==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 18-DEC-10 2Y35 . COMPND 2 MOLECULE: LD22664P; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.JINEK,S.M.COYLE,J.A.DOUDNA . 1026 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 1 3 4 0 2 2 1 2 1 0 0 0 2 1 1 1 1 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 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 6 6 5 5 3 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 . 2 3 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-108.8 44.6 26.8 29.2 2 2 A G + 0 0 48 213,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.225 360.0 18.8 96.9 -39.7 47.4 28.9 30.8 3 3 A V S S- 0 0 7 190,-0.0 5,-0.1 0, 0.0 191,-0.0 -0.955 99.7 -84.0-158.7 144.6 48.3 25.9 32.8 4 4 A P > - 0 0 44 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.082 37.3-120.4 -48.2 145.6 47.7 22.1 32.5 5 5 A K H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.821 113.6 51.8 -60.9 -35.7 44.4 20.8 33.9 6 6 A F H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.956 110.7 46.7 -63.6 -54.2 46.2 18.5 36.4 7 7 A F H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.936 113.5 50.4 -52.6 -50.2 48.3 21.3 37.7 8 8 A R H X S+ 0 0 57 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.906 112.6 47.8 -53.3 -45.5 45.2 23.5 38.0 9 9 A Y H >X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 3,-1.2 0.979 116.5 36.0 -67.6 -61.7 43.3 20.8 39.8 10 10 A I H 3X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.761 114.7 61.7 -65.8 -20.0 45.8 19.7 42.5 11 11 A S H 3< S+ 0 0 0 -4,-1.6 7,-0.4 -5,-0.5 -1,-0.3 0.747 110.5 38.1 -76.3 -24.8 46.8 23.3 42.7 12 12 A E H << S+ 0 0 28 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.688 111.5 56.9 -94.4 -25.0 43.3 24.3 43.8 13 13 A R H < S+ 0 0 15 -4,-2.1 597,-2.0 1,-0.3 -2,-0.2 0.785 120.4 32.1 -75.3 -27.1 42.6 21.3 46.0 14 14 A Y S >< S- 0 0 0 -4,-1.2 3,-2.1 -5,-0.2 4,-0.3 -0.768 77.6-173.9-128.8 86.3 45.7 22.2 48.0 15 15 A P G > S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 671,-0.1 0.789 79.5 55.4 -55.9 -39.1 46.0 26.0 47.8 16 16 A C G 3 S+ 0 0 0 669,-0.3 669,-0.1 1,-0.2 -4,-0.1 0.510 91.6 81.6 -71.6 -2.4 49.4 26.4 49.5 17 17 A L G < S+ 0 0 0 -3,-2.1 219,-2.1 -6,-0.2 2,-0.3 0.814 91.8 30.6 -77.4 -34.5 50.9 24.1 47.0 18 18 A S E < +A 235 0A 2 -3,-0.8 2,-0.3 -7,-0.4 217,-0.2 -0.893 60.3 177.8-132.6 154.0 51.6 26.3 44.0 19 19 A E E -A 234 0A 8 215,-2.3 215,-2.6 -2,-0.3 2,-0.6 -0.969 32.9-124.5-150.7 165.9 52.4 29.9 43.3 20 20 A L E +A 233 0A 17 978,-0.4 2,-0.2 -2,-0.3 213,-0.2 -0.961 47.1 169.4-110.3 107.1 53.2 32.6 40.7 21 21 A A E -A 232 0A 1 211,-2.6 211,-2.6 -2,-0.6 2,-0.2 -0.752 27.3-125.1-120.5 164.5 56.5 34.1 41.8 22 22 A R E >> -A 231 0A 8 -2,-0.2 3,-2.0 209,-0.2 4,-1.2 -0.563 46.1 -78.8-105.1 172.6 59.1 36.4 40.3 23 23 A E T 34 S+ 0 0 25 207,-0.8 3,-0.5 205,-0.5 206,-0.1 0.799 127.6 48.0 -33.3 -53.0 62.9 36.0 39.8 24 24 A H T 34 S+ 0 0 119 1,-0.2 -1,-0.3 204,-0.2 204,-0.0 0.666 106.1 55.3 -72.8 -21.1 63.8 36.7 43.5 25 