==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 07-NOV-07 3BA8 . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR C.PINKO . 313 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 18.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 2 0 1 1 3 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 . 1 0 0 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 5 A P 0 0 192 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.1 3.7 50.4 4.1 2 6 A L - 0 0 76 4,-0.0 2,-0.0 3,-0.0 0, 0.0 -0.908 360.0-147.2-107.4 120.3 5.1 51.3 7.5 3 7 A T > - 0 0 89 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.294 27.9-108.5 -78.4 167.4 7.3 54.4 7.7 4 8 A L H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 119.7 54.9 -62.3 -38.0 10.1 54.8 10.2 5 9 A T H > S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.947 111.5 41.0 -61.3 -51.6 8.0 57.4 12.1 6 10 A A H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 115.6 51.7 -64.5 -41.7 5.1 55.0 12.6 7 11 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.886 104.6 55.7 -62.6 -41.5 7.3 52.1 13.3 8 12 A T H X S+ 0 0 64 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.886 114.0 41.2 -58.8 -39.7 9.3 54.0 16.0 9 13 A T H X S+ 0 0 78 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.926 116.0 48.3 -72.6 -48.4 6.0 54.7 17.8 10 14 A R H X S+ 0 0 62 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.835 104.3 60.9 -62.5 -36.4 4.5 51.2 17.3 11 15 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.919 105.2 47.6 -60.2 -43.1 7.7 49.5 18.5 12 16 A Q H X S+ 0 0 106 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.881 109.5 53.9 -65.1 -37.9 7.4 51.2 21.9 13 17 A E H X S+ 0 0 90 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.934 111.7 45.3 -60.4 -46.0 3.7 50.2 22.1 14 18 A L H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.915 110.1 52.4 -64.6 -46.5 4.7 46.6 21.4 15 19 A R H X S+ 0 0 36 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.937 112.1 47.3 -56.3 -47.3 7.6 46.5 23.9 16 20 A K H X S+ 0 0 143 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.927 116.9 41.7 -60.9 -47.3 5.4 47.8 26.6 17 21 A Q H X S+ 0 0 65 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.943 119.1 44.6 -66.5 -48.5 2.5 45.4 25.9 18 22 A L H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -2,-0.2 0.857 112.2 52.1 -64.9 -37.4 4.8 42.4 25.4 19 23 A N H X S+ 0 0 45 -4,-2.9 4,-2.3 -5,-0.4 -1,-0.2 0.863 108.3 51.7 -69.4 -32.3 6.9 43.2 28.4 20 24 A Q H X S+ 0 0 91 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.4 48.8 -67.0 -43.8 3.8 43.4 30.6 21 25 A Y H X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.885 111.8 49.0 -62.4 -40.4 2.8 39.9 29.3 22 26 A S H X>S+ 0 0 12 -4,-2.2 4,-3.6 2,-0.2 5,-0.8 0.894 107.4 55.3 -67.2 -38.6 6.3 38.6 30.0 23 27 A H H X>S+ 0 0 52 -4,-2.3 5,-1.9 1,-0.2 4,-1.3 0.925 112.4 43.0 -58.8 -43.5 6.1 40.1 33.5 24 28 A E H <5S+ 0 0 31 -4,-2.2 6,-3.1 3,-0.2 -2,-0.2 0.927 121.0 40.6 -67.4 -44.9 2.9 38.2 34.1 25 29 A Y H <5S+ 0 0 99 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.911 130.1 23.3 -71.4 -46.4 4.1 35.0 32.5 26 30 A Y H <5S+ 0 0 68 