28.3 -6.2 3 27 A S - 0 0 37 106,-0.0 2,-0.2 2,-0.0 -1,-0.2 -0.838 66.0-165.1 -98.8 115.5 22.0 25.1 -5.6 4 28 A R - 0 0 48 -2,-0.7 2,-0.5 173,-0.5 145,-0.0 -0.583 18.7-150.2-100.0 160.6 21.0 24.4 -2.0 5 29 A V + 0 0 0 -2,-0.2 103,-2.0 172,-0.1 104,-0.4 -0.917 28.2 177.8-128.0 98.7 19.8 21.2 -0.2 6 30 A I E -AB 107 176A 0 170,-3.3 170,-2.2 -2,-0.5 2,-0.4 -0.744 13.6-155.9-104.3 151.5 17.6 22.3 2.7 7 31 A V E -AB 106 175A 0 99,-1.9 99,-1.8 -2,-0.3 2,-0.6 -0.992 3.6-156.2-131.6 136.1 15.8 20.1 5.1 8 32 A H E -AB 105 174A 1 166,-2.7 166,-1.1 -2,-0.4 2,-0.5 -0.944 9.5-164.5-112.7 115.4 12.7 20.9 7.2 9 33 A V E +AB 104 173A 1 95,-3.0 95,-2.1 -2,-0.6 2,-0.4 -0.896 9.4 178.7-102.9 123.2 12.2 18.9 10.4 10 34 A D E -AB 103 172A 33 162,-1.8 162,-2.7 -2,-0.5 93,-0.2 -0.940 20.0-139.1-130.2 109.0 8.7 19.0 11.9 11 35 A L E > - B 0 171A 3 91,-2.0 3,-0.8 -2,-0.4 160,-0.2 -0.419 24.1-112.1 -70.6 136.6 7.9 17.0 15.1 12 36 A D T 3 S- 0 0 8 158,-1.0 5,-0.3 1,-0.3 158,-0.2 -0.438 83.9 -30.0 -69.0 133.6 4.6 15.2 15.4 13 37 A C T >> S- 0 0 16 -2,-0.2 4,-2.3 1,-0.1 3,-1.0 0.741 80.0-165.1 19.6 54.0 2.2 16.6 18.0 14 38 A F H <> S+ 0 0 4 -3,-0.8 4,-1.6 1,-0.3 5,-0.1 0.727 76.2 47.9 -30.1 -55.3 5.3 17.7 20.0 15 39 A Y H 3> S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.915 112.6 47.9 -62.4 -43.6 3.6 18.3 23.3 16 40 A A H <> S+ 0 0 0 -3,-1.0 4,-3.2 1,-0.2 5,-0.3 0.934 108.6 56.8 -61.4 -42.2 1.7 15.1 23.4 17 41 A Q H X S+ 0 0 18 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.853 110.1 44.1 -57.8 -35.1 4.9 13.3 22.4 18 42 A V H X S+ 0 0 10 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.925 113.6 49.0 -76.2 -45.4 6.6 14.8 25.5 19 43 A E H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.908 110.8 52.1 -59.3 -42.8 3.7 14.1 27.9 20 44 A M H < S+ 0 0 28 -4,-3.2 7,-0.3 1,-0.2 6,-0.3 0.869 106.6 51.4 -63.6 -38.7 3.5 10.5 26.6 21 45 A I H < S+ 0 0 91 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.883 110.9 52.8 -66.1 -33.7 7.2 9.9 27.2 22 46 A S H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.998 125.6 17.6 -61.3 -72.9 6.5 11.2 30.7 23 47 A N S >< S- 0 0 68 -4,-2.2 3,-2.2 1,-0.2 -1,-0.3 -0.841 71.1-168.0-107.4 95.6 3.6 8.9 31.7 24 48 A P G > S+ 0 0 78 0, 0.0 3,-3.7 0, 0.0 -1,-0.2 0.795 79.7 77.1 -48.8 -38.8 3.6 5.9 29.2 25 49 A E G 3 S+ 0 0 139 1,-0.3 -5,-0.1 3,-0.1 4,-0.1 0.700 86.2 67.0 -49.2 -17.9 0.2 4.8 30.4 26 50 A L G X S+ 0 0 21 -3,-2.2 3,-0.9 -6,-0.3 -1,-0.3 0.670 79.5 102.3 -78.9 -18.4 -1.0 7.7 28.2 27 51 A K T < S+ 0 0 122 -3,-3.7 2,-1.5 -7,-0.3 16,-0.0 -0.053 86.0 14.4 -59.7 169.4 0.1 6.0 25.0 28 52 A D T 3 S+ 0 0 117 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.339 108.8 101.1 46.3 -11.3 -2.4 4.3 22.7 29 53 A K S < S- 0 0 87 -2,-1.5 2,-0.3 -3,-0.9 17,-0.2 -0.829 94.3 -96.7 -98.8 138.2 -5.0 6.2 24.7 30 54 A P - 0 0 13 0, 0.0 38,-3.2 0, 0.0 2,-0.5 -0.366 51.0-171.6 -58.1 113.5 -6.4 9.4 23.1 31 55 A L E -f 68 0B 0 -2,-0.3 