25 A C T <4 S+ 0 0 27 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.750 78.7 106.2 -83.0 -26.6 61.2 34.4 45.1 26 26 A I S < S- 0 0 19 -4,-1.2 3,-0.1 -3,-0.5 554,-0.0 -0.376 78.4-117.1 -52.3 123.2 62.4 31.3 43.3 27 27 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.148 32.8 -89.2 -59.8 158.4 64.3 29.2 45.9 28 28 A E - 0 0 90 44,-0.1 2,-0.3 1,-0.0 552,-0.1 -0.471 49.4-162.4 -71.6 142.1 68.0 28.4 45.6 29 29 A F - 0 0 0 42,-0.5 44,-3.3 41,-0.4 159,-0.2 -0.892 30.9-165.9-128.7 153.2 68.8 25.2 43.6 30 30 A D S S+ 0 0 8 157,-1.8 45,-3.6 -2,-0.3 44,-1.7 0.744 84.7 36.9 -99.5 -39.2 71.7 22.8 43.1 31 31 A N E -bc 75 188A 3 156,-1.6 158,-2.5 43,-0.2 2,-0.5 -0.953 59.1-171.6-122.6 124.9 70.3 21.0 40.1 32 32 A L E -bc 76 189A 1 43,-2.4 45,-2.5 -2,-0.5 2,-0.6 -0.955 7.2-164.5-107.5 126.0 68.3 22.4 37.1 33 33 A Y E -bc 77 190A 0 156,-2.7 158,-2.6 -2,-0.5 2,-0.5 -0.913 9.7-166.2-110.8 110.5 66.8 19.8 34.7 34 34 A L E -b 78 0A 1 43,-2.1 45,-2.9 -2,-0.6 2,-0.6 -0.835 9.6-156.0-107.0 122.9 65.7 21.5 31.4 35 35 A D E > -b 79 0A 24 -2,-0.5 4,-0.6 156,-0.3 3,-0.2 -0.849 9.6-169.2-103.3 119.6 63.5 19.7 28.9 36 36 A M H > + 0 0 0 43,-1.2 4,-3.3 -2,-0.6 5,-0.3 0.658 64.2 80.0 -91.0 -23.8 64.0 21.2 25.4 37 37 A N H > S+ 0 0 23 42,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.911 97.2 50.7 -58.7 -42.2 61.3 19.9 23.0 38 38 A G H > S+ 0 0 41 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.983 114.1 44.3 -50.8 -63.2 58.8 22.4 24.3 39 39 A I H X S+ 0 0 2 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.918 110.6 52.2 -48.4 -56.9 61.3 25.2 23.9 40 40 A V H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 5,-0.2 0.908 111.0 50.9 -50.3 -42.1 62.5 24.1 20.4 41 41 A H H X S+ 0 0 67 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.924 110.3 48.1 -58.3 -47.3 58.8 24.1 19.5 42 42 A N H < S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 117.3 41.6 -62.0 -40.7 58.2 27.6 20.9 43 43 A C H < S+ 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.736 116.2 46.4 -81.5 -25.9 61.2 29.0 19.0 44 44 A S H < S+ 0 0 4 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.846 126.3 9.7 -90.8 -34.5 60.8 27.3 15.7 45 45 A H < 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.314 360.0 360.0-152.1 63.4 57.2 27.7 14.9 46 46 A P 0 0 131 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 0.162 360.0 360.0 -78.4 360.0 55.0 30.1 17.0 47 ! 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 48 53 A F 0 0 150 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.7 55.6 34.4 9.8 49 54 A H + 0 0 137 66,-0.1 2,-0.3 2,-0.0 -4,-0.1 -0.967 360.0 167.6-161.8 144.3 59.1 33.2 9.0 50 55 A L - 0 0 45 -2,-0.3 2,-0.2 -6,-0.2 66,-0.1 -0.974 26.6-129.9-145.9 155.1 62.6 32.5 10.4 51 56 A E > - 0 0 115 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.635 38.2 -97.8-100.4 164.5 65.7 30.7 9.1 52 57 A E H > S+ 0 0 57 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.904 123.3 56.1 -48.0 -50.1 67.6 28.0 11.0 53 58 A E