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.824 131.7 33.4 -93.1 -36.2 7.7 34.9 33.8 27 31 A V T <> - 0 0 135 -2,-0.2 3,-1.6 1,-0.1 4,-1.3 -0.430 38.2-108.3 -73.4 151.8 -3.0 33.1 25.7 35 39 A D H 3> S+ 0 0 89 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.809 115.7 62.1 -49.1 -38.9 0.4 32.4 24.1 36 40 A Y H 3> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.808 100.6 54.2 -62.3 -29.2 -0.9 33.1 20.5 37 41 A V H <> S+ 0 0 34 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.932 112.9 42.9 -68.4 -44.8 -1.8 36.7 21.5 38 42 A Y H X S+ 0 0 47 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.945 113.8 51.0 -64.8 -48.4 1.8 37.1 22.7 39 43 A D H X S+ 0 0 93 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.868 108.1 52.5 -57.9 -40.7 3.3 35.4 19.7 40 44 A R H X S+ 0 0 169 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.926 114.6 41.1 -62.9 -45.9 1.3 37.5 17.2 41 45 A L H X S+ 0 0 22 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.873 112.4 55.8 -70.5 -37.0 2.5 40.7 18.8 42 46 A Y H X S+ 0 0 57 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.922 107.8 49.1 -60.6 -44.1 6.0 39.4 19.2 43 47 A K H X S+ 0 0 130 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.890 107.3 54.4 -63.5 -40.3 6.1 38.6 15.5 44 48 A E H X S+ 0 0 68 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.929 110.7 46.9 -60.2 -42.9 4.9 42.1 14.6 45 49 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.905 109.7 52.4 -65.1 -42.5 7.7 43.6 16.7 46 50 A V H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 108.7 51.9 -60.1 -39.8 10.3 41.3 15.1 47 51 A D H X S+ 0 0 83 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.897 111.4 46.4 -64.0 -40.2 9.1 42.5 11.7 48 52 A I H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.928 113.9 47.4 -67.5 -44.9 9.5 46.1 12.7 49 53 A E H < S+ 0 0 9 -4,-2.9 7,-0.2 1,-0.2 -2,-0.2 0.822 110.3 53.3 -66.3 -31.4 12.9 45.5 14.2 50 54 A T H < S+ 0 0 104 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.891 112.3 43.8 -70.6 -39.7 14.0 43.6 11.1 51 55 A E H < S+ 0 0 132 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.887 132.1 22.0 -71.8 -39.9 13.0 46.4 8.8 52 56 A F >< + 0 0 46 -4,-2.5 3,-2.5 -5,-0.1 -1,-0.3 -0.702 66.2 179.5-131.0 81.0 14.5 49.1 11.0 53 57 A P G > S+ 0 0 86 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.714 76.6 74.7 -53.5 -22.2 17.2 47.5 13.3 54 58 A D G 3 S+ 0 0 147 1,-0.3 -5,-0.1 -3,-0.1 -3,-0.0 0.670 86.6 64.1 -66.8 -14.9 17.9 51.0 14.8 55 59 A L G < S+ 0 0 17 -3,-2.5 -1,-0.3 -6,-0.2 2,-0.2 0.519 74.6 113.4 -86.0 -6.3 14.6 50.6 16.7 56 60 A I < - 0 0 65 -3,-1.8 -45,-0.0 -7,-0.2 0, 0.0 -0.501 49.3-170.9 -68.3 131.1 16.0 47.6 18.7 57 61 A T > - 0 0 34 -2,-0.2 3,-1.7 1,-0.1 6,-0.2 -0.845 36.2-112.1-122.9 160.3 16.3 48.5 22.4 58 62 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.786 118.2 50.0 -60.7 -27.2 17.9 46.7 25.4 59 63 A D T 3 S+ 0 0 19 99,-0.1 99,-0.1 3,-0.0 100,-0.1 0.310 80.4 118.3 -97.0 11.1 14.5 46.2 26.9 60 64 A S X - 0 0 2 -3,-1.7 3,-2.3 1,-0.1 4,-0.2 -0.614 68.9-132.1 -76.9 133.0 12.9 44.7 23.8 61 65 A P G > S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.658 