==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 13-NOV-12 4HYK . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR J.D.PATA,R.C.WILSON . 336 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.0 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 . 3 0.9 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 . 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 . 31 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 1 1 0 3 0 1 0 0 0 2 0 0 0 2 0 0 0 0 0 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 . 3 1 2 1 1 1 1 0 0 1 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 1 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 72 0, 0.0 2,-0.5 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 137.9 46.1 17.7 4.0 2 2 A I - 0 0 6 2,-0.0 103,-1.8 110,-0.0 2,-0.6 -0.956 360.0-171.2-120.4 112.5 45.0 20.6 1.8 3 3 A V E -AB 104 140A 0 137,-3.4 137,-1.9 -2,-0.5 2,-0.7 -0.903 7.8-168.1-107.6 111.2 43.3 19.6 -1.5 4 4 A I E -AB 103 139A 0 99,-2.2 99,-2.8 -2,-0.6 2,-0.5 -0.869 13.2-163.5 -90.5 115.6 42.6 22.2 -4.1 5 5 A F E -AB 102 138A 0 133,-2.6 133,-2.0 -2,-0.7 2,-0.5 -0.873 2.3-161.3-104.0 127.5 40.2 20.6 -6.7 6 6 A V E +AB 101 137A 0 95,-3.3 95,-2.5 -2,-0.5 2,-0.5 -0.931 9.9 178.8-113.0 121.8 39.8 22.3 -10.1 7 7 A D E -AB 100 136A 6 129,-2.1 129,-3.0 -2,-0.5 2,-0.2 -0.985 28.4-126.8-116.8 124.3 36.7 21.5 -12.4 8 8 A F E > - B 0 135A 2 91,-2.9 3,-0.7 -2,-0.5 2,-0.6 -0.517 28.4-113.8 -74.5 135.5 36.5 23.3 -15.7 9 9 A D T 3 S- 0 0 1 125,-1.4 125,-0.2 1,-0.3 5,-0.2 -0.582 80.6 -34.8 -78.4 111.8 33.2 25.1 -16.3 10 10 A Y T 3> S- 0 0 37 -2,-0.6 4,-1.2 3,-0.1 3,-0.4 0.877 85.2-162.7 42.7 53.0 31.1 23.6 -19.1 11 11 A F H X> + 0 0 2 -3,-0.7 4,-2.0 1,-0.2 3,-0.9 0.712 68.1 44.1 -40.9 -64.8 34.4 22.9 -20.8 12 12 A F H 3> S+ 0 0 27 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.909 113.5 49.9 -55.5 -52.8 33.8 22.2 -24.5 13 13 A A H 3> S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.803 111.2 51.7 -52.0 -33.3 31.4 25.0 -25.1 14 14 A Q H < - 0 0 40 -4,-3.9 3,-2.5 -5,-0.2 4,-0.5 -0.751 69.6-175.3-115.7 83.6 34.5 32.2 -31.3 21 21 A P G > S+ 0 0 77 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.766 79.3 69.6 -44.9 -32.6 33.9 35.3 -29.1 22 22 A Q G 3 S+ 0 0 147 1,-0.3 -5,-0.1 3,-0.1 4,-0.0 0.440 89.2 65.2 -75.9 4.9 30.6 36.0 -30.9 23 23 A Y G X S+ 0 0 33 -3,-2.5 3,-1.9 -6,-0.3 2,-0.4 0.738 78.2 102.7 -83.7 -32.0 29.3 32.8 -29.2 24 24 A K T < S+ 0 0 107 -3,-1.5 -10,-0.0 -4,-0.5 0, 0.0 -0.375 87.8 17.0 -57.5 110.3 29.6 34.5 -25.8 25 25 A G T 3 S+ 0 0 38 1,-0.4 -1,-0.2 -2,-0.4 -2,-0.1 0.114 111.2 79.9 118.0 -19.1 26.2 35.6 -24.6 26 26 A K S < S- 0 0 117 -3,-1.9 -1,-0.4 1,-0.0 18,-0.2 -0.869 96.6 -80.6-117.6 152.5 24.0 33.6 -26.9 27 27 A P - 0 0 4 0, 0.0 39,-2.7 0, 0.0 2,-0.4 -0.292 49.3-177.8 -55.6 126.8 23.2 29.9 -26.4 28 28 A L E -k 66 0B 0 37,-0.2 13,-2.1 39,-0.0 2,-0.4 -0.990 1.7-174.6-130.3 124.0 