12,-2.7 36,-0.2 2,-0.4 -0.942 11.1-178.3-116.4 125.9 -4.3 12.2 24.7 32 56 A G E -fG 69 42B 0 36,-3.3 38,-1.6 -2,-0.5 2,-0.5 -0.949 20.9-136.5-120.5 140.0 -5.0 15.9 24.3 33 57 A V E -fG 70 41B 0 8,-3.9 8,-1.0 -2,-0.4 7,-1.0 -0.850 24.3-154.4 -99.2 129.8 -2.8 18.6 25.8 34 58 A Q E +fG 71 39B 49 36,-3.4 38,-3.6 -2,-0.5 2,-0.4 -0.839 22.4 178.6-112.2 141.5 -4.8 21.5 27.4 35 59 A Q E > S- G 0 38B 56 3,-2.1 3,-1.7 -2,-0.4 2,-0.2 -0.962 74.3 -46.7-135.2 111.7 -4.1 25.1 28.0 36 60 A K T 3 S- 0 0 62 -2,-0.4 37,-0.0 1,-0.3 36,-0.0 -0.434 126.3 -18.8 60.4-123.9 -7.0 26.9 29.7 37 61 A Y T 3 S+ 0 0 153 -2,-0.2 20,-1.5 -3,-0.1 2,-0.3 0.021 120.8 93.3-103.2 28.5 -10.0 25.9 27.7 38 62 A L E < -GH 35 56B 47 -3,-1.7 -3,-2.1 18,-0.2 2,-0.8 -0.903 65.4-144.5-124.8 151.5 -8.1 24.7 24.7 39 63 A V E -GH 34 55B 0 16,-1.5 15,-1.6 -2,-0.3 16,-1.0 -0.857 24.6-178.7-109.6 87.9 -6.7 21.5 23.4 40 64 A V E - 0 0 23 -7,-1.0 2,-0.3 -2,-0.8 -1,-0.2 0.861 63.8 -8.0 -58.5 -40.3 -3.6 22.9 21.8 41 65 A T E -G 33 0B 13 -8,-1.0 -8,-3.9 12,-0.2 2,-0.3 -0.963 61.6-170.2-153.1 166.0 -2.4 19.5 20.6 42 66 A C E -G 32 0B 0 -2,-0.3 -10,-0.3 -10,-0.3 -26,-0.1 -0.984 32.3 -95.3-157.3 156.3 -3.2 15.8 20.9 43 67 A N >> - 0 0 7 -12,-2.7 4,-1.5 -2,-0.3 3,-0.7 -0.279 44.3-104.8 -70.6 163.9 -1.7 12.4 19.9 44 68 A Y H 3> S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.819 117.0 68.1 -60.8 -33.0 -2.8 10.8 16.7 45 69 A E H 3> S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.933 107.3 41.2 -50.5 -47.8 -5.0 8.2 18.5 46 70 A A H <4>S+ 0 0 0 -3,-0.7 5,-2.0 -17,-0.2 3,-0.4 0.836 107.4 59.6 -70.3 -37.0 -7.2 11.2 19.4 47 71 A R H ><5S+ 0 0 50 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.851 100.6 58.7 -60.6 -33.2 -7.0 12.9 16.0 48 72 A K H 3<5S+ 0 0 159 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.875 102.7 53.1 -61.9 -37.8 -8.5 9.7 14.6 49 73 A L T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.254 132.3 -89.0 -83.8 12.1 -11.5 10.3 16.9 50 74 A G T < 5S+ 0 0 21 -3,-1.5 2,-0.6 1,-0.3 -3,-0.2 0.373 77.4 144.3 100.6 -6.3 -12.1 13.8 15.7 51 75 A V < - 0 0 0 -5,-2.0 2,-0.4 -7,-0.1 -1,-0.3 -0.577 28.2-170.6 -72.7 114.2 -9.9 15.8 18.0 52 76 A K - 0 0 143 -2,-0.6 -13,-0.2 1,-0.1 3,-0.1 -0.850 31.2 -94.7-106.2 143.6 -8.5 18.7 16.0 53 77 A K S S+ 0 0 101 -2,-0.4 -13,-0.2 1,-0.2 -12,-0.2 -0.139 107.8 22.2 -55.5 151.1 -5.7 21.0 17.4 54 78 A L S S+ 0 0 122 -15,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.969 90.8 149.6 52.0 59.9 -6.8 24.2 19.0 55 79 A M E -H 39 0B 25 -16,-1.0 -16,-1.5 -3,-0.1 -1,-0.2 -0.964 55.0 -96.8-123.9 138.9 -10.3 22.8 19.7 56 80 A N E > -H 38 0B 70 -2,-0.4 4,-1.7 -18,-0.2 -18,-0.2 -0.218 30.9-123.5 -52.6 140.6 -12.6 23.8 22.7 57 81 A V H > S+ 0 0 20 -20,-1.5 4,-1.6 2,-0.2 5,-0.2 0.888 113.6 47.1 -54.5 -39.3 -12.3 21.3 25.5 58 82 A R H >> S+ 0 0 172 2,-0.2 4,-2.8 -21,-0.2 3,-1.1 0.995 109.9 47.7 -65.3 -64.1 -16.1 20.9 25.2 59 83 A D H 34 