102.6 72.3 -59.9 -14.2 11.7 41.2 24.5 62 66 A T G > S+ 0 0 10 1,-0.2 3,-0.9 2,-0.1 4,-0.1 0.704 85.3 67.4 -73.8 -17.0 13.4 40.1 21.2 63 67 A Q G X S+ 0 0 80 -3,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.600 74.4 87.4 -78.3 -10.1 16.7 40.5 23.0 64 68 A R G < S+ 0 0 27 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.724 76.4 68.1 -60.4 -23.2 16.0 37.6 25.3 65 69 A V G < S- 0 0 72 -3,-0.9 -1,-0.3 1,-0.2 149,-0.2 0.599 95.6-149.0 -75.2 -9.4 17.5 35.2 22.8 66 70 A G < - 0 0 30 -3,-1.9 -1,-0.2 85,-0.1 3,-0.1 -0.243 28.7-179.1 72.8-165.4 21.0 36.7 23.3 67 71 A G + 0 0 52 1,-0.5 2,-0.1 -3,-0.1 -1,-0.1 0.097 42.7 111.2 156.6 -27.7 23.6 36.9 20.6 68 72 A K - 0 0 119 80,-0.1 142,-2.1 141,-0.1 -1,-0.5 -0.421 47.0-159.1 -74.0 147.2 26.7 38.4 22.1 69 73 A V B -A 209 0A 92 140,-0.2 140,-0.2 141,-0.1 2,-0.2 -0.979 9.7-153.7-130.4 116.1 29.8 36.3 22.7 70 74 A L - 0 0 47 138,-2.3 3,-0.1 -2,-0.4 138,-0.1 -0.489 19.3-142.4 -89.7 160.9 32.4 37.4 25.2 71 75 A S S S- 0 0 134 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.668 82.5 -39.1 -89.0 -22.2 36.1 36.7 25.4 72 76 A G S S- 0 0 33 136,-0.1 -1,-0.4 -3,-0.0 2,-0.4 -0.949 73.8 -74.6 175.9 176.8 35.8 36.4 29.1 73 77 A F - 0 0 43 -2,-0.3 2,-0.1 -3,-0.1 73,-0.1 -0.787 37.5-131.0 -99.5 138.2 34.1 38.0 32.1 74 78 A E - 0 0 142 71,-0.5 71,-2.8 -2,-0.4 2,-0.1 -0.447 38.1 -94.1 -77.4 156.8 35.1 41.3 33.6 75 79 A K E -B 144 0B 176 69,-0.2 69,-0.2 -2,-0.1 -1,-0.1 -0.495 35.8-155.0 -71.7 144.2 35.7 41.5 37.3 76 80 A A E -B 143 0B 0 67,-2.7 67,-3.0 -2,-0.1 2,-0.1 -0.880 9.3-154.2-124.9 96.9 32.6 42.6 39.2 77 81 A P E -B 142 0B 65 0, 0.0 2,-0.5 0, 0.0 65,-0.3 -0.361 6.7-149.3 -71.6 152.0 33.3 44.2 42.6 78 82 A H - 0 0 7 63,-2.7 4,-0.1 1,-0.1 -2,-0.0 -0.850 14.2-179.9-120.6 89.6 30.9 44.2 45.4 79 83 A D S S+ 0 0 158 -2,-0.5 -1,-0.1 1,-0.2 63,-0.0 0.849 88.1 52.6 -57.7 -34.3 31.5 47.4 47.5 80 84 A I S S- 0 0 69 -3,-0.1 -1,-0.2 61,-0.0 147,-0.0 -0.920 111.9-123.5 -99.1 102.9 28.7 46.2 49.6 81 85 A P - 0 0 43 0, 0.0 2,-1.0 0, 0.0 60,-0.2 -0.087 6.5-132.1 -52.5 146.0 30.1 42.7 50.3 82 86 A M - 0 0 11 58,-2.9 60,-0.1 55,-0.2 39,-0.0 -0.824 33.7-167.1-101.0 92.3 28.1 39.6 49.4 83 87 A Y - 0 0 77 -2,-1.0 2,-0.2 1,-0.1 220,-0.2 -0.155 12.4-128.3 -72.3 171.9 28.5 37.5 52.5 84 88 A S - 0 0 61 218,-1.9 2,-0.3 220,-0.0 -1,-0.1 -0.593 30.0 -95.6-111.8 178.2 27.6 33.9 52.9 85 89 A L - 0 0 58 -2,-0.2 2,-0.2 218,-0.2 223,-0.1 -0.785 22.8-123.5-105.4 145.5 25.4 32.3 55.6 86 90 A N - 0 0 81 221,-0.4 223,-2.9 218,-0.4 2,-0.3 -0.564 39.3-124.5 -76.6 144.4 26.3 30.6 58.8 87 91 A D E -c 309 0C 68 -2,-0.2 2,-0.3 221,-0.2 223,-0.2 -0.673 25.0-173.6-101.8 151.3 24.9 27.0 59.0 88 92 A G E +c 310 0C 0 221,-2.7 223,-3.0 -2,-0.3 3,-0.1 -0.979 7.1 174.4-134.8 145.2 22.7 25.1 61.3 89 93 A F + 0 0 120 -2,-0.3 2,-0.3 221,-0.2 -1,-0.1 0.578 59.9 47.4-128.1 -18.5 21.9 21.4 61.2 90 94 A S S > S- 0 0 37 1,-0.1 4,-1.9 0, 0.0 3,-0.4 -0.834 81.4-111.2-125.7 163.8 19.8 20.5 64.2 91 95 A K H > S+ 0 0 104 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.878 121.9 55.7 -59.0 -35.3 16.8 21.9 66.1 92 96 A E H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.848 