25.9 27.6 -27.6 29 29 A V E -kL 67 40B 0 37,-1.5 39,-1.8 -2,-0.4 2,-0.4 -0.930 13.0-146.3-124.8 144.0 25.6 23.8 -27.6 30 30 A V E -k 68 0B 0 9,-1.6 8,-4.0 -2,-0.4 2,-0.3 -0.883 19.1-152.7-114.6 139.2 28.2 21.1 -28.4 31 31 A C E -kL 69 37B 4 37,-1.5 39,-0.7 -2,-0.4 2,-0.3 -0.777 15.0-167.7-124.3 155.1 27.3 17.7 -30.0 32 32 A V E L 0 36B 58 4,-2.7 4,-2.9 -2,-0.3 20,-0.0 -0.998 360.0 360.0-138.3 136.6 28.4 14.1 -30.3 33 33 A Y 0 0 216 -2,-0.3 -1,-0.1 2,-0.2 4,-0.0 0.739 360.0 360.0-116.4 360.0 27.2 11.4 -32.7 34 ! 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 35 41 A G 0 0 62 0, 0.0 20,-2.2 0, 0.0 21,-0.4 0.000 360.0 360.0 360.0 141.5 23.1 13.1 -32.4 36 42 A A E -LM 32 54B 30 -4,-2.9 -4,-2.7 18,-0.3 2,-0.2 -0.893 360.0 -91.9-134.1 157.3 23.3 14.1 -28.7 37 43 A V E +L 31 0B 4 16,-2.9 15,-3.0 -2,-0.3 -6,-0.3 -0.463 32.9 176.9 -73.3 129.4 24.4 17.0 -26.4 38 44 A A E - 0 0 20 -8,-4.0 2,-0.2 1,-0.4 -7,-0.2 0.843 66.6 -17.0 -91.3 -89.5 28.0 17.0 -25.1 39 45 A T E - 0 0 21 12,-0.1 -9,-1.6 -29,-0.1 -1,-0.4 -0.478 63.5-163.4-100.8-173.4 28.5 20.2 -23.1 40 46 A A E -L 29 0B 3 -11,-0.2 -11,-0.2 -2,-0.2 11,-0.1 -0.771 17.9-123.3-170.5 124.1 26.4 23.4 -23.2 41 47 A N > - 0 0 0 -13,-2.1 4,-1.2 -2,-0.2 8,-0.1 0.037 34.9-102.0 -65.9-177.3 27.1 27.0 -22.1 42 48 A Y H > S+ 0 0 67 2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.857 117.1 58.5 -89.3 -31.7 24.9 28.7 -19.6 43 49 A E H 4 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.2 -19,-0.0 0.870 115.0 43.8 -59.5 -30.8 22.8 31.0 -21.8 44 50 A A H >4>S+ 0 0 0 -18,-0.2 5,-1.2 -16,-0.2 3,-0.9 0.789 109.1 57.4 -80.9 -29.3 21.9 27.7 -23.4 45 51 A R H >X5S+ 0 0 79 -4,-1.2 3,-3.3 1,-0.2 4,-0.7 0.967 93.5 65.3 -64.8 -49.5 21.4 26.0 -20.0 46 52 A K T 3<5S+ 0 0 188 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.419 100.5 55.4 -52.5 1.8 18.8 28.5 -18.8 47 53 A L T <45S- 0 0 76 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.419 130.3 -87.1-117.1 -6.3 16.5 27.2 -21.6 48 54 A G T <45S+ 0 0 19 -3,-3.3 2,-0.8 1,-0.2 -3,-0.2 0.587 75.6 147.9 108.2 18.4 16.6 23.5 -20.6 49 55 A V << + 0 0 0 -5,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.765 18.1 164.9 -91.9 114.4 19.7 22.4 -22.5 50 56 A K > - 0 0 125 -2,-0.8 3,-1.4 -11,-0.0 -13,-0.2 -0.959 40.5 -85.2-133.0 149.9 21.5 19.6 -20.5 51 57 A A T 3 S+ 0 0 73 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.112 104.8 19.2 -58.2 137.9 24.2 17.1 -21.4 52 58 A G T 3 S+ 0 0 54 -15,-3.0 -1,-0.2 1,-0.3 -14,-0.1 0.217 87.5 127.8 94.0 -14.4 23.3 13.8 -23.1 53 59 A M S < S- 0 0 36 -3,-1.4 -16,-2.9 -17,-0.1 -1,-0.3 -0.426 71.4 -95.7 -75.1 148.0 19.9 14.8 -24.4 54 60 A P B >> -M 36 0B 74 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.406 30.0-121.7 -61.2 140.7 19.0 14.3 -28.1 55 61 A I H 3> S+ 0 0 17 -20,-2.2 4,-2.8 1,-0.2 5,-0.3 0.786 108.8 75.1 -56.4 -25.5 19.7 17.5 -30.0 56 62 A I H 3> S+ 0 0 125 -21,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.958 99.8 37.2 -43.4 -66.0 16.0 17.1 -30.9 57 63 A K H <> S+ 0 0 116 -3,-0.7 4,-2.2 1,-0.2 5,-0.3 0.887 113.6 61.0 -58.7 -37.6 14.8 18.3 -27.5 58 64 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.921 110.2 38.2 -55.5 -50.1 17.7 20.8 -27.5 59 65 A M H < S+ 0 0 95 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.912 112.0 57.7 -69.3 -45.5 16.4 22.6 -30.6 60 66 A Q H < S+ 0 0 161 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.824 122.6 26.5 -58.0 -31.5 12.8 22.3 -29.7 61 67 A I H < S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.606 132.2 38.3-105.3 -16.1 13.5 24.1 -26.4 62 68 A A >< + 0 0 0 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 -0.619 61.7 149.5-132.5 79.1 16.5 26.1 -27.5 63 69 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.781 70.4 61.6 -82.1 -26.7 16.1 27.3 -31.1 64 70 A S T 3 S+ 0 0 73 -5,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.394 88.2 110.9 -76.9 6.4 18.1 30.6 -30.8 65 71 A A < - 0 0 11 -3,-0.7 -37,-0.2 -7,-0.1 2,-0.2 -0.510 68.4-127.9 -87.4 146.2 21.1 28.3 -30.0 66 72 A I E -k 28 0B 68 -39,-2.7 -37,-1.5 -2,-0.2 2,-0.3 -0.512 20.4-153.9 -78.6 157.2 24.2 27.7 -32.1 67 73 A Y E +k 29 0B 54 -2,-0.2 -37,-0.2 -39,-0.2 -39,-0.0 -0.815 17.5 173.5-140.0 101.6 25.0 24.0 -32.7 68 74 A V E -k 30 0B 16 -39,-1.8 -37,-1.5 -2,-0.3 2,-0.1 -0.671 30.4-114.0-103.9 158.0 28.6 23.0 -33.4 69 75 A P E -k 31 0B 86 0, 0.0 2,-0.8 0, 0.0 -37,-0.1 -0.382 42.8 -90.8 -80.1 171.2 30.2 19.6 -33.8 70 76 A M - 0 0 47 -39,-0.7 2,-1.2 -2,-0.1 -37,-0.1 -0.734 33.0-173.3 -93.0 108.9 32.8 18.3 -31.3 71 77 A R >> + 0 0 95 -2,-0.8 4,-1.2 1,-0.2 3,-0.9 -0.692 9.2 177.1 -94.2 82.3 36.4 19.1 -32.0 72 78 A K H 3> + 0 0 87 -2,-1.2 4,-2.8 1,-0.2 5,-0.3 0.863 68.3 67.0 -54.1 -45.4 38.0 17.1 -29.2 73 79 A P H 3> S+ 0 0 101 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.785 102.8 46.7 -47.7 -37.5 41.7 17.7 -30.3 74 80 A I H <> S+ 0 0 47 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.897 111.2 50.7 -73.0 -42.0 41.4 21.4 -29.4 75 81 A Y H X S+ 0 0 0 -4,-1.2 4,-2.9 1,-0.2 5,-0.2 0.930 111.2 49.3 -60.1 -44.2 39.7 20.7 -26.1 76 82 A E H X S+ 0 0 49 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.840 107.4 55.9 -64.3 -32.4 42.5 18.3 -25.3 77 83 A A H X S+ 0 0 38 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.947 111.0 43.5 -61.5 -45.6 44.9 21.0 -26.3 78 84 A F H X S+ 0 0 12 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.961 113.3 49.7 -64.9 -53.2 43.4 23.4 -23.7 79 85 A S H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.869 111.7 50.9 -55.0 -38.8 43.2 20.8 -21.0 80 86 A N H X S+ 0 0 85 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.968 110.4 46.9 -64.2 -51.8 46.8 19.9 -21.6 81 87 A R H X S+ 0 0 109 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.922 117.0 45.2 -52.7 -45.3 48.0 23.5 -21.4 82 88 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.874 