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.750 114.3 56.2 -47.8 -22.1 -16.3 20.4 21.4 60 84 A A H 3X S+ 0 0 0 -4,-1.7 4,-0.6 1,-0.1 3,-0.5 0.837 110.5 37.1 -81.0 -39.3 -13.4 18.0 22.2 61 85 A K H << S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-1.1 -3,-0.2 0.759 111.7 58.2 -86.4 -26.0 -15.1 15.8 24.7 62 86 A E T < S+ 0 0 146 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.156 113.1 43.4 -86.9 20.1 -18.5 15.8 23.0 63 87 A K T 4 S+ 0 0 136 -3,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.404 136.2 14.0-130.1 -24.9 -16.5 14.5 20.0 64 88 A C >< - 0 0 2 -4,-0.6 2,-3.3 -14,-0.1 3,-2.5 -0.524 68.4-170.2-156.0 74.9 -14.5 12.0 22.1 65 89 A P T 3 S+ 0 0 111 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.085 86.2 52.1 -64.1 43.8 -16.1 11.6 25.5 66 90 A Q T 3 S+ 0 0 124 -2,-3.3 -5,-0.1 2,-0.0 0, 0.0 0.340 72.5 135.8-153.5 -14.3 -13.0 9.6 26.6 67 91 A L < - 0 0 14 -3,-2.5 2,-0.4 -7,-0.2 -36,-0.2 -0.132 50.1-134.7 -46.2 130.7 -10.1 11.9 25.7 68 92 A V E -f 31 0B 50 -38,-3.2 -36,-3.3 -42,-0.1 2,-0.4 -0.793 21.9-159.0 -92.5 134.2 -7.5 12.1 28.4 69 93 A L E -f 32 0B 49 -2,-0.4 2,-0.3 -38,-0.2 -36,-0.2 -0.930 13.0-177.6-118.8 138.4 -6.3 15.7 29.1 70 94 A V E -f 33 0B 29 -38,-1.6 -36,-3.4 -2,-0.4 2,-0.4 -0.922 34.9-106.0-125.6 153.7 -3.1 16.9 30.7 71 95 A N E +f 34 0B 89 -2,-0.3 -36,-0.2 -38,-0.2 3,-0.2 -0.684 32.1 176.5 -85.3 131.1 -2.2 20.5 31.3 72 96 A G + 0 0 0 -38,-3.6 -37,-0.1 -2,-0.4 -1,-0.1 -0.113 45.1 114.4-122.9 35.1 0.4 22.1 29.1 73 97 A E + 0 0 85 -39,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.685 67.4 70.8 -76.8 -18.8 0.4 25.6 30.4 74 98 A D - 0 0 100 -3,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.875 64.1-171.9-102.7 105.2 3.9 25.2 31.6 75 99 A L > + 0 0 53 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.162 53.8 107.8 -83.6 20.3 6.2 25.0 28.6 76 100 A T H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 82.5 36.3 -64.5 -52.1 9.3 24.0 30.6 77 101 A R H > S+ 0 0 109 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.884 118.3 51.6 -69.8 -38.3 9.7 20.4 29.6 78 102 A Y H > S+ 0 0 2 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.941 112.1 46.8 -61.3 -48.7 8.6 21.1 26.0 79 103 A R H X S+ 0 0 37 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.937 111.0 51.7 -58.9 -49.5 11.1 23.9 25.7 80 104 A E H X S+ 0 0 114 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.898 113.2 44.6 -57.2 -39.3 13.8 21.8 27.2 81 105 A M H X S+ 0 0 37 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.851 106.2 61.6 -73.2 -33.7 13.1 19.0 24.7 82 106 A S H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.872 107.4 44.2 -59.9 -38.9 12.8 21.6 21.8 83 107 A Y H X S+ 0 0 59 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.792 106.5 59.3 -77.5 -28.3 16.5 22.6 22.4 84 108 A K H X S+ 0 0 110 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.912 109.1 46.2 -64.8 -38.1 17.6 19.0 22.8 85 109 