==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ELECTRON TRANSPORT/DNA 05-MAR-04 1SL2 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,S.DUTTA,S.DOUBLIE,H.M.BDOUR,J.S.TAYLOR,T.ELLENBERGER . 772 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 42 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 3 0 2 3 2 0 1 1 1 3 2 0 1 0 0 1 0 1 1 2 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 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 PARALLEL BRIDGES PER LADDER . 6 3 2 1 2 4 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 . 6 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 19 0, 0.0 25,-2.2 0, 0.0 26,-0.4 0.000 360.0 360.0 360.0 135.7 78.7 6.0 8.0 2 2 A I E -Ab 25 56A 5 53,-2.3 55,-2.9 23,-0.2 2,-0.4 -0.919 360.0-146.9-127.5 154.6 80.7 9.2 8.2 3 3 A V E +Ab 24 57A 0 21,-2.5 21,-3.2 -2,-0.3 2,-0.3 -0.975 29.7 168.0-120.0 134.2 79.8 12.6 9.6 4 4 A S E +A 23 0A 0 53,-3.2 55,-0.4 -2,-0.4 2,-0.3 -0.936 20.4 178.7-146.2 167.8 81.3 15.6 7.8 5 5 A D E -A 22 0A 17 17,-1.2 17,-2.1 -2,-0.3 2,-0.3 -0.953 14.1-150.9-163.6 151.0 81.3 19.4 7.5 6 6 A I E -A 21 0A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.906 7.5-144.3-130.2 159.8 83.3 21.9 5.4 7 7 A E E +A 20 0A 19 13,-2.8 12,-2.3 -2,-0.3 13,-1.7 -0.985 28.2 172.8-121.8 131.8 84.4 25.5 5.8 8 8 A A E -A 18 0A 5 -2,-0.4 10,-0.2 10,-0.2 148,-0.1 -0.885 42.1-105.3-135.9 169.6 84.5 27.6 2.6 9 9 A N S S- 0 0 30 8,-2.1 2,-0.3 -2,-0.3 145,-0.1 0.627 88.6 -2.2 -73.7 -17.2 85.0 31.3 1.7 10 10 A A S S- 0 0 31 7,-0.2 5,-0.1 145,-0.0 -2,-0.1 -0.936 84.9 -63.4-159.4-178.8 81.4 32.3 0.8 11 11 A L >> - 0 0 111 -2,-0.3 3,-1.4 1,-0.1 4,-1.1 -0.312 63.6 -94.5 -68.7 160.0 77.8 31.4 0.3 12 12 A L G >4 S+ 0 0 36 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.852 121.5 61.7 -44.4 -47.8 77.0 28.8 -2.4 13 13 A E G 34 S+ 0 0 106 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.831 123.4 16.4 -52.4 -38.0 76.2 31.5 -5.0 14 14 A S G <4 S+ 0 0 79 -3,-1.4 -1,-0.2 0, 0.0 -2,-0.2 0.241 85.1 138.0-125.4 18.5 79.8 32.9 -4.9 15 15 A V << + 0 0 0 -4,-1.1 3,-0.1 -3,-0.7 -4,-0.0 -0.418 11.1 158.2 -66.9 135.6 81.9 30.2 -3.2 16 16 A T + 0 0 72 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.456 54.3 54.1-133.7 -12.1 85.3 29.8 -4.9 17 17 A K - 0 0 88 58,-0.0 -8,-2.1 59,-0.0 2,-0.6 -0.982 59.6-146.9-138.7 133.4 87.5 28.3 -2.2 18 18 A F E -A 8 0A 0 -2,-0.4 -10,-0.2 -10,-0.2 21,-0.1 -0.798 19.1-179.0 -87.1 121.2 87.4 25.2 0.0 19 19 A H E - 0 0 1 -12,-2.3 2,-0.3 -2,-0.6 -11,-0.2 0.907 56.4 -34.8 -88.9 -50.7 89.2 26.2 3.3 20 20 A C E -A 7 0A 0 -13,-1.7 -13,-2.8 15,-0.2 -1,-0.4 -0.981 49.2-155.9-164.3 169.8 89.0 23.0 5.3 21 21 A G E -AC 6 34A 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.4 -0.987 5.8-150.4-154.1 155.8 86.9 19.9 6.1 22 22 A V E -AC 5 33A 0 -17,-2.1 -17,-1.2 -2,-0.3 