H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 110.0 45.8 -48.7 -52.5 70.2 30.5 12.2 54 59 A Q H > S+ 0 0 81 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.966 113.2 49.0 -54.6 -58.2 67.5 32.7 13.7 55 60 A I H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 111.9 47.3 -48.3 -56.4 65.7 29.9 15.4 56 61 A F H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.946 109.0 56.0 -52.9 -50.8 68.8 28.4 16.9 57 62 A Q H X S+ 0 0 74 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.912 109.6 45.9 -46.9 -49.5 69.8 31.9 18.1 58 63 A E H X S+ 0 0 90 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.877 111.1 51.1 -65.4 -40.2 66.5 32.2 19.9 59 64 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.964 110.1 50.3 -58.3 -53.9 66.7 28.7 21.5 60 65 A F H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.932 110.8 50.6 -44.9 -54.7 70.1 29.5 22.7 61 66 A N H X S+ 0 0 57 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.965 106.8 53.5 -49.2 -63.0 68.7 32.8 24.1 62 67 A Y H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.898 111.4 45.9 -33.0 -63.7 65.8 30.9 25.9 63 68 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.929 110.6 54.2 -48.6 -51.3 68.3 28.6 27.6 64 69 A D H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.899 110.9 44.5 -54.9 -45.6 70.5 31.6 28.5 65 70 A K H X S+ 0 0 42 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.852 113.1 51.3 -70.6 -35.4 67.7 33.5 30.3 66 71 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.950 113.4 43.4 -65.5 -49.2 66.5 30.3 32.1 67 72 A F H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.867 113.8 53.9 -62.4 -36.3 69.9 29.5 33.4 68 73 A Y H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.1 41.6 -65.0 -40.9 70.3 33.2 34.3 69 74 A L H < S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.797 121.5 37.8 -79.1 -31.1 67.1 33.3 36.3 70 75 A I H < S- 0 0 7 -4,-2.2 -41,-0.4 -5,-0.2 -2,-0.2 0.711 81.7-160.4 -98.3 -21.0 67.3 30.0 38.1 71 76 A K < - 0 0 84 -4,-1.9 -42,-0.5 -5,-0.3 2,-0.4 0.878 9.9-149.3 42.0 64.1 71.1 30.0 38.9 72 77 A P - 0 0 6 0, 0.0 -42,-0.2 0, 0.0 -1,-0.2 -0.485 2.7-152.7 -64.0 117.4 71.5 26.2 39.5 73 78 A Q S S+ 0 0 89 -44,-3.3 -43,-0.2 -2,-0.4 -42,-0.1 0.820 79.3 9.1 -62.5 -37.5 74.4 26.1 42.1 74 79 A R S S+ 0 0 112 -44,-1.7 79,-1.9 1,-0.3 2,-0.4 0.832 120.8 23.7-113.6 -53.6 75.7 22.6 41.2 75 80 A L E -bd 31 153A 7 -45,-3.6 -43,-2.4 77,-0.2 2,-0.4 -0.948 42.4-169.0-128.5 143.5 74.3 20.9 38.1 76 81 A F E -bd 32 154A 0 77,-2.2 79,-2.8 -2,-0.4 2,-0.8 -0.892 14.1-179.0-127.8 100.2 72.7 21.9 34.8 77 82 A F E -bd 33 155A 1 -45,-2.5 -43,-2.1 -2,-0.4 2,-0.5 -0.858 1.5-176.2-101.7 102.3 71.2 19.0 33.0 78 83 A L E -bd 34 156A 0 77,-2.1 79,-2.1 -2,-0.8 2,-0.5 -0.888 8.2-168.7 -99.8 131.8 69.6 19.9 29.7 79 84 A S E -bd 35 157A 0 -45,-2.9 -43,-1.2 -2,-0.5 -42,-0.3 -0.928 11.2-162.5-131.0 108.6 67.9 17.0 27.9 80 85 A V - 0 0 1 77,-2.5 81,-0.1 -2,-0.5 -45,-0.0 -0.696 39.4 -97.8 -86.5 137.5 66.5 16.9 24.3 81 86 A D - 0 0 16 -2,-0.3 83,-0.2 83,-0.1 2,-0.1 -0.283 47.9-175.3 -52.9 127.7 64.1 14.1 23.4 82 87 A G - 0 0 0 81,-2.0 2,-0.3 1,-0.1 78,-0.1 -0.391 46.5 -42.8-110.1-168.4 65.9 11.2 21.7 83 88 A V S S- 0 0 2 76,-0.7 80,-1.9 77,-0.2 -1,-0.1 -0.447 70.9-157.0 -62.4 122.5 64.7 8.0 20.1 84 89 A A - 0 0 0 -2,-0.3 346,-0.3 78,-0.2 5,-0.1 -0.607 21.0 -79.9-107.8 163.9 62.0 6.7 22.5 85 90 A P >> - 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.058 44.8-108.3 -55.4 156.4 60.5 3.2 23.2 86 91 A R H 3> S+ 0 0 13 313,-2.6 4,-2.3 1,-0.2 5,-0.2 0.876 115.2 68.2 -56.6 -41.4 57.8 1.9 20.9 87 92 A A H 3> S+ 0 0 4 314,-0.8 4,-0.6 311,-0.3 -1,-0.2 0.894 112.1 32.1 -44.1 -48.2 55.1 2.4 23.6 88 93 A K H X> S+ 0 0 11 -3,-0.8 4,-2.5 1,-0.2 3,-1.2 0.930 109.8 67.2 -75.2 -48.0 55.6 6.2 23.1 89 94 A M H 3X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.3 -2,-0.2 0.773 93.5 59.7 -44.2 -39.3 56.5 6.0 19.4 90 95 A N H 3X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -1,-0.3 0.948 112.5 38.7 -55.5 -48.4 52.9 4.9 18.6 91 96 A Q H < S+ 0 0 61 -4,-2.8 3,-0.9 1,-0.2 4,-0.4 0.955 110.9 45.7 -60.0 -51.1 43.8 22.1 6.6 106 111 A Q H >< S+ 0 0 154 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.796 109.5 54.9 -64.0 -29.2 45.1 25.4 8.0 107 112 A E H >X S+ 0 0 85 -4,-2.2 3,-1.7 1,-0.2 4,-0.5 0.710 92.9 74.9 -71.7 -20.4 47.0 25.9 4.7 108 113 A A H XX S+ 0 0 41 -4,-1.0 4,-1.9 -3,-0.9 3,-0.8 0.749 80.7 68.1 -62.9 -24.1 43.6 25.4 3.1 109 114 A K H <> S+ 0 0 99 -3,-0.8 4,-1.1 -4,-0.4 -1,-0.3 0.737 93.0 59.7 -66.4 -21.5 42.7 28.9 4.3 110 115 A A H <4 S+ 0 0 59 -3,-1.7 -1,-0.3 3,-0.3 -2,-0.2 0.746 103.3 50.5 -73.4 -26.9 45.3 30.0 1.7 111 116 A A H << S+ 0 0 89 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.831 105.5 54.9 -75.5 -37.8 43.1 28.3 -0.9 112 117 A Q H < 0 0 132 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.865 360.0 360.0 -58.7 -34.6 40.2 30.3 0.5 113 118 A R < 0 0 156 -4,-1.1 -3,-0.3 -5,-0.2 -2,-0.3 0.399 360.0 360.0-151.9 360.0 42.4 33.3 -0.2 114 ! 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 0.0 115 126 A R 0 0 226 0, 0.0 2,-0.2 0, 0.0 -66,-0.1 0.000 360.0 360.0 360.0 128.4 56.9 27.0 5.3 116 127 A F - 0 0 75 -72,-0.1 2,-0.3 -66,-0.1 4,-0.0 -0.124 360.0-147.2 -56.5 105.3 58.5 25.3 8.3 117 128 A D - 0 0 64 -2,-0.2 3,-0.4 1,-0.2 -1,-0.1 -0.536 8.3-164.1 -64.8 127.8 57.5 21.6 8.7 118 129 A S S > S+ 0 0 21 -2,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.717 74.3 84.5 -91.3 -21.1 57.4 21.0 12.5 119 130 A N G > S+ 0 0 8 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.415 73.1 81.2 -62.1 6.8 57.5 17.2 12.3 120 131 A C G 3 + 0 0 5 -3,-0.4 8,-0.6 1,-0.2 -1,-0.3 0.266 63.0 91.0 -92.7 7.8 61.3 17.7 12.0 121 132 A I G < + 0 0 6 -3,-1.7 -1,-0.2 6,-0.1 -2,-0.1 0.451 68.9 96.2 -83.0 1.1 61.4 18.1 15.8 122 133 A T S X S- 0 0 1 -3,-0.5 3,-1.0 1,-0.1 6,-0.4 -0.575 88.4 -92.7 -86.4 153.8 61.9 14.3 15.9 123 134 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.212 104.8 39.8 -62.7 155.5 65.5 12.8 16.2 124 135 A G T 3 S+ 0 0 0 1,-0.3 2,-0.2 390,-0.1 309,-0.1 