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.946 112.6 48.4 -68.5 -48.7 16.3 18.4 19.2 86 110 A T H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.934 111.2 51.0 -56.7 -48.0 17.9 21.6 17.8 87 111 A E H X S+ 0 0 118 -4,-2.9 4,-1.2 1,-0.2 3,-0.2 0.935 107.4 51.9 -55.9 -51.4 21.3 20.7 19.4 88 112 A L H >X S+ 0 0 11 -4,-2.0 4,-1.0 1,-0.3 3,-0.6 0.902 111.8 47.6 -53.5 -42.0 21.3 17.2 18.0 89 113 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.830 104.3 60.7 -70.5 -28.7 20.6 18.7 14.5 90 114 A E H 3< S+ 0 0 61 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.753 97.0 62.5 -66.7 -24.0 23.3 21.2 15.0 91 115 A E H << S+ 0 0 159 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.944 103.2 46.1 -66.8 -48.7 25.7 18.3 15.3 92 116 A F H < S- 0 0 53 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.951 140.8 -8.1 -57.7 -51.8 25.0 17.1 11.8 93 117 A S < - 0 0 13 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.936 65.1-137.4-151.7 125.3 25.4 20.7 10.5 94 118 A P S S+ 0 0 85 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.779 83.0 85.5 -51.5 -38.2 25.8 23.9 12.6 95 119 A V + 0 0 50 12,-0.2 12,-1.6 176,-0.1 2,-0.4 -0.524 58.3 154.3 -78.0 90.4 23.5 26.1 10.6 96 120 A V E -C 106 0A 0 -2,-1.6 176,-2.2 10,-0.2 2,-0.5 -0.963 28.4-158.5-122.5 127.2 20.1 25.3 12.1 97 121 A E E -C 105 0A 35 8,-2.7 8,-2.7 -2,-0.4 2,-0.3 -0.899 10.3-147.6-107.7 126.9 17.0 27.6 12.2 98 122 A R E -C 104 0A 32 -2,-0.5 2,-0.4 6,-0.2 6,-0.3 -0.701 9.9-170.5 -90.6 141.7 14.3 27.0 14.8 99 123 A L - 0 0 78 4,-3.0 4,-0.3 -2,-0.3 3,-0.3 -0.815 66.1 -41.3-131.5 91.1 10.7 27.9 13.9 100 124 A G S S- 0 0 45 -2,-0.4 3,-0.4 1,-0.2 -1,-0.3 -0.336 95.2 -56.9 82.3-170.8 8.7 27.6 17.1 101 125 A F S S+ 0 0 59 1,-0.2 -1,-0.2 -3,-0.1 3,-0.0 0.727 135.7 41.7 -80.0 -21.5 9.3 24.8 19.6 102 126 A D S S+ 0 0 53 -3,-0.3 -91,-2.0 -91,-0.0 2,-0.4 0.290 100.7 75.1-111.9 13.4 8.7 22.0 17.1 103 127 A E E +A 10 0A 27 -3,-0.4 -4,-3.0 -4,-0.3 2,-0.3 -0.972 44.4 174.4-134.0 143.1 10.4 23.1 13.8 104 128 A N E -AC 9 98A 2 -95,-2.1 -95,-3.0 -2,-0.4 2,-0.4 -1.000 14.8-155.7-143.3 141.7 14.0 23.3 12.5 105 129 A F E -AC 8 97A 7 -8,-2.7 -8,-2.7 -2,-0.3 2,-0.4 -0.924 14.3-171.5-113.6 141.2 15.6 24.1 9.2 106 130 A V E -AC 7 96A 0 -99,-1.8 -99,-1.9 -2,-0.4 2,-1.1 -0.996 22.0-137.5-137.6 129.2 19.1 22.8 8.4 107 131 A D E +A 6 0A 33 -12,-1.6 3,-0.4 -2,-0.4 -12,-0.2 -0.770 25.8 173.8 -89.3 102.2 21.2 23.8 5.4 108 132 A L > + 0 0 0 -103,-2.0 4,-2.6 -2,-1.1 5,-0.3 0.344 47.4 106.6 -88.7 3.9 22.6 20.5 4.3 109 133 A T H > S+ 0 0 24 -104,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.899 82.0 42.3 -51.1 -50.6 24.2 22.0 1.2 110 134 A E H > S+ 0 0 165 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.835 115.1 51.7 -68.7 -31.7 27.8 21.8 2.5 111 135 A M H > S+ 0 0 30 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.872 106.0 52.3 -73.8 -38.0 27.3 18.3 3.9 112 136 