102.9 54.8 -66.6 -33.0 19.2 22.7 68.9 93 97 A D H > S+ 0 0 51 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.935 109.8 46.5 -64.6 -44.4 21.4 24.7 66.4 94 98 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 115.2 45.0 -65.0 -41.3 18.3 26.8 65.4 95 99 A F H X S+ 0 0 58 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.848 111.2 53.9 -72.1 -31.9 17.3 27.4 69.0 96 100 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 107.4 51.7 -65.7 -41.8 20.8 28.1 70.0 97 101 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 109.5 49.8 -58.7 -46.3 20.9 30.8 67.2 98 102 A D H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.891 108.3 52.9 -60.7 -40.8 17.7 32.2 68.6 99 103 A E H X S+ 0 0 122 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.921 109.5 48.3 -62.0 -43.4 19.2 32.4 72.1 100 104 A R H X S+ 0 0 123 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 111.8 50.1 -63.7 -40.4 22.2 34.3 70.9 101 105 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.936 112.5 45.9 -64.0 -46.9 20.0 36.7 69.0 102 106 A R H X S+ 0 0 106 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.909 109.4 55.9 -63.4 -40.1 17.8 37.4 72.0 103 107 A K H < S+ 0 0 184 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.902 114.1 40.1 -58.9 -41.0 20.9 37.7 74.2 104 108 A A H < S+ 0 0 56 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.898 122.6 37.8 -76.3 -42.8 22.2 40.5 72.0 105 109 A I H < S- 0 0 20 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.873 96.9-135.0 -78.4 -38.7 19.0 42.3 71.2 106 110 A G S < S+ 0 0 64 -4,-3.0 -3,-0.1 -5,-0.3 -4,-0.1 0.696 72.2 53.2 92.0 21.3 17.4 42.0 74.7 107 111 A K S S- 0 0 119 -5,-0.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.968 98.3 -64.4-172.0 164.6 13.9 41.0 73.7 108 112 A P - 0 0 110 0, 0.0 2,-0.4 0, 0.0 151,-0.1 -0.306 53.3-150.5 -59.7 147.7 12.0 38.5 71.6 109 113 A V - 0 0 6 149,-0.1 2,-0.2 -11,-0.1 -7,-0.1 -0.976 6.7-132.1-127.9 137.1 12.7 38.8 67.9 110 114 A A - 0 0 17 -2,-0.4 179,-2.3 149,-0.0 2,-0.4 -0.566 22.7-150.5 -83.3 149.9 10.5 38.1 64.8 111 115 A Y E -DE 257 288C 0 146,-3.3 146,-3.9 177,-0.2 2,-0.7 -0.976 10.8-145.9-127.5 135.1 12.0 36.1 61.9 112 116 A C E -DE 256 287C 0 175,-2.9 175,-2.3 -2,-0.4 2,-0.4 -0.878 26.0-156.4 -95.9 119.7 11.3 36.2 58.2 113 117 A C E +DE 255 286C 0 142,-3.1 142,-2.0 -2,-0.7 2,-0.3 -0.850 16.0 174.1-105.3 136.0 11.8 32.6 57.0 114 118 A E E - E 0 285C 13 171,-2.4 171,-3.0 -2,-0.4 2,-0.3 -0.916 36.0-102.2-134.0 159.1 12.5 31.7 53.4 115 119 A L E - E 0 284C 7 -2,-0.3 2,-1.2 169,-0.2 169,-0.3 -0.611 36.2-121.8 -80.5 141.2 13.4 28.6 51.4 116 120 A K E - E 0 283C 45 167,-2.6 166,-1.5 -2,-0.3 167,-0.6 -0.732 28.4-146.7 -87.3 98.2 17.1 28.2 50.6 117 121 A I E - E 0 281C 9 -2,-1.2 2,-1.2 164,-0.2 164,-0.2 -0.466 8.9-132.9 -67.2 128.8 17.1 28.0 46.8 118 122 A D + 0 0 35 162,-2.1 56,-0.3 -2,-0.2 162,-0.2 -0.698 68.3 79.6 -87.8 96.6 19.9 25.8 45.5 119 123 A G S S- 0 0 10 -2,-1.2 2,-0.4 54,-0.1 54,-0.2 -0.626 85.8 -46.0-159.2-140.6 21.5 27.8 42.7 120 124 A L E -G 172 0D 30 52,-2.9 52,-2.9 -2,-0.2 2,-0.4 -0.925 49.5-123.6-114.9 137.5 24.0 30.6 42.2 121 125 A A E -G 171 