107.8 54.9 -70.1 -41.4 46.0 24.1 -18.2 83 89 A M H X S+ 0 0 18 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.902 107.8 52.5 -57.0 -39.9 47.0 20.8 -16.5 84 90 A N H < S+ 0 0 98 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.875 106.1 53.9 -66.0 -31.6 50.5 22.0 -17.1 85 91 A L H >< S+ 0 0 21 -4,-1.2 3,-1.3 1,-0.2 4,-0.5 0.959 111.2 44.6 -58.7 -51.7 49.5 25.3 -15.4 86 92 A L H >< S+ 0 0 1 -4,-2.5 3,-0.5 1,-0.3 4,-0.3 0.709 100.4 69.1 -66.2 -24.3 48.3 23.4 -12.3 87 93 A N T 3< S+ 0 0 77 -4,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.698 95.9 56.3 -69.8 -14.8 51.3 21.2 -12.2 88 94 A K T < S+ 0 0 111 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.731 107.4 44.2 -90.4 -25.0 53.4 24.2 -11.2 89 95 A H S < S+ 0 0 26 -3,-0.5 2,-0.3 -4,-0.5 -1,-0.2 0.272 104.9 82.2-101.0 10.0 51.5 25.2 -8.1 90 96 A A - 0 0 15 -4,-0.3 15,-0.2 -3,-0.2 3,-0.1 -0.878 57.9-158.3-122.9 148.6 51.1 21.6 -6.8 91 97 A D S S+ 0 0 63 13,-2.5 2,-0.3 1,-0.4 14,-0.2 0.854 94.9 9.4 -83.1 -42.8 53.1 19.2 -4.8 92 98 A K E S-C 104 0A 110 12,-2.0 12,-2.4 141,-0.0 2,-0.4 -0.991 71.0-163.7-134.6 146.3 51.1 16.3 -6.2 93 99 A I E -C 103 0A 5 -2,-0.3 142,-0.7 10,-0.2 2,-0.6 -0.984 7.2-168.0-135.7 126.6 48.5 16.3 -9.0 94 100 A E E -Cd 102 235A 14 8,-2.5 8,-2.7 -2,-0.4 2,-0.7 -0.958 15.1-151.6-110.0 113.7 45.9 13.7 -9.8 95 101 A V E +Cd 101 236A 15 140,-3.4 142,-3.6 -2,-0.6 143,-0.4 -0.783 17.2 177.3 -87.0 111.5 44.3 14.3 -13.2 96 102 A A - 0 0 19 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.765 62.4 -32.7 -86.6 -29.3 40.8 12.8 -13.0 97 103 A S S S- 0 0 29 3,-1.4 -1,-0.2 141,-0.1 141,-0.1 -0.953 72.4 -76.5-170.5-177.1 39.7 13.9 -16.5 98 104 A I S S+ 0 0 32 -2,-0.3 -15,-0.1 1,-0.2 3,-0.1 0.717 131.9 44.7 -62.8 -19.4 40.1 16.5 -19.3 99 105 A D S S+ 0 0 49 1,-0.2 -91,-2.9 -92,-0.1 2,-0.4 0.716 113.4 44.6 -99.1 -34.8 37.7 18.6 -17.1 100 106 A E E -A 7 0A 42 -93,-0.2 -4,-2.1 -3,-0.0 -3,-1.4 -0.948 47.3-179.5-141.2 135.5 39.2 18.1 -13.5 101 107 A A E -AC 6 95A 0 -95,-2.5 -95,-3.3 -2,-0.4 2,-0.6 -0.970 16.2-147.7-130.2 146.3 42.3 18.0 -11.4 102 108 A Y E -AC 5 94A 20 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.5 -0.942 18.1-165.6-108.6 115.3 43.2 17.4 -7.7 103 109 A L E -AC 4 93A 0 -99,-2.8 -99,-2.2 -2,-0.6 2,-0.8 -0.874 14.6-153.5-102.2 121.8 46.2 19.2 -6.3 104 110 A D E +AC 3 92A 24 -12,-2.4 -13,-2.5 -2,-0.5 -12,-2.0 -0.885 25.6 166.8 -83.9 112.0 47.9 18.3 -3.0 105 111 A V > + 0 0 0 -103,-1.8 4,-1.4 -2,-0.8 5,-0.2 -0.133 29.9 121.4-116.1 30.6 49.4 21.7 -2.1 106 112 A T T 4>S+ 0 0 30 1,-0.2 5,-2.3 2,-0.2 6,-0.3 0.909 79.4 38.3 -72.0 -45.0 50.3 21.0 1.5 107 113 A N T 45S+ 0 0 122 3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.691 111.2 64.4 -72.3 -18.2 54.0 21.7 1.4 108 114 A K T 45S+ 0 0 112 1,-0.2 -2,-0.2 -19,-0.1 -1,-0.2 0.826 118.2 22.9 -77.4 -32.9 53.3 24.6 -1.0 109 115 A V T ><5S- 0 0 11 -4,-1.4 3,-1.7 -3,-0.2 -1,-0.2 0.227 109.5-123.6-111.9 8.2 51.4 26.6 1.6 110 116 A E T 3 5 - 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0 0 0 -6,-0.9 2,-0.4 -9,-0.1 -2,-0.2 -0.712 47.5-145.8 -97.1 142.8 39.1 30.0 -19.2 134 140 A T - 0 0 27 -2,-0.3 -125,-1.4 -125,-0.2 2,-0.3 -0.932 14.6-166.7-113.5 136.4 37.2 30.1 -16.0 135 141 A V E -B 8 0A 1 -2,-0.4 2,-0.6 -127,-0.2 -127,-0.2 -0.770 22.0-128.0-116.4 156.1 37.1 27.2 -13.5 136 142 A T E -B 7 0A 0 -129,-3.0 -129,-2.1 -2,-0.3 2,-0.4 -0.946 34.4-165.3-101.1 118.3 35.1 26.2 -10.4 137 143 A V E -Be 6 158A 0 20,-2.8 22,-2.5 -2,-0.6 2,-0.4 -0.824 14.1-165.4-107.4 139.6 37.4 25.4 -7.5 138 144 A G E -Be 5 159A 0 -133,-2.0 -133,-2.6 -2,-0.4 2,-0.5 -0.985 6.4-159.3-117.9 131.8 36.8 23.7 -4.1 139 145 A V E +Be 4 160A 0 20,-2.5 22,-2.4 -2,-0.4 -135,-0.2 -0.929 32.3 130.8-110.9 124.2 39.3 23.9 -1.2 140 146 A A E -B 3 0A 0 -137,-1.9 -137,-3.4 -2,-0.5 22,-0.1 -0.892 63.3 -99.6-156.0 174.6 39.1 21.2 1.5 141 147 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 -137,-0.1 0.800 102.6 29.2 -82.6 -29.8 41.2 18.7 3.6 142 148 A N S > S- 0 0 7 -139,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.802 86.1-108.4-119.0 173.7 40.4 15.6 1.5 143 149 A K H > S+ 0 0 6 87,-0.5 4,-2.6 -2,-0.3 3,-0.3 0.973 111.1 54.1 -59.7 -56.8 39.6 15.0 -2.1 144 150 A I H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.812 111.2 44.0 -51.6 -40.9 35.9 14.1 -1.7 145 151 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 109.3 55.9 -75.8 -36.7 34.9 17.3 0.2 146 152 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.3 -2,-0.2 0.941 113.1 44.2 -58.1 -44.4 36.9 19.6 -2.1 147 153 A K H X S+ 0 0 35 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.936 110.5 52.4 -64.6 -48.0 34.9 18.1 -4.8 148 154 A I H X S+ 0 0 8 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.854 113.5 45.2 -59.6 -34.3 31.5 18.3 -3.0 149 155 A I H < S+ 0 0 21 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.801 111.1 53.6 -82.8 -26.5 32.1 21.9 -2.3 150 156 A A H >< S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 4,-0.4 0.962 109.0 47.2 -65.7 -54.4 33.3 22.6 -5.9 151 157 A D H 3< S+ 0 0 75 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.771 113.2 51.4 -55.1 -27.3 30.1 21.1 -7.4 152 158 A K T 3< S+ 0 0 107 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.534 108.8 52.8 -86.9 -6.9 28.3 23.2 -4.8 153 159 A S S < S+ 0 0 31 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.329 86.3 164.8-111.2 7.0 30.2 26.3 -6.0 154 160 A K + 0 0 85 -4,-0.4 2,-0.1 -3,-0.4 4,-0.1 -0.453 39.8 43.4 -71.7 144.7 29.6 26.3 -9.8 155 161 A P S S- 0 0 69 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.562 131.0 -27.2-104.9 159.8 30.0 28.3 -11.9 156 162 A N S S+ 0 0 85 1,-0.2 -20,-0.2 -22,-0.2 2,-0.2 0.877 100.7 151.3 49.0 42.2 33.2 30.3 -11.6 157 163 A G - 0 0 12 -7,-0.1 -20,-2.8 -23,-0.1 2,-0.2 -0.545 50.2-148.9-102.9 166.5 33.2 29.6 -7.9 158 