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.882 108.5 53.0 -65.7 -37.5 25.9 16.8 0.7 113 137 A E H X S+ 0 0 57 -4,-1.5 4,-2.7 -5,-0.3 -2,-0.2 0.949 108.7 47.9 -62.2 -51.2 28.9 18.1 -1.2 114 138 A K H X S+ 0 0 145 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.922 113.7 48.1 -57.6 -45.2 31.4 16.5 1.2 115 139 A R H >X S+ 0 0 69 -4,-2.2 3,-1.5 1,-0.2 4,-0.5 0.947 111.1 49.9 -62.1 -48.1 29.5 13.2 1.1 116 140 A L H >< S+ 0 0 25 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.910 104.3 59.1 -56.8 -43.1 29.3 13.2 -2.7 117 141 A Q H 3< S+ 0 0 142 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.636 101.2 56.4 -62.6 -13.2 33.0 13.9 -3.0 118 142 A Q H << S+ 0 0 121 -3,-1.5 -1,-0.3 -4,-0.6 2,-0.2 0.571 89.0 95.6 -93.8 -11.5 33.7 10.7 -1.1 119 143 A L S << S- 0 0 56 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.0 -0.530 72.9-126.7 -80.8 146.9 31.8 8.6 -3.6 120 144 A Q > - 0 0 115 -2,-0.2 2,-4.6 1,-0.1 4,-1.5 -0.620 33.2 -93.2 -95.0 153.8 33.6 6.8 -6.4 121 145 A S T 4 S+ 0 0 139 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.179 123.0 35.4 -60.6 57.1 32.8 7.0 -10.2 122 146 A D T >4 S+ 0 0 65 -2,-4.6 3,-2.5 0, 0.0 4,-0.3 0.011 105.7 58.3-167.1 -65.5 30.6 3.9 -9.8 123 147 A E G >4 S+ 0 0 82 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.704 90.1 78.7 -54.6 -22.0 28.8 3.9 -6.5 124 148 A L G 3< S+ 0 0 66 -4,-1.5 -1,-0.3 1,-0.3 3,-0.1 0.583 90.1 55.0 -65.1 -7.8 27.3 7.2 -7.5 125 149 A S G < S+ 0 0 81 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.535 100.5 58.6 -98.6 -12.8 24.9 5.2 -9.6 126 150 A A S < S+ 0 0 71 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.311 75.7 129.1 -96.9 4.4 23.9 3.1 -6.6 127 151 A V - 0 0 14 -4,-0.2 2,-0.3 -3,-0.1 24,-0.0 -0.405 41.2-168.3 -61.0 134.9 22.7 6.3 -4.8 128 152 A T - 0 0 95 22,-0.1 26,-0.1 -2,-0.1 -2,-0.1 -0.958 20.4-112.4-132.8 150.3 19.2 5.7 -3.5 129 153 A V - 0 0 44 -2,-0.3 2,-0.5 24,-0.1 21,-0.1 -0.309 21.7-141.5 -73.9 160.8 16.4 7.8 -2.1 130 154 A S - 0 0 37 20,-0.2 2,-0.2 2,-0.2 27,-0.1 -0.918 65.5 -18.2-128.2 103.7 15.3 7.5 1.5 131 155 A G S S- 0 0 47 -2,-0.5 64,-0.2 64,-0.0 -2,-0.1 -0.641 107.9 -7.5 101.9-162.6 11.6 7.8 2.0 132 156 A H E -d 195 0A 61 62,-2.2 64,-1.3 -2,-0.2 2,-0.5 -0.234 49.9-147.6 -70.4 155.8 9.0 9.3 -0.2 133 157 A V E > -d 196 0A 23 62,-0.2 3,-1.7 -4,-0.1 64,-0.2 -0.999 36.1-105.3-124.1 123.2 9.6 11.2 -3.5 134 158 A Y G > S+ 0 0 17 62,-2.9 3,-1.8 -2,-0.5 64,-0.2 -0.218 98.8 0.9 -57.2 136.2 7.0 13.9 -4.1 135 159 A N G 3 S- 0 0 91 1,-0.3 -1,-0.3 69,-0.1 3,-0.1 0.753 116.7 -87.6 55.9 25.2 4.3 13.2 -6.8 136 160 A N G < S- 0 0 147 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.823 72.1-174.6 48.2 37.2 6.1 9.9 -7.1 137 161 A Q < - 0 0 37 -3,-1.8 2,-0.2 1,-0.1 -1,-0.1 -0.179 26.3-103.5 -64.1 154.3 8.4 11.6 -9.6 138 162 A S - 0 0 101 -3,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.565 31.0-130.9 -79.6 142.3 11.1 9.6 -11.6 139 163 A I - 0 0 62 -2,-0.2 