2,-0.4 -0.995 7.7-165.7-134.4 138.2 86.5 17.3 8.8 23 23 A I E -AC 4 32A 11 9,-2.3 9,-2.5 -2,-0.4 2,-0.5 -0.987 5.5-165.2-128.1 128.4 85.4 13.7 8.7 24 24 A Y E -AC 3 31A 20 -21,-3.2 -21,-2.5 -2,-0.4 2,-0.6 -0.960 12.8-159.1-108.2 125.6 84.3 11.5 11.5 25 25 A D E >>> -AC 2 30A 28 5,-1.7 4,-3.2 -2,-0.5 3,-1.5 -0.919 11.1-157.6-111.0 114.2 84.3 7.8 10.5 26 26 A Y T 345S+ 0 0 39 -25,-2.2 -1,-0.1 -2,-0.6 -24,-0.1 0.818 93.1 58.8 -55.8 -34.1 82.1 5.5 12.7 27 27 A S T 345S+ 0 0 99 -26,-0.4 -1,-0.3 1,-0.2 -25,-0.1 0.673 122.2 23.6 -72.8 -16.6 84.2 2.4 11.6 28 28 A T T <45S- 0 0 70 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.541 93.1-140.6-118.0 -21.1 87.4 3.9 13.0 29 29 A A T <5 + 0 0 61 -4,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.765 60.2 124.8 62.9 28.2 85.9 6.3 15.5 30 30 A E E < -C 25 0A 126 -5,-0.7 -5,-1.7 2,-0.0 2,-0.4 -0.875 58.5-131.1-120.9 152.3 88.5 8.9 14.6 31 31 A Y E -C 24 0A 98 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.840 20.6-164.5-100.0 134.6 88.3 12.5 13.4 32 32 A V E -C 23 0A 64 -9,-2.5 -9,-2.3 -2,-0.4 2,-0.4 -0.977 5.8-150.6-123.2 129.2 90.4 13.5 10.4 33 33 A S E -C 22 0A 40 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.784 5.5-162.2 -99.8 141.0 91.1 17.1 9.5 34 34 A Y E -C 21 0A 31 -13,-2.9 -13,-2.4 -2,-0.4 5,-0.0 -0.990 6.9-161.4-124.7 124.1 91.6 18.3 5.9 35 35 A R > - 0 0 92 -2,-0.5 3,-3.1 -15,-0.2 4,-0.3 -0.452 43.4 -80.4 -96.4 171.7 93.3 21.6 5.2 36 36 A P G > S+ 0 0 46 0, 0.0 3,-1.4 0, 0.0 -18,-0.1 0.827 130.6 48.5 -41.9 -46.4 93.2 23.6 2.0 37 37 A S G 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.548 103.9 64.9 -75.7 -2.3 95.9 21.6 0.2 38 38 A D G <> + 0 0 56 -3,-3.1 4,-2.6 1,-0.2 3,-0.3 0.323 66.0 110.7 -98.3 6.0 94.0 18.4 1.3 39 39 A F H <> S+ 0 0 5 -3,-1.4 4,-2.3 -4,-0.3 5,-0.2 0.893 76.3 51.6 -47.5 -49.2 90.9 19.2 -0.8 40 40 A G H > S+ 0 0 20 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.917 112.2 46.1 -55.8 -45.2 91.6 16.3 -3.2 41 41 A A H > S+ 0 0 47 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.851 107.6 57.8 -67.2 -35.5 92.0 13.9 -0.4 42 42 A Y H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.964 110.3 43.4 -59.1 -50.4 88.8 15.2 1.3 43 43 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.893 109.8 56.5 -60.6 -43.7 86.8 14.4 -1.8 44 44 A D H X S+ 0 0 84 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.918 106.4 51.0 -55.6 -45.2 88.5 11.0 -2.2 45 45 A A H X S+ 0 0 31 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.873 109.6 49.5 -60.6 -40.0 87.4 10.1 1.3 46 46 A L H X S+ 0 0 1 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.929 112.1 47.3 -66.8 -44.3 83.8 11.0 0.6 47 47 A E H X S+ 0 0 75 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.760 106.3 59.6 -68.9 -22.0 83.7 9.0 -2.6 48 48 A A H X S+ 0 0 36 