164 A L E -e 137 0A 47 -22,-0.2 -20,-0.2 -2,-0.2 -8,-0.1 -0.652 27.2-164.3-128.8 76.2 35.7 29.2 -5.1 159 165 A G E -e 138 0A 2 -22,-2.5 -20,-2.5 -2,-0.2 2,-0.4 -0.158 4.7-161.0 -64.1 155.2 34.2 26.8 -2.7 160 166 A V E +e 139 0A 50 -22,-0.2 2,-0.3 -11,-0.2 -20,-0.2 -0.977 26.2 164.9-151.1 125.6 35.5 26.4 0.9 161 167 A I - 0 0 1 -22,-2.4 -12,-0.1 -2,-0.4 -16,-0.0 -0.845 22.8-161.3-140.3 102.0 35.5 23.9 3.8 162 168 A R >> - 0 0 78 -2,-0.3 3,-1.5 -22,-0.1 4,-1.3 -0.388 35.6-105.2 -78.5 157.0 38.1 24.5 6.4 163 169 A P G >4 S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.937 123.9 58.9 -44.8 -55.1 39.1 21.8 8.9 164 170 A T G 34 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.796 111.3 41.9 -34.4 -42.4 37.1 23.7 11.6 165 171 A E G <> S+ 0 0 76 -3,-1.5 4,-2.9 1,-0.1 5,-0.3 0.688 88.6 93.5 -88.4 -19.3 34.0 23.2 9.3 166 172 A V H S+ 0 0 87 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.895 116.0 52.7 -44.2 -49.9 32.4 17.7 10.8 168 174 A D H >> S+ 0 0 106 -4,-0.3 4,-1.2 1,-0.2 3,-0.9 0.959 111.7 45.2 -54.7 -52.6 29.7 20.4 10.6 169 175 A F H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.911 108.4 57.4 -55.3 -44.7 29.5 20.0 6.8 170 176 A L H 3< S+ 0 0 1 -4,-3.0 28,-0.5 -5,-0.3 -1,-0.3 0.780 105.9 52.7 -64.9 -25.2 29.6 16.2 7.1 171 177 A N H << S+ 0 0 70 -4,-1.7 2,-1.4 -3,-0.9 27,-0.6 0.964 107.7 45.7 -66.4 -85.4 26.5 16.5 9.3 172 178 A E S < S+ 0 0 144 -4,-1.2 -1,-0.2 24,-0.1 2,-0.2 -0.454 84.5 119.4 -60.6 93.2 24.2 18.5 7.1 173 179 A L - 0 0 2 -2,-1.4 24,-2.5 -3,-0.2 25,-0.1 -0.677 60.0-133.1-162.8 100.8 24.8 16.7 3.9 174 180 A D B > -N 196 0C 44 22,-0.2 3,-1.3 -2,-0.2 22,-0.3 -0.205 21.7-121.6 -54.6 147.8 22.0 14.9 2.1 175 181 A I G > S+ 0 0 4 20,-1.8 3,-2.0 1,-0.2 6,-0.1 0.863 109.7 62.9 -61.1 -36.5 22.8 11.4 1.0 176 182 A D G 3 S+ 0 0 86 19,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.624 95.4 61.8 -67.7 -11.0 22.1 12.2 -2.7 177 183 A E G < S+ 0 0 70 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.227 78.8 102.9 -99.1 10.9 25.0 14.6 -2.6 178 184 A I S X S- 0 0 1 -3,-2.0 3,-2.2 3,-0.2 2,-0.0 -0.868 80.0-124.8 -96.7 104.8 27.4 11.8 -1.8 179 185 A P T 3 S+ 0 0 46 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.296 100.4 44.1 -52.1 122.7 29.4 11.0 -5.0 180 186 A G T 3 S+ 0 0 52 -4,-0.1 2,-0.5 1,-0.1 -4,-0.1 0.139 100.6 82.5 114.6 -13.9 28.9 7.3 -5.6 181 187 A I < + 0 0 6 -3,-2.2 -3,-0.2 -6,-0.1 -1,-0.1 -0.970 54.5 160.7-120.1 112.5 25.3 7.6 -4.8 182 188 A G - 0 0 57 -2,-0.5 -4,-0.1 -3,-0.1 -1,-0.1 0.646 59.0 -45.9 -95.0-107.0 23.2 8.8 -7.8 183 189 A S S > S+ 0 0 102 3,-0.1 4,-2.2 2,-0.1 5,-0.1 0.862 122.9 45.3-105.7 -46.7 19.5 8.3 -8.0 184 190 A V H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.946 114.7 44.7 -72.3 -49.2 18.3 4.8 -7.1 185 191 A L H > S+ 0 0 41 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.908 114.1 53.2 -58.4 -41.6 20.4 4.2 -4.0 186 192 A A