0D 4 -2,-0.4 16,-1.5 50,-0.2 2,-0.3 -0.656 37.3-179.2 -82.1 133.5 23.9 33.8 44.2 122 126 A I E -GH 170 136D 0 48,-2.9 48,-2.0 -2,-0.4 2,-0.4 -0.887 22.8-145.6-132.6 163.2 23.7 36.9 42.0 123 127 A S E -GH 169 135D 2 12,-2.3 12,-2.2 -2,-0.3 2,-0.4 -0.990 12.4-162.1-128.8 135.9 23.5 40.7 42.3 124 128 A L E -GH 168 134D 0 44,-3.5 44,-2.7 -2,-0.4 2,-0.4 -0.979 2.6-163.6-123.7 128.1 21.5 43.0 40.0 125 129 A R E -GH 167 133D 87 8,-2.9 7,-2.7 -2,-0.4 8,-1.5 -0.929 5.2-171.0-114.9 132.8 22.1 46.7 39.7 126 130 A Y E -GH 166 131D 2 40,-3.0 40,-0.8 -2,-0.4 2,-0.5 -0.922 8.3-160.6-121.4 145.1 19.6 49.1 38.1 127 131 A E E > S- H 0 130D 95 3,-2.5 3,-2.2 -2,-0.4 38,-0.2 -0.976 81.4 -18.4-127.9 115.9 20.1 52.8 37.2 128 132 A N T 3 S- 0 0 114 -2,-0.5 36,-0.2 1,-0.3 37,-0.2 0.830 131.1 -51.9 58.3 31.1 17.0 54.9 36.7 129 133 A G T 3 S+ 0 0 1 35,-2.1 31,-2.7 1,-0.3 2,-0.4 0.285 113.5 121.7 90.3 -9.9 15.1 51.7 36.3 130 134 A V E < -HI 127 159D 50 -3,-2.2 -3,-2.5 29,-0.2 2,-0.4 -0.741 68.0-119.3 -93.6 131.1 17.5 50.3 33.6 131 135 A F E +H 126 0D 3 27,-2.2 -5,-0.2 -2,-0.4 3,-0.1 -0.512 45.0 158.3 -65.5 120.5 19.3 47.0 34.1 132 136 A V E + 0 0 48 -7,-2.7 2,-0.3 -2,-0.4 -6,-0.2 0.618 55.1 22.2-121.3 -21.0 23.1 47.9 34.0 133 137 A R E -H 125 0D 17 -8,-1.5 -8,-2.9 14,-0.1 2,-0.4 -0.961 46.6-176.8-154.8 137.1 25.0 45.1 35.8 134 138 A G E +H 124 0D 0 -2,-0.3 12,-1.4 -10,-0.2 13,-0.6 -0.995 21.0 174.3-127.9 134.5 24.5 41.5 36.8 135 139 A A E -HJ 123 145D 0 -12,-2.2 -12,-2.3 -2,-0.4 10,-0.2 -0.988 29.4-122.3-145.6 152.8 27.2 39.7 38.8 136 140 A T E -H 122 0D 9 8,-1.8 -14,-0.2 -2,-0.3 3,-0.1 -0.501 32.0-117.5 -85.1 160.0 28.0 36.5 40.6 137 141 A R > + 0 0 75 -16,-1.5 3,-2.3 1,-0.2 5,-0.3 0.884 52.4 167.1 -65.6 -36.7 28.8 36.5 44.3 138 142 A G T 3 S- 0 0 53 1,-0.3 5,-0.3 -17,-0.2 -1,-0.2 -0.387 70.4 -17.3 59.6-128.1 32.3 35.1 43.5 139 143 A D T 3 S- 0 0 118 3,-2.2 -1,-0.3 -3,-0.1 4,-0.1 0.334 101.3 -98.1 -92.1 7.0 34.5 35.4 46.5 140 144 A G S < S+ 0 0 10 -3,-2.3 -58,-2.9 2,-0.2 3,-0.1 -0.101 118.3 44.1 106.4 -38.3 32.3 37.9 48.2 141 145 A T S S+ 0 0 83 1,-0.3 -63,-2.7 -60,-0.2 2,-0.4 0.589 121.6 30.8-112.2 -20.3 34.1 41.1 47.3 142 146 A V E +B 77 0B 52 -65,-0.3 -3,-2.2 -5,-0.3 -1,-0.3 -0.968 67.6 158.4-143.3 123.7 34.7 40.4 43.6 143 147 A G E -B 76 0B 7 -67,-3.0 -67,-2.7 -2,-0.4 2,-0.4 -0.413 44.9 -74.6-122.6-159.6 32.6 38.2 41.3 144 148 A E E -B 75 0B 79 -69,-0.2 -8,-1.8 -2,-0.2 2,-1.2 -0.860 35.6-123.0-108.1 140.7 32.2 37.9 37.6 145 149 A N B +J 135 0D 42 -71,-2.8 -71,-0.5 -2,-0.4 -10,-0.2 -0.702 40.7 162.5 -82.8 99.6 30.3 40.4 35.5 146 150 A I > + 0 0 1 -12,-1.4 4,-2.3 -2,-1.2 5,-0.2 -0.096 24.4 130.7-110.0 33.5 27.6 38.2 33.8 147 151 A T H > S+ 0 0 6 -13,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.916 71.5 50.3 -50.6 -52.7 25.3 41.1 32.8 148 152 A E H 4 S+ 0 0 48 1,-0.2 4,-0.4 -3,-0.2 3,-0.3 0.870 110.7 49.1 -58.7 -40.0 25.0 39.8 29.2 149 153 A N H >4 S+ 0 0 2 1,-0.2 3,-1.6 -3,-0.2 4,-0.3 0.910 108.4 53.7 -66.7 -41.4 24.1 36.3 30.2 150 154 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.3 6,-0.2 0.705 92.6 71.9 -68.5 -17.6 21.5 37.6 32.7 151 155 A R T 3< S+ 0 0 61 