2,-0.6 -6,-0.0 -1,-0.0 -0.762 10.4-157.2 -95.2 137.7 14.7 9.9 -10.5 140 164 A N > - 0 0 89 -2,-0.4 3,-2.1 3,-0.1 6,-0.3 -0.916 0.9-163.0-116.4 101.2 17.4 10.7 -13.0 141 165 A L T 3 S+ 0 0 62 -2,-0.6 -1,-0.1 1,-0.3 -14,-0.1 0.479 88.5 58.4 -63.2 -2.6 20.7 9.4 -11.6 142 166 A L T 3 S+ 0 0 159 -17,-0.0 2,-0.7 5,-0.0 -1,-0.3 0.521 82.0 94.4-102.4 -10.8 22.6 11.5 -14.1 143 167 A D <> - 0 0 42 -3,-2.1 4,-2.0 1,-0.2 3,-0.4 -0.737 67.7-153.0 -82.1 115.9 21.0 14.8 -12.9 144 168 A V H > S+ 0 0 91 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.878 94.5 55.5 -58.2 -37.1 23.4 16.2 -10.4 145 169 A L H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 106.7 50.3 -63.1 -38.7 20.6 18.0 -8.6 146 170 A H H > S+ 0 0 3 -3,-0.4 4,-2.1 -6,-0.3 -1,-0.2 0.924 108.7 51.5 -65.0 -44.7 18.7 14.7 -8.1 147 171 A I H X S+ 0 0 5 -4,-2.0 4,-1.9 -7,-0.2 -2,-0.2 0.912 111.3 49.6 -58.0 -42.8 21.8 13.0 -6.7 148 172 A R H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.932 110.0 47.1 -63.3 -49.9 22.1 15.9 -4.2 149 173 A L H X S+ 0 0 8 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.835 111.1 53.6 -64.2 -31.1 18.5 15.9 -3.0 150 174 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.903 107.3 49.5 -69.8 -40.0 18.7 12.2 -2.6 151 175 A V H >X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 3,-0.7 0.958 109.3 54.1 -60.4 -47.8 21.8 12.5 -0.4 152 176 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.833 104.2 54.2 -54.4 -35.1 19.9 15.1 1.5 153 177 A S H 3X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -1,-0.3 0.857 107.5 51.3 -69.3 -32.2 17.1 12.5 2.0 154 178 A Q H S+ 0 0 12 -4,-3.1 4,-2.6 1,-0.2 5,-0.5 0.888 107.1 56.4 -57.7 -43.6 19.0 9.8 15.7 163 187 A M H X5S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.2 6,-1.5 0.898 112.6 42.4 -56.5 -41.4 16.2 11.9 17.1 164 188 A Y H X5S+ 0 0 129 -4,-1.7 4,-1.4 4,-0.3 -2,-0.2 0.916 117.7 42.6 -74.5 -45.9 14.3 8.8 17.9 165 189 A N H <5S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.966 126.2 32.8 -65.3 -51.6 17.1 6.6 19.3 166 190 A Q H <5S+ 0 0 129 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.788 138.0 17.9 -76.7 -31.9 18.7 9.4 21.3 167 191 A L H < S- 0 0 11 -172,-0.1 4,-2.1 -175,-0.1 5,-0.2 -0.972 84.2 -99.3-158.3 167.7 15.0 26.3 -0.4 179 203 A K H > S+ 0 0 23 88,-0.5 4,-2.1 86,-0.3 5,-0.2 0.864 115.5 55.1 -62.0 -38.0 13.2 26.8 2.9 180 204 A L H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 112.6 40.8 -61.6 -48.1 9.7 27.4 1.4 181 205 A L H > S+ 0 0 5 82,-0.2 4,-3.1 2,-0.2 5,-0.2 0.914 113.3 53.1 -68.6 -42.8 9.6 24.1 -0.5 182 206 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -174,-0.2 0.911 112.2 45.8 -60.0 -42.5 11.2 22.0 2.3 183 207 A K H X S+ 0 0 52 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.909 114.0 49.5 -68.7 -38.1 8.6 23.3 4.7 184 208 A L H < S+ 0 0 28 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.868 115.8 41.4 -68.6 -35.8 5.8 22.7 2.1 185 209 A V