H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.939 108.2 49.7 -57.0 -48.8 19.4 7.7 -2.9 187 193 A R H X S+ 0 0 137 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.941 113.3 46.8 -55.0 -50.3 15.7 6.9 -3.4 188 194 A R H X S+ 0 0 118 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.945 115.8 41.4 -61.4 -52.6 16.0 3.7 -1.4 189 195 A L H X S+ 0 0 7 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.907 115.8 50.2 -65.3 -41.5 17.9 5.1 1.6 190 196 A N H < S+ 0 0 88 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.806 120.1 38.3 -61.4 -29.8 15.7 8.2 1.6 191 197 A E H < S+ 0 0 139 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.528 118.8 48.0-100.1 -9.7 12.7 5.9 1.5 192 198 A L H < S- 0 0 104 -4,-1.4 -2,-0.2 2,-0.2 -3,-0.2 0.310 130.4 -72.4-114.8 7.1 14.1 3.3 3.8 193 199 A G S < S+ 0 0 52 -4,-0.8 2,-0.3 1,-0.2 -3,-0.1 -0.463 98.2 91.8 146.1 -68.2 15.4 5.5 6.6 194 200 A I + 0 0 10 1,-0.2 -2,-0.2 -5,-0.1 -1,-0.2 -0.464 28.0 162.9 -79.6 122.8 18.5 7.6 6.0 195 201 A Q + 0 0 76 -2,-0.3 -20,-1.8 1,-0.2 -19,-0.3 0.716 68.2 29.2-102.2 -32.6 18.1 11.1 4.7 196 202 A K B > S-N 174 0C 41 -22,-0.3 3,-1.0 -21,-0.1 4,-0.4 -0.872 84.6-102.9-135.9 164.1 21.5 12.5 5.5 197 203 A L G > S+ 0 0 0 -24,-2.5 3,-2.2 -26,-0.4 4,-0.3 0.886 114.7 51.1 -55.7 -52.3 25.1 11.2 5.8 198 204 A R G >> S+ 0 0 59 -27,-0.6 3,-1.4 -28,-0.5 4,-0.7 0.732 94.6 74.4 -63.5 -21.0 25.4 11.2 9.6 199 205 A D G <4 S+ 0 0 69 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.725 82.9 71.0 -60.8 -22.2 22.2 9.1 9.8 200 206 A I G <4 S+ 0 0 4 -3,-2.2 3,-0.5 -4,-0.4 5,-0.3 0.826 89.0 61.5 -63.7 -31.7 24.3 6.2 8.5 201 207 A L T <4 S+ 0 0 78 -3,-1.4 2,-1.6 -4,-0.3 -1,-0.2 0.919 97.7 55.5 -61.9 -49.0 26.1 6.1 11.9 202 208 A S S < S+ 0 0 112 -4,-0.7 -1,-0.3 -3,-0.1 2,-0.2 -0.421 97.4 85.5 -85.6 59.2 22.9 5.3 13.9 203 209 A K S S- 0 0 101 -2,-1.6 3,-0.1 -3,-0.5 -3,-0.1 -0.775 90.6-101.0-141.0-172.4 22.1 2.2 11.7 204 210 A N - 0 0 82 -2,-0.2 2,-4.4 1,-0.1 4,-0.1 0.375 35.3-151.3-101.3 3.4 23.1 -1.5 11.7 205 211 A Y S >> S+ 0 0 64 -5,-0.3 3,-2.0 1,-0.2 4,-1.5 -0.149 84.2 74.7 61.2 -55.2 25.6 -1.3 8.9 206 212 A N H 3> S+ 0 0 101 -2,-4.4 4,-1.1 1,-0.3 3,-0.5 0.914 97.7 44.2 -53.0 -49.4 25.0 -4.9 7.9 207 213 A E H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.225 107.1 62.6 -85.7 15.9 21.6 -4.1 6.2 208 214 A L H X> S+ 0 0 6 -3,-2.0 4,-1.5 2,-0.1 3,-1.1 0.648 100.4 51.7 -97.5 -31.1 23.3 -1.1 4.7 209 215 A E H 3< S+ 0 0 22 -4,-1.5 4,-0.3 -3,-0.5 -2,-0.2 0.813 99.4 64.8 -70.9 -30.4 25.6 -3.4 2.8 210 216 A K T 3< S+ 0 0 165 -4,-1.1 -1,-0.3 1,-0.2 -3,-0.1 0.390 111.9 36.4 -72.6 3.5 22.6 -5.3 1.6 211 217 A I T <4 S+ 0 0 54 -3,-1.1 -2,-0.2 2,-0.0 -1,-0.2 0.563 137.2 13.5-124.4 -28.6 21.6 -2.1 -0.3 212 218 A T S < S- 0 0 24 -4,-1.5 -3,-0.2 -27,-0.0 4,-0.2 0.742 104.1-103.0-116.3 -48.2 25.0 -0.8 -1.4 213 219 A G > - 0 0 28 -5,-0.4 4,-2.2 -4,-0.3 5,-0.3 -0.191 37.3 -83.8 118.6 142.8 27.7 -3.5 -1.0 214 220 A K H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.829 123.2 49.7 -46.7 -47.0 30.3 -3.9 1.7 215 221 A A H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.981 113.9 40.1 -57.9 -69.2 32.9 -1.6 0.1 216 222 A K H > S+ 0 0 76 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.779 115.3 55.0 -53.5 -32.3 30.7 1.5 -0.7 217 223 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 108.9 47.3 -66.4 -45.8 29.0 1.0 2.7 218 224 A L H X S+ 0 0 84 -4,-2.4 4,-2.3 -3,-0.3 5,-0.3 0.951 111.0 51.3 -58.7 -51.0 32.4 1.1 4.5 219 225 A Y H X S+ 0 0 40 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.932 108.2 51.9 -51.5 -49.5 33.3 4.2 2.5 220 226 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.862 111.7 49.7 -55.9 -38.8 30.1 5.9 3.5 221 227 A L H >X S+ 0 0 26 -4,-2.1 4,-3.1 2,-0.2 3,-0.9 0.999 110.2 44.5 -59.8 -73.2 31.0 5.0 7.1 222 228 A K H 3<>S+ 0 0 83 -4,-2.3 5,-4.2 1,-0.3 -2,-0.2 0.675 116.2 51.0 -54.1 -18.0 34.6 6.3 7.2 223 229 A L H ><5S+ 0 0 3 -4,-1.7 3,-1.2 -5,-0.3 -1,-0.3 0.878 111.7 44.6 -79.9 -43.7 33.3 9.4 5.4 224 230 A A H <<5S+ 0 0 0 -4,-2.2 -2,-0.2 -3,-0.9 -3,-0.2 0.830 116.5 48.3 -65.5 -31.3 30.4 9.9 8.0 225 231 A Q T 3<5S- 0 0 99 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.426 112.5-124.9 -81.1 -1.2 33.1 9.2 10.7 226 232 A N T < 5S+ 0 0 61 -3,-1.2 -3,-0.2 -5,-0.4 -4,-0.1 0.901 74.9 129.3 46.4 43.0 35.4 11.7 8.9 227 233 A K < + 0 0 148 -5,-4.2 2,-0.5 -6,-0.2 -4,-0.2 -0.197 36.8 119.9-110.3 37.1 37.9 8.9 8.8 228 234 A Y + 0 0 43 -5,-0.2 -9,-0.0 -6,-0.2 -5,-0.0 -0.907 15.7 134.0-111.4 130.3 38.5 9.5 5.1 229 235 A S + 0 0 74 -2,-0.5 -1,-0.1 -87,-0.1 3,-0.0 -0.009 11.2 167.3-169.5 50.0 41.8 10.5 3.5 230 236 A E - 0 0 76 1,-0.1 -87,-0.5 3,-0.0 3,-0.1 -0.608 45.7-124.3 -60.3 121.6 42.7 8.6 0.3 231 237 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.278 18.6 -91.5 -81.6 163.3 45.6 10.9 -0.7 232 238 A V - 0 0 3 -140,-0.1 2,-0.3 -2,-0.0 -128,-0.1 -0.583 46.5-151.2 -74.1 118.8 46.1 12.7 -4.0 233 239 A E - 0 0 92 -2,-0.5 2,-2.2 -141,-0.1 -131,-0.1 -0.676 22.4-115.5 -97.1 146.8 48.2 10.5 -6.3 234 240 A N S S+ 0 0 71 -2,-0.3 103,-2.5 -140,-0.1 2,-0.3 -0.514 77.7 113.3 -74.8 76.9 50.5 11.6 -9.1 235 241 A K E -dF 94 336A 34 -2,-2.2 -140,-3.4 -142,-0.7 2,-0.5 -0.974 59.8-138.7-147.2 155.3 48.4 10.1 -11.8 236 242 A S E -dF 95 335A 20 99,-2.3 99,-2.5 -2,-0.3 -140,-0.2 -0.986 4.9-169.6-116.4 130.6 46.2 10.8 -14.8 237 243 A K + 0 0 107 -142,-3.6 97,-0.2 -2,-0.5 -141,-0.1 0.420 51.4 121.7 -94.6 0.8 43.0 8.8 -15.2 238 244 A I - 0 0 27 -143,-0.4 2,-0.2 -141,-0.1 -141,-0.1 -0.524 63.1-130.1 -67.3 119.2 42.6 10.2 -18.7 239 245 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 94,-0.2 -0.474 22.8-169.7 -76.2 136.9 42.4 7.3 -21.3 240 246 A H B +G 332 0A 25 92,-1.8 92,-2.1 -2,-0.2 2,-0.3 -0.987 26.8 116.8-132.8 119.2 44.7 7.5 -24.3 241 247 A G - 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