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.765 97.9 52.3 -67.0 -21.4 19.8 39.6 29.9 152 156 A T T < S+ 0 0 4 -3,-1.6 2,-0.9 -4,-0.4 -1,-0.2 0.576 80.2 101.5 -91.0 -9.4 18.6 36.2 28.6 153 157 A V S X S- 0 0 3 -3,-0.9 3,-2.3 -4,-0.3 66,-0.1 -0.674 70.2-145.5 -78.8 107.8 17.1 35.0 31.9 154 158 A R T 3 S+ 0 0 66 -2,-0.9 -1,-0.2 64,-0.3 -128,-0.2 0.708 91.7 55.1 -47.8 -32.1 13.4 35.6 31.2 155 159 A S T 3 S+ 0 0 2 63,-0.3 94,-0.3 -129,-0.1 -1,-0.3 0.574 85.2 95.6 -83.4 -7.7 12.4 36.6 34.8 156 160 A V S < S- 0 0 1 -3,-2.3 2,-0.2 -6,-0.2 92,-0.1 -0.739 76.0-132.7 -85.8 116.2 15.1 39.4 35.0 157 161 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.445 13.6-162.2 -71.0 137.3 13.5 42.7 34.2 158 162 A M S S+ 0 0 17 1,-0.3 -27,-2.2 -2,-0.2 2,-0.4 0.716 87.2 26.4 -87.2 -24.7 15.4 45.0 31.7 159 163 A R B S-I 130 0D 144 -29,-0.2 -1,-0.3 -100,-0.1 -29,-0.2 -0.973 86.3-133.0-140.8 122.7 13.4 48.0 32.9 160 164 A L - 0 0 13 -31,-2.7 87,-0.2 -2,-0.4 86,-0.1 -0.132 26.3-108.5 -69.7 168.9 11.8 48.3 36.4 161 165 A T S S+ 0 0 87 85,-1.9 86,-0.1 1,-0.1 -1,-0.1 0.734 110.2 33.1 -69.3 -23.3 8.2 49.4 37.1 162 166 A E S S- 0 0 112 84,-0.4 2,-3.0 2,-0.1 -2,-0.2 -0.993 92.0-114.2-133.7 139.7 9.7 52.6 38.5 163 167 A P + 0 0 91 0, 0.0 -34,-0.2 0, 0.0 2,-0.2 -0.233 66.2 144.0 -71.0 57.4 12.8 54.4 37.2 164 168 A I - 0 0 27 -2,-3.0 -35,-2.1 -36,-0.2 2,-0.6 -0.602 50.0-129.6-100.1 159.0 14.7 53.8 40.5 165 169 A S + 0 0 46 -37,-0.2 2,-0.3 -2,-0.2 -38,-0.2 -0.928 48.1 134.5-109.6 114.8 18.4 53.1 41.1 166 170 A V E -G 126 0D 2 -40,-0.8 -40,-3.0 -2,-0.6 2,-0.4 -0.954 45.6-134.4-151.9 166.3 19.0 50.1 43.3 167 171 A E E +GK 125 227D 17 60,-1.6 59,-2.1 -2,-0.3 60,-2.1 -0.995 28.7 179.3-128.8 125.0 21.0 46.9 43.8 168 172 A V E -GK 124 225D 0 -44,-2.7 -44,-3.5 -2,-0.4 2,-0.3 -0.849 12.5-148.4-124.7 161.0 19.3 43.7 44.7 169 173 A R E +GK 123 224D 19 55,-2.9 54,-2.6 -2,-0.3 55,-2.3 -0.958 28.1 130.5-132.6 149.2 20.4 40.2 45.3 170 174 A G E -GK 122 222D 0 -48,-2.0 -48,-2.9 -2,-0.3 2,-0.4 -0.884 50.3 -67.5-166.5-162.2 18.9 36.8 44.8 171 175 A E E -GK 121 221D 18 50,-2.8 50,-1.7 -2,-0.3 2,-0.5 -0.892 25.7-157.3-114.0 138.6 19.4 33.3 43.5 172 176 A C E +GK 120 220D 0 -52,-2.9 -52,-2.9 -2,-0.4 2,-0.3 -0.968 33.1 159.6-109.6 128.1 19.6 32.3 39.8 173 177 A Y E - K 0 219D 7 46,-2.5 46,-2.9 -2,-0.5 -54,-0.1 -0.890 41.5-115.1-144.0 174.0 18.7 28.6 39.4 174 178 A M - 0 0 2 -56,-0.3 106,-0.3 -2,-0.3 44,-0.1 -0.965 35.1-123.1-117.0 120.1 17.5 25.9 37.0 175 179 A P > - 0 0 24 0, 0.0 4,-2.2 0, 0.0 104,-0.2 -0.224 26.5-111.8 -57.7 150.7 14.1 24.3 37.6 176 180 A K H > S+ 0 0 59 102,-2.4 4,-2.7 1,-0.2 5,-0.2 0.906 117.1 54.8 -49.5 -49.3 14.0 20.5 38.0 177 181 A Q H > S+ 0 0 153 101,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.912 111.4 43.0 -51.4 -50.6 12.2 20.1 34.6 178 182 A S H > S+ 0 0 24 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.820 110.7 56.3 -68.2 -32.3 14.9 22.1 32.7 179 183 A F H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 110.1 45.9 -64.4 -45.4 17.7 20.3 34.6 180 184 A V H X S+ 0 0 88 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.955 113.2 47.8 -62.5 -51.8 16.3 