H >< S+ 0 0 0 -4,-3.1 3,-1.3 1,-0.2 4,-0.4 0.690 95.0 78.1 -87.2 -16.2 6.9 19.2 1.3 186 210 A S H 3< S+ 0 0 4 -4,-1.6 -13,-0.2 1,-0.3 3,-0.2 0.771 96.6 50.4 -62.7 -23.1 7.7 18.1 4.9 187 211 A G T 3< S+ 0 0 30 -4,-0.5 3,-0.4 -3,-0.4 -1,-0.3 0.573 78.3 98.3 -92.8 -6.7 4.0 17.6 5.5 188 212 A V S < S+ 0 0 56 -3,-1.3 2,-0.7 1,-0.3 -1,-0.2 0.871 94.4 31.4 -48.7 -49.9 3.1 15.5 2.4 189 213 A F S S- 0 0 75 -4,-0.4 4,-0.3 -3,-0.2 -1,-0.3 -0.836 89.5-162.9-114.7 92.3 3.2 12.2 4.3 190 214 A K + 0 0 92 -2,-0.7 2,-0.6 -3,-0.4 3,-0.4 0.794 56.7 64.5 -45.0 -67.1 2.0 13.2 7.7 191 215 A P S S- 0 0 63 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 -0.581 122.1 -40.7 -77.6 117.4 2.7 10.8 10.6 192 216 A N S S+ 0 0 68 -2,-0.6 2,-0.3 1,-0.1 -20,-0.2 0.837 104.8 110.3 37.5 65.9 6.4 10.3 11.2 193 217 A Q - 0 0 63 -3,-0.4 -20,-1.3 -4,-0.3 2,-0.4 -0.884 54.5-124.9-150.2 179.1 7.7 10.1 7.6 194 218 A Q E - e 0 173A 5 -2,-0.3 -62,-2.2 -22,-0.2 2,-0.3 -0.996 12.6-168.8-141.7 143.4 9.8 12.0 5.0 195 219 A T E -de 132 174A 3 -22,-1.8 -20,-1.9 -2,-0.4 2,-0.4 -0.945 7.7-155.7-127.4 146.3 9.4 13.4 1.5 196 220 A V E -de 133 175A 1 -64,-1.3 -62,-2.9 -2,-0.3 2,-0.5 -0.948 13.0-142.5-121.3 142.9 11.9 14.8 -0.9 197 221 A L - 0 0 7 -22,-2.7 -20,-0.1 -2,-0.4 -62,-0.1 -0.923 6.5-153.7-112.5 125.0 11.0 17.2 -3.7 198 222 A L > - 0 0 1 -2,-0.5 3,-2.7 -64,-0.2 4,-0.2 -0.745 28.8-114.3 -94.3 143.8 12.6 17.1 -7.2 199 223 A P G > S+ 0 0 50 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.850 112.4 63.2 -38.3 -54.8 12.8 20.3 -9.3 200 224 A E G 3 S+ 0 0 112 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.754 103.7 51.8 -48.2 -25.1 10.5 19.0 -12.0 201 225 A S G <> S+ 0 0 4 -3,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.373 76.8 103.3 -98.8 8.3 7.7 18.8 -9.3 202 226 A C H <> S+ 0 0 21 -3,-2.7 4,-2.5 -4,-0.2 -1,-0.2 0.896 83.1 43.2 -57.3 -49.1 7.9 22.3 -7.9 203 227 A Q H > S+ 0 0 79 -4,-0.3 4,-4.1 -3,-0.2 5,-0.3 0.932 110.5 57.4 -65.4 -40.8 4.8 23.8 -9.6 204 228 A H H > S+ 0 0 91 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.929 111.5 43.0 -53.3 -45.5 2.8 20.6 -8.8 205 229 A L H < S+ 0 0 8 -4,-2.1 3,-0.4 2,-0.2 4,-0.3 0.915 116.3 47.2 -68.0 -42.1 3.6 21.2 -5.1 206 230 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.940 113.6 47.6 -65.2 -44.7 2.9 24.9 -5.3 207 231 A H H 3< S+ 0 0 51 -4,-4.1 -1,-0.2 1,-0.3 -2,-0.2 0.602 94.0 76.0 -73.7 -10.7 -0.3 24.5 -7.2 208 232 A S T 3< S+ 0 0 57 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.672 75.6 99.3 -75.1 -13.1 -1.6 21.8 -4.8 209 233 A L < - 0 0 24 -3,-1.3 25,-0.4 -4,-0.3 3,-0.1 -0.416 63.4-154.3 -71.5 148.5 -2.3 24.5 -2.3 210 234 A N S S+ 0 0 136 1,-0.3 2,-0.3 23,-0.1 -1,-0.1 0.607 75.2 23.2-100.4 -14.2 -5.9 25.7 -2.1 211 235 A H > - 0 0 48 22,-0.1 3,-4.0 1,-0.1 4,-0.3 -0.949 69.0-125.7-156.2 136.9 -5.3 29.2 -0.8 212 236 A I G > S+ 0 0 0 20,-1.2 3,-1.9 1,-0.3 6,-0.2 0.742 108.8 72.6 -43.9 -29.9 -2.4 31.7 -0.8 