0.133 83.0 122.9 93.3 -19.4 67.4 11.7 13.0 125 136 A T S <> S- 0 0 1 -3,-1.0 4,-1.7 -5,-0.1 -1,-0.3 -0.527 72.9-122.9 -77.3 142.9 66.2 14.8 11.1 126 137 A E H > S+ 0 0 30 321,-0.4 4,-2.6 1,-0.2 5,-0.2 0.848 112.3 59.7 -54.1 -35.7 69.0 17.0 9.6 127 138 A F H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.988 104.7 44.8 -49.8 -70.3 67.4 19.8 11.6 128 139 A M H > S+ 0 0 2 -8,-0.6 4,-2.4 -6,-0.4 31,-0.3 0.745 112.5 53.9 -52.6 -29.9 67.8 18.2 15.0 129 140 A V H X S+ 0 0 47 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.961 108.5 46.7 -70.9 -52.8 71.4 17.3 14.2 130 141 A R H X S+ 0 0 101 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.902 112.4 53.1 -52.4 -42.5 72.4 20.8 13.2 131 142 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.943 105.8 52.8 -58.3 -49.4 70.6 21.9 16.4 132 143 A Q H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.947 111.3 46.7 -49.9 -55.2 72.7 19.4 18.4 133 144 A E H X S+ 0 0 38 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.977 112.0 48.9 -49.7 -63.4 75.9 20.8 17.0 134 145 A G H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.776 110.4 54.6 -50.7 -28.6 74.9 24.4 17.6 135 146 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 -3,-0.3 -1,-0.2 0.949 107.1 45.8 -75.2 -50.2 73.9 23.5 21.1 136 147 A R H X S+ 0 0 72 -4,-2.5 4,-2.7 -3,-0.2 -2,-0.2 0.947 113.9 52.0 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A E H 4 S+ 0 0 26 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.907 108.6 51.3 -63.3 -40.1 73.1 10.1 6.0 512 570 A R H >< S+ 0 0 56 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.863 112.3 45.7 -65.3 -37.9 74.8 6.8 6.8 513 571 A E H >< S+ 0 0 75 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.905 106.5 56.6 -73.4 -41.7 76.9 8.4 9.5 514 572 A R T 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.477 91.0 81.3 -69.8 0.9 74.2 10.4 11.2 515 573 A N T < S+ 0 0 35 -3,-0.6 2,-0.3 -4,-0.3 -1,-0.3 -0.087 71.2 96.1-102.1 33.3 72.3 7.2 11.7 516 574 A R S < S- 0 0 59 -3,-0.6 2,-0.1 -85,-0.1 -3,-0.0 -0.871 76.2-111.5-118.1 153.9 74.0 6.0 14.8 517 575 A H - 0 0 59 -2,-0.3 -356,-0.2 -88,-0.1 -357,-0.1 -0.462 42.2-165.0 -74.8 159.0 73.1 6.3 18.4 518 576 A G - 0 0 6 -358,-1.1 36,-0.2 -359,-0.1 2,-0.0 -0.861 13.7-102.3-144.2 176.4 75.3 8.6 20.5 519 577 A P - 0 0 9 0, 0.0 -361,-0.4 0, 0.0 -358,-0.4 -0.150 29.5-110.0 -90.6-178.0 76.4 9.8 23.9 520 578 A M E - H 0 552A 10 32,-2.8 32,-2.5 -363,-0.1 2,-0.4 -0.670 33.5-124.3-106.7 166.8 75.7 12.8 26.2 521 579 A Y E -EH 156 551A 23 -365,-2.3 -365,-2.6 -2,-0.2 2,-0.6 -0.948 9.8-152.7-125.6 141.2 78.3 15.4 26.9 522 580 A V E -EH 155 550A 19 28,-2.0 28,-0.9 -2,-0.4 2,-0.4 -0.930 13.2-166.9-114.7 116.4 79.8 16.8 30.1 523 581 A Y E +EH 154 549A 0 -369,-2.9 -369,-2.6 -2,-0.6 2,-0.4 -0.856 10.0 172.7-105.2 134.6 81.1 20.4 30.1 524 582 A K E -EH 153 548A 101 24,-1.5 24,-2.1 -2,-0.4 -371,-0.1 -0.987 36.9-111.3-140.9 128.4 83.3 21.8 32.9 525 583 A Y E - H 0 547A 75 -373,-0.5 2,-0.4 -2,-0.4 22,-0.3 -0.331 34.5-157.1 -62.0 135.9 85.0 25.1 32.9 526 584 A S - 0 0 20 20,-4.4 4,-0.1 1,-0.1 -1,-0.1 -0.961 22.8-153.9-119.0 132.9 88.8 24.9 32.7 527 585 A T S S+ 0 0 110 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.865 83.4 81.1 -63.5 -38.2 91.3 27.4 33.7 528 586 A V S S- 0 0 90 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 -0.569 95.5-109.7 -73.8 130.8 93.7 25.8 31.2 529 587 A A - 0 0 55 -2,-0.3 17,-0.2 1,-0.1 -1,-0.1 -0.389 26.2-165.2 -64.9 129.5 93.1 27.0 27.6 530 588 A Q - 0 0 94 15,-2.6 16,-0.1 1,-0.3 -1,-0.1 0.269 41.1-108.2-105.3 10.4 91.6 24.2 25.5 531 589 A G - 0 0 23 14,-0.4 14,-3.7 2,-0.0 -1,-0.3 -0.356 51.3 -30.4 96.6-174.9 92.2 25.6 22.0 532 590 A P - 0 0 108 0, 0.0 12,-0.1 0, 0.0 9,-0.0 -0.307 42.8-152.9 -82.8 159.7 90.1 27.2 19.3 533 591 A M B -J 542 0C 17 9,-3.0 9,-1.7 -2,-0.1 11,-0.0 -0.999 17.8-125.2-132.3 135.1 86.5 26.6 18.2 534 592 A P - 0 0 108 0, 0.0 8,-0.1 0, 0.0 2,-0.1 -0.322 33.8-104.3 -70.6 160.1 85.1 27.1 14.7 535 593 A A - 0 0 56 6,-0.2 5,-0.2 3,-0.0 6,-0.1 -0.405 32.6-167.2 -79.4 163.1 82.0 29.3 14.2 536 594 A Y B > -K 539 0D 62 3,-2.4 3,-1.9 -2,-0.1 0, 0.0 -0.954 42.8 -59.8-151.0 132.3 78.6 27.8 13.7 537 595 A P T 3 S+ 0 0 75 0, 0.0 -403,-0.1 0, 0.0 -481,-0.1 -0.374 125.1 0.0 -54.7 121.0 75.5 29.7 12.5 538 596 A P T 3 S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 -485,-0.0 -0.970 113.7 88.6-105.6 11.0 74.8 31.8 14.4 539 597 A L B < S-K 536 0D 26 -3,-1.9 -3,-2.4 1,-0.1 3,-0.1 -0.496 71.9-130.8 -67.5 124.4 77.5 31.4 17.0 540 598 A R - 0 0 82 -2,-0.3 -1,-0.1 -5,-0.2 2,-0.0 -0.387 36.7 -91.6 -68.5 157.6 80.6 33.5 16.2 541 599 A A - 0 0 52 -6,-0.1 -6,-0.2 -2,-0.1 -1,-0.1 -0.251 34.0-132.7 -74.3 158.7 83.8 31.6 16.4 542 600 A L B -J 533 0C 35 -9,-1.7 -9,-3.0 1,-0.1 3,-0.2 -0.954 7.8-157.2-120.5 126.4 86.0 31.4 19.5 543 601 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.847 86.0 15.9 -64.1 -35.9 89.8 31.9 19.6 544 602 A V - 0 0 60 -12,-0.1 2,-0.2 -14,-0.1 -15,-0.0 -0.960 67.5-145.5-148.6 124.2 90.1 29.9 22.8 545 603 A L - 0 0 12 -14,-3.7 -15,-2.6 -2,-0.3 -14,-0.4 -0.594 7.4-171.7 -79.8 146.5 87.8 27.5 24.7 546 604 A Y + 0 0 93 -406,-0.4 -20,-4.4 -2,-0.2 2,-0.3 0.021 63.4 68.1-125.6 25.3 87.9 27.5 28.5 547 605 A C E S-H 525 0A 2 -22,-0.3 2,-0.4 -20,-0.1 -22,-0.2 -0.941 70.2-128.6-138.9 163.6 85.8 24.4 29.0 548 606 A T E -H 524 0A 35 -24,-2.1 -24,-1.5 -2,-0.3 2,-0.4 -0.936 9.7-156.9-118.3 138.5 85.9 20.7 28.5 549 607 A E E -H 523 0A 43 -2,-0.4 2,-0.4 -26,-0.2 -26,-0.2 -0.935 16.0-178.2-110.9 132.0 83.4 18.5 26.8 550 608 A V E -H 522 0A 68 -28,-0.9 -28,-2.0 -2,-0.4 2,-0.2 -0.974 24.1-124.4-140.0 123.8 83.4 14.8 27.7 551 609 A A E -H 521 0A 49 -2,-0.4 2,-0.4 -30,-0.2 -30,-0.2 -0.432 24.7-178.0 -71.6 131.6 81.3 11.9 26.3 552 610 A K E -H 520 0A 41 -32,-2.5 -32,-2.8 -2,-0.2 2,-0.1 -0.999 18.2-141.8-125.3 127.3 79.3 9.9 28.7 553 611 A W > - 0 0 121 -2,-0.4 3,-2.0 -34,-0.2 4,-0.0 -0.419 27.2-102.9 -89.9 165.2 77.3 7.0 27.3 554 612 A S G > S+ 0 0 79 1,-0.3 3,-0.7 -36,-0.2 -1,-0.1 0.755 118.5 57.5 -54.9 -25.6 73.8 5.8 28.4 555 613 A H G 3 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.469 88.5 68.9 -93.8 -1.5 75.4 2.9 30.2 556 614 A E G < S+ 0 0 85 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.146 105.9 45.6 -93.9 19.0 77.7 4.9 32.6 557 615 A I S < S+ 0 0 13 -3,-0.7 -2,-0.2 -4,-0.0 -1,-0.2 0.290 86.5 125.0-137.7 -6.3 74.4 6.0 34.3 558 616 A A - 0 0 54 -3,-0.1 2,-0.5 -4,-0.1 -3,-0.1 -0.350 43.1-160.9 -64.8 133.9 72.8 2.5 34.4 559 617 A V - 0 0 37 -165,-0.2 2,-0.7 -2,-0.1 6,-0.1 -0.959 4.4-169.5-119.9 114.9 71.6 1.2 37.7 560 618 A N + 0 0 143 -2,-0.5 3,-0.1 2,-0.0 -166,-0.0 -0.867 30.2 128.0-107.2 103.7 71.1 -2.5 38.0 561 619 A L - 0 0 78 -2,-0.7 4,-0.1 2,-0.2 -2,-0.1 -0.978 61.9-121.4-149.7 161.5 69.3 -3.6 41.1 562 620 A P S S+ 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.820 99.0 47.3 -68.1 -38.4 66.3 -5.7 42.4 563 621 A Y S S- 0 0 116 -3,-0.1 2,-0.5 -249,-0.0 -2,-0.2 -0.517 94.6-100.6-101.3 171.5 64.8 -2.8 44.2 564 622 A S - 0 0 1 -251,-0.3 -170,-0.1 -2,-0.2 -171,-0.0 -0.821 12.7-146.3 -93.7 130.7 64.1 0.8 43.0 565 623 A V S S+ 0 0 13 -2,-0.5 2,-1.7 -172,-0.4 -1,-0.1 0.521 83.7 98.4 -68.7 -4.3 66.6 3.5 44.1 566 624 A C + 0 0 5 -173,-0.4 -1,-0.2 -253,-0.1 2,-0.1 -0.202 62.0 128.2 -74.4 45.9 63.4 5.7 44.1 567 625 A I S S- 0 0 61 -2,-1.7 2,-1.0 -363,-0.1 -2,-0.1 -0.335 74.2 -89.3 -94.0-179.9 63.4 5.0 47.8 568 626 A E - 0 0 41 -2,-0.1 -362,-0.1 -362,-0.0 -363,-0.1 -0.794 41.7-136.3 -96.4 96.5 63.2 7.5 50.7 569 627 A L > - 0 0 20 -2,-1.0 3,-0.6 -364,-0.4 -362,-0.1 -0.331 12.2-161.3 -54.2 122.3 66.8 8.4 51.6 570 628 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.696 82.0 73.4 -82.5 -21.2 67.0 8.4 55.4 571 629 A N T 3 S+ 0 0 126 2,-0.1 -386,-0.1 0, 0.0 -2,-0.1 0.734 79.3 99.9 -60.9 -24.2 70.2 10.5 55.5 572 630 A A S < S- 0 0 11 -3,-0.6 2,-0.7 -388,-0.1 -387,-0.1 -0.274 74.5-129.4 -66.5 149.3 68.0 13.5 54.6 573 631 A A + 0 0 19 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.895 35.7 160.9-106.4 111.7 66.9 15.9 57.3 574 632 A R S S+ 0 0 76 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 0.296 70.8 69.4-109.1 4.8 63.2 16.6 57.3 575 633 A T S S+ 0 0 109 2,-0.1 162,-0.2 11,-0.0 2,-0.1 0.789 93.2 68.9 -81.3 -37.3 63.2 18.0 60.9 576 634 A V S S- 0 0 31 160,-0.1 2,-0.4 1,-0.1 162,-0.2 -0.424 85.1-117.5 -84.0 156.4 65.2 21.1 59.8 577 635 A F B -l 738 0E 6 160,-2.3 162,-2.4 -2,-0.1 3,-0.1 -0.814 15.6-156.3 -98.7 135.6 63.9 23.9 57.6 578 636 A F B > -M 581 0F 11 3,-0.5 3,-2.0 -2,-0.4 162,-0.1 -0.947 22.3-129.5-107.3 123.9 65.4 24.8 54.3 579 637 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 161,-0.1 0.798 103.3 46.4 -39.4 -47.8 64.8 28.5 53.2 580 638 A G T 3 S+ 0 0 22 1,-0.1 -551,-0.0 -552,-0.1 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0.0 2,-0.2 -0.320 40.7 -88.6 -67.9 157.1 90.7 45.0 46.3 754 813 A V T 3 S+ 0 0 103 1,-0.2 19,-0.2 19,-0.1 3,-0.1 -0.488 111.1 20.5 -74.3 134.4 92.6 47.5 44.2 755 814 A G T 3 S+ 0 0 54 17,-2.4 -1,-0.2 1,-0.4 2,-0.1 0.295 90.0 130.4 92.3 -9.8 91.2 48.3 40.7 756 815 A S < - 0 0 22 -3,-1.2 16,-2.7 1,-0.1 -1,-0.4 -0.460 65.2-102.1 -72.5 151.8 87.7 47.0 41.7 757 816 A T E -W 771 0J 56 14,-0.2 2,-0.4 -2,-0.1 14,-0.3 -0.490 36.9-169.6 -78.0 144.7 84.9 49.4 40.8 758 817 A I E -W 770 0J 4 12,-1.9 12,-0.6 -2,-0.2 2,-0.4 -0.982 10.3-147.6-132.0 142.8 83.3 51.5 43.5 759 818 A F E -WX 769 949J 1 190,-1.7 190,-2.2 -2,-0.4 2,-0.3 -0.916 19.7-124.8-112.3 144.3 80.1 53.6 43.3 760 819 A L E + X 0 948J 5 8,-1.4 7,-2.1 -2,-0.4 8,-0.2 -0.663 30.1 169.5 -90.4 135.9 79.6 56.8 45.3 761 820 A I + 0 0 20 186,-1.7 2,-0.2 -2,-0.3 5,-0.2 0.312 51.4 106.9-118.5 1.0 76.7 57.4 47.7 762 821 A T S > S- 0 0 28 185,-0.4 3,-1.5 3,-0.1 -2,-0.0 -0.605 82.7-111.4 -83.3 146.0 78.2 60.6 49.1 763 822 A D G > S+ 0 0 126 1,-0.3 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0 188 -4,-1.0 2,-2.1 -5,-0.3 -1,-0.3 0.814 81.4 90.4 -65.8 -30.6 48.3 68.3 28.5 804 868 A D << + 0 0 40 -3,-1.7 60,-0.4 -4,-0.7 2,-0.3 -0.426 64.6 114.4 -71.4 79.6 46.8 66.8 25.3 805 869 A Y - 0 0 56 -2,-2.1 2,-0.3 58,-0.2 58,-0.2 -0.986 43.3-163.0-153.4 137.2 44.1 64.7 26.9 806 870 A L E -A 862 0K 40 56,-2.4 56,-1.2 -2,-0.3 2,-0.1 -0.749 25.2-111.2-114.1 165.9 40.3 64.6 27.0 807 871 A S E > -A 861 0K 16 -2,-0.3 4,-3.0 54,-0.2 5,-0.2 -0.463 32.1-105.8 -90.6 166.5 37.8 62.8 29.3 808 872 A T H > S+ 0 0 34 52,-1.2 4,-1.6 2,-0.2 53,-0.1 0.904 123.6 44.2 -57.2 -44.5 35.6 59.9 28.3 809 873 A F H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.965 111.6 50.7 -64.1 -56.6 32.6 62.3 28.3 810 874 A Q H > S+ 0 0 97 1,-0.3 4,-2.4 2,-0.2 3,-0.2 0.925 113.2 47.6 -45.6 -50.2 34.4 65.1 26.4 811 875 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -1,-0.3 0.830 107.0 57.0 -64.4 -33.5 35.4 62.5 23.8 812 876 A C H <>S+ 0 0 13 -4,-1.6 5,-2.2 -3,-0.3 4,-0.4 0.890 110.0 45.4 -62.6 -39.7 31.8 61.2 23.7 813 877 A N H ><5S+ 0 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0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 834 910 A H 0 0 98 0, 0.0 -3,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.8 38.2 37.7 15.0 835 911 A N B +C 830 0L 20 -5,-0.2 -5,-0.2 60,-0.0 66,-0.1 -0.885 360.0 168.3-116.8 137.8 38.7 41.1 16.6 836 912 A I + 0 0 15 -7,-2.6 2,-0.4 -2,-0.4 -9,-0.1 -0.364 39.1 111.6-141.8 60.5 37.4 44.6 15.8 837 913 A G S S- 0 0 0 -11,-0.1 -11,-0.2 61,-0.1 -12,-0.1 -0.992 70.8-123.3-130.6 140.2 38.2 47.1 18.6 838 914 A L - 0 0 0 -13,-2.0 -12,-0.2 -2,-0.4 -10,-0.1 0.701 42.8-142.8 -56.0 -17.2 40.6 49.9 18.3 839 915 A Q + 0 0 34 -12,-1.8 -12,-0.2 -14,-0.3 -11,-0.1 0.913 55.6 133.1 55.7 56.6 42.3 48.3 21.3 840 916 A L + 0 0 0 -14,-2.3 9,-3.1 1,-0.2 13,-0.3 0.743 67.3 35.6-101.0 -32.7 43.4 51.3 23.2 841 917 A K E -D 848 0M 22 -15,-1.8 7,-0.2 7,-0.2 -1,-0.2 -0.922 52.7-169.4-125.0 149.0 42.2 50.3 26.7 842 918 A Y E >> +D 847 0M 7 5,-2.5 4,-2.7 -2,-0.3 5,-1.8 -0.602 14.0 173.4-133.6 72.5 42.1 46.9 28.4 843 919 A P T 45S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 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