17.0 33.5 181 185 A A H X S+ 0 0 59 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.902 111.9 52.0 -56.9 -42.8 15.8 18.0 29.8 182 186 A L H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.910 108.1 48.7 -61.3 -47.2 19.3 19.5 29.7 183 187 A N H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.878 109.8 53.1 -63.0 -36.7 21.1 16.4 31.0 184 188 A E H X S+ 0 0 98 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.900 109.5 49.6 -63.5 -39.6 19.2 14.3 28.5 185 189 A E H X S+ 0 0 107 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.902 111.2 48.3 -65.5 -41.5 20.4 16.7 25.8 186 190 A R H <>S+ 0 0 32 -4,-2.4 5,-3.3 2,-0.2 -2,-0.2 0.870 109.6 52.5 -67.8 -35.8 24.0 16.4 27.0 187 191 A E H ><5S+ 0 0 124 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.908 108.1 52.5 -64.6 -39.5 23.7 12.6 27.1 188 192 A E H 3<5S+ 0 0 133 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 111.6 45.8 -65.0 -31.5 22.5 12.8 23.5 189 193 A N T 3<5S- 0 0 94 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.176 117.6-107.5 -99.4 17.1 25.5 14.8 22.5 190 194 A G T < 5S+ 0 0 73 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.759 73.3 140.4 65.5 26.0 28.1 12.7 24.4 191 195 A Q < - 0 0 91 -5,-3.3 2,-0.3 -6,-0.2 -1,-0.2 -0.628 61.0 -99.8 -99.9 159.5 28.6 15.3 27.1 192 196 A D - 0 0 142 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.610 43.5-126.3 -75.2 132.1 29.1 14.8 30.8 193 197 A I - 0 0 82 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 -0.270 24.5-100.8 -74.6 166.0 25.9 15.5 32.6 194 198 A F - 0 0 31 -15,-0.2 -1,-0.1 1,-0.1 -11,-0.1 -0.759 22.4-136.8 -88.7 135.3 25.6 18.0 35.5 195 199 A A S S- 0 0 81 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 0.821 80.5 -10.8 -60.1 -33.7 25.6 16.4 38.9 196 200 A N S > S- 0 0 51 1,-0.0 4,-2.0 -3,-0.0 3,-0.2 -0.975 75.8 -93.9-159.7 165.8 22.8 18.7 40.1 197 201 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.813 120.1 60.9 -57.2 -30.1 20.8 21.8 39.2 198 202 A R H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.962 108.8 41.1 -62.2 -50.2 23.2 23.9 41.2 199 203 A N H > S+ 0 0 52 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.835 113.1 55.9 -65.7 -32.0 26.1 22.9 39.0 200 204 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 109.4 45.7 -66.0 -41.9 23.9 23.2 35.9 201 205 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 114.3 48.2 -66.8 -44.4 23.1 26.8 36.8 202 206 A A H X S+ 0 0 2 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.926 113.4 46.1 -63.0 -47.1 26.7 27.6 37.6 203 207 A G H >< S+ 0 0 5 -4,-2.7 3,-0.8 1,-0.2 4,-0.5 0.901 111.1 53.9 -63.2 -40.2 28.0 26.0 34.4 204 208 A S H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.912 108.2 48.3 -59.9 -45.4 25.3 27.8 32.4 205 209 A L H 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.573 104.3 61.8 -74.0 -8.5 26.2 31.2 33.7 206 210 A R T << S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.540 79.1 111.6 -90.8 -9.7 29.9 30.5 33.0 207 211 A Q < - 0 0 67 -3,-1.2 -58,-0.1 -4,-0.5 -137,-0.1 -0.433 57.2-156.4 -66.0 135.2 29.1 30.2 29.2 208 212 A L S S+ 0 0 59 -2,-0.1 -138,-2.3 1,-0.1 2,-0.9 0.686 76.2 78.5 -87.2 -19.1 30.5 33.0 27.2 209 213 A D B >> -A 69 0A 47 -140,-0.2 4,-1.5 1,-0.2 3,-1.4 -0.805 65.5-161.8 -94.2 105.9 28.0 32.7 24.4 210 214 A T H 3> S+ 0 0 2 -142,-2.1 4,-2.7 -2,-0.9 5,-0.2 0.772 86.9 67.2 -56.4 -28.6 24.8 34.3 25.5 211 215 A K H 3> S+ 0 0 113 -143,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.867 103.6 45.7 -61.6 -34.7 22.8 32.4 22.8 212 216 A I H X> S+ 0 0 56 -3,-1.4 3,-1.0 2,-0.2 4,-0.5 0.923 110.8 51.7 -72.9 -45.9 23.6 29.2 24.7 213 217 A V H >< S+ 0 0 2 -4,-1.5 3,-2.0 1,-0.3 5,-0.4 0.915 102.3 61.0 -56.8 -44.4 22.7 30.7 28.1 214 218 A A H >< S+ 0 0 7 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.785 103.8 50.7 -54.5 -30.1 19.3 31.8 26.7 215 219 A K H << S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.557 89.6 80.4 -86.8 -7.9 18.4 28.2 26.0 216 220 A R T << S- 0 0 34 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.540 90.7-136.1 -76.4 -6.9 19.3 27.0 29.5 217 221 A N < + 0 0 97 -3,-0.6 -39,-0.1 -4,-0.3 -3,-0.1 0.881 34.8 177.3 54.0 47.0 16.0 28.2 30.9 218 222 A L - 0 0 12 -5,-0.4 -63,-0.3 -44,-0.1 -64,-0.3 -0.394 6.4-168.1 -76.3 158.2 17.4 29.7 34.1 219 223 A N E -K 173 0D 25 -46,-2.9 -46,-2.5 -65,-0.1 2,-0.3 -0.846 5.5-135.2-138.7 175.0 15.0 31.5 36.5 220 224 A T E -K 172 0D 0 -2,-0.3 2,-0.3 -48,-0.2 -48,-0.2 -0.920 16.1-167.9-139.6 164.0 15.3 33.7 39.6 221 225 A F E -K 171 0D 6 -50,-1.7 -50,-2.8 -2,-0.3 2,-0.4 -0.925 21.8-151.5-146.2 115.4 14.1 34.6 43.1 222 226 A L E +K 170 0D 2 27,-3.0 29,-0.4 -2,-0.3 -52,-0.3 -0.776 27.0 156.7 -94.7 138.0 15.2 37.9 44.6 223 227 A Y E + 0 0 50 -54,-2.6 2,-0.4 -2,-0.4 -53,-0.2 0.445 48.2 61.1-140.3 -2.0 15.6 38.2 48.4 224 228 A T E -K 169 0D 39 -55,-2.3 -55,-2.9 15,-0.1 2,-0.8 -0.988 52.7-152.7-138.3 134.0 17.9 41.0 49.4 225 229 A V E +K 168 0D 10 -2,-0.4 -57,-0.2 -57,-0.2 3,-0.2 -0.904 23.7 168.4 -98.3 111.3 17.9 44.8 49.0 226 230 A A E S+ 0 0 20 -59,-2.1 2,-0.6 -2,-0.8 -58,-0.2 0.871 74.4 27.5 -89.7 -48.2 21.6 45.7 49.1 227 231 A D E S-K 167 0D 76 -60,-2.1 -60,-1.6 1,-0.1 -1,-0.3 -0.935 72.3-167.2-119.9 103.3 21.4 49.3 47.9 228 232 A F > + 0 0 62 -2,-0.6 3,-2.8 -3,-0.2 -1,-0.1 0.765 12.5 174.2 -60.9 -34.2 17.9 50.7 48.8 229 233 A G T 3 S- 0 0 46 1,-0.3 -1,-0.2 -65,-0.1 -63,-0.1 -0.429 80.3 -17.0 56.3-125.3 18.0 53.9 46.7 230 234 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.462 103.0 128.6 -89.2 -2.1 14.4 55.2 47.3 231 235 A M < - 0 0 13 -3,-2.8 -3,-0.1 1,-0.1 8,-0.0 -0.244 43.9-159.4 -57.4 140.7 13.0 51.9 48.6 232 236 A K + 0 0 155 6,-0.1 -1,-0.1 7,-0.0 7,-0.1 0.568 40.1 132.9-100.3 -12.6 11.1 52.2 51.9 233 237 A A - 0 0 9 5,-0.2 3,-0.1 1,-0.1 -5,-0.0 -0.061 27.5-178.8 -43.9 137.8 11.1 48.6 53.4 234 238 A K + 0 0 154 1,-0.1 57,-2.4 57,-0.0 58,-0.5 0.448 67.2 40.5-117.2 -9.8 12.1 48.5 57.0 235 239 A T B > S-L 290 0E 7 55,-0.2 4,-2.1 56,-0.1 55,-0.2 -0.912 84.4-113.7-134.7 162.6 11.9 44.8 57.5 236 240 A Q H > S+ 0 0 5 53,-2.3 4,-2.3 -2,-0.3 5,-0.2 0.915 117.9 52.8 -63.3 -43.7 12.9 41.8 55.4 237 241 A F H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 111.4 47.6 -58.8 -41.7 9.2 40.7 55.0 238 242 A E H > S+ 0 0 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