213 237 A K G 3 S+ 0 0 98 1,-0.3 -1,-0.3 19,-0.2 4,-0.1 0.703 87.3 63.9 -61.4 -19.7 -2.9 31.7 3.0 214 238 A E G < S+ 0 0 92 -3,-4.0 -1,-0.3 2,-0.1 -2,-0.2 0.631 79.5 99.3 -80.5 -14.2 -1.3 28.3 2.9 215 239 A I S X S- 0 0 1 -3,-1.9 3,-2.6 -4,-0.3 46,-0.1 -0.621 84.7-117.4 -78.2 116.8 2.0 29.7 1.6 216 240 A P T 3 S+ 0 0 40 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.324 103.6 36.8 -53.4 123.6 4.5 30.1 4.5 217 241 A G T 3 S+ 0 0 52 1,-0.2 2,-0.8 -4,-0.1 40,-0.1 0.002 93.3 92.8 121.9 -28.6 5.2 33.9 4.6 218 242 A I < - 0 0 5 -3,-2.6 -1,-0.2 -6,-0.2 -3,-0.0 -0.871 62.6-169.4-100.8 107.5 1.7 35.1 3.8 219 243 A G > - 0 0 32 -2,-0.8 4,-1.4 -3,-0.1 5,-0.1 0.025 40.9 -77.6 -85.0-165.4 -0.2 35.6 7.1 220 244 A Y H > S+ 0 0 167 2,-0.2 4,-1.4 3,-0.1 -7,-0.0 0.913 127.2 46.2 -60.1 -45.4 -3.8 36.3 8.1 221 245 A K H >> S+ 0 0 70 2,-0.2 3,-1.8 1,-0.2 4,-1.6 0.996 109.9 47.3 -61.1 -76.2 -3.5 40.0 7.0 222 246 A T H 3> S+ 0 0 31 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.742 108.8 59.4 -37.7 -34.0 -1.8 39.8 3.6 223 247 A A H 3X S+ 0 0 4 -4,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.933 106.4 45.7 -64.0 -46.4 -4.3 37.0 2.7 224 248 A K H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 3,-1.1 0.856 109.6 53.8 -61.7 -37.5 -5.0 39.8 -1.6 227 251 A E H ><5S+ 0 0 74 -4,-2.0 3,-4.0 1,-0.3 -1,-0.2 0.966 100.2 59.0 -61.2 -51.9 -8.6 38.7 -1.4 228 252 A A T 3<5S+ 0 0 89 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.641 107.6 51.2 -51.9 -12.0 -9.8 42.2 -1.6 229 253 A L T < 5S- 0 0 35 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.277 121.1-106.5-109.0 7.4 -7.9 42.2 -4.9 230 254 A G T < 5S+ 0 0 50 -3,-4.0 2,-0.8 1,-0.2 -3,-0.2 0.661 76.5 137.3 76.5 13.7 -9.5 39.0 -6.3 231 255 A I < + 0 0 0 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.2 -0.853 12.0 136.4 -96.0 108.3 -6.4 37.0 -5.7 232 256 A N + 0 0 67 -2,-0.8 -20,-1.2 -3,-0.1 -19,-0.2 0.724 51.6 55.1-120.7 -42.9 -7.5 33.7 -4.3 233 257 A S S > S- 0 0 46 -22,-0.2 4,-1.6 1,-0.1 3,-0.4 -0.510 85.6-112.6 -92.5 163.8 -5.6 30.8 -5.9 234 258 A V H > S+ 0 0 3 -25,-0.4 4,-1.7 1,-0.2 5,-0.1 0.849 120.1 53.9 -63.9 -30.4 -1.8 30.5 -6.0 235 259 A R H > S+ 0 0 131 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.792 100.9 59.4 -74.0 -27.2 -2.0 31.0 -9.8 236 260 A D H > S+ 0 0 58 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.933 109.2 44.4 -62.8 -45.4 -3.9 34.2 -9.3 237 261 A L H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.838 112.7 51.5 -67.2 -35.0 -1.0 35.5 -7.3 238 262 A Q H < S+ 0 0 21 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.920 118.8 36.3 -68.2 -42.1 1.5 34.2 -9.9 239 263 A T H < S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.564 92.9 112.6 -88.6 -9.6 -0.4 35.9 -12.7 240 264 A F S < S- 0 0 45 -4,-1.3 -3,-0.0 -5,-0.2 3,-0.0 -0.242 81.2 -83.1 -65.8 156.4 -1.4 39.0 -10.9 241 265 A S > - 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