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.904 104.1 49.3 -71.1 -40.4 85.2 6.1 -0.8 49 49 A E H <>S+ 0 0 8 -4,-1.6 5,-2.6 1,-0.2 -2,-0.2 0.881 110.7 51.4 -64.3 -36.7 82.3 6.0 1.6 50 50 A V H ><5S+ 0 0 35 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.859 104.9 56.3 -67.1 -36.0 80.0 6.1 -1.5 51 51 A A H 3<5S+ 0 0 87 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 103.5 54.8 -66.4 -29.1 81.9 3.2 -3.0 52 52 A R T 3<5S- 0 0 153 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.440 119.7-109.8 -83.4 0.7 81.2 1.1 0.1 53 53 A G T < 5S+ 0 0 22 -3,-1.4 144,-2.1 -4,-0.1 145,-0.3 0.808 75.5 147.6 72.8 27.4 77.5 1.8 -0.3 54 54 A G < - 0 0 6 -5,-2.6 2,-0.3 142,-0.2 143,-0.2 0.066 45.5-107.4 -84.8-165.4 77.9 3.9 2.8 55 55 A L - 0 0 0 140,-0.1 -53,-2.3 138,-0.1 2,-0.5 -0.971 13.3-153.9-132.3 146.1 76.3 7.1 4.2 56 56 A I E -bd 2 88A 0 31,-3.1 33,-3.2 -2,-0.3 2,-0.5 -0.974 11.6-157.8-122.1 119.3 77.5 10.7 4.5 57 57 A V E +bd 3 89A 0 -55,-2.9 -53,-3.2 -2,-0.5 2,-0.3 -0.862 18.9 163.5-103.9 124.4 76.0 12.9 7.2 58 58 A F E - d 0 90A 1 31,-2.3 33,-2.0 -2,-0.5 2,-0.7 -0.878 39.7-122.2-126.9 158.7 76.1 16.7 7.0 59 59 A H S S- 0 0 7 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.942 102.7 -10.7-103.6 113.8 74.1 19.3 8.9 60 60 A N S >>S+ 0 0 26 -2,-0.7 4,-1.6 4,-0.1 5,-0.5 0.804 94.4 141.5 66.9 30.3 72.3 21.3 6.1 61 61 A G T 4> + 0 0 0 -3,-0.2 5,-2.4 3,-0.2 7,-0.2 0.791 57.5 67.4 -73.6 -26.6 74.5 19.5 3.5 62 62 A H T 45S+ 0 0 2 1,-0.2 -1,-0.2 4,-0.1 28,-0.0 0.886 112.2 30.6 -62.0 -39.4 71.7 19.2 1.0 63 63 A K T 45S+ 0 0 36 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.797 139.8 7.5 -91.3 -26.5 71.5 23.0 0.5 64 64 A Y T X5S+ 0 0 43 -4,-1.6 4,-3.5 3,-0.1 5,-0.3 0.746 119.7 42.6-117.6 -77.7 75.2 23.8 1.1 65 65 A D H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.938 116.3 54.7 -61.4 -44.5 76.3 21.5 -3.9 68 68 A A H X S+ 0 0 0 -4,-3.5 4,-3.3 1,-0.2 5,-0.2 0.908 106.4 50.6 -55.4 -44.4 79.3 23.6 -2.7 69 69 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.871 108.2 51.3 -64.9 -37.2 81.6 20.6 -3.1 70 70 A T H X S+ 0 0 39 -4,-1.7 4,-1.7 2,-0.2 11,-0.3 0.965 115.2 44.6 -61.8 -48.7 80.4 19.9 -6.7 71 71 A K H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 115.2 45.7 -60.2 -50.1 81.1 23.5 -7.5 72 72 A L H X>S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 5,-0.5 0.842 107.8 57.4 -66.3 -32.6 84.4 23.8 -5.7 73 73 A A H X>S+ 0 0 0 -4,-2.4 6,-2.4 -5,-0.2 4,-1.6 0.915 110.4 44.4 -64.9 -40.9 85.7 20.5 -7.2 74 74 A K H X5S+ 0 0 103 -4,-1.7 4,-1.0 4,-0.3 -2,-0.2 0.962 119.5 40.9 -66.9 -51.1 85.2 21.8 -10.7 75 75 A L H <5S+ 0 0 106 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.924 126.4 30.6 -63.7 -49.2 86.7 25.3 -10.0 76 76 A Q H <5S+ 0 0 69 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.830 138.3 16.0 -83.5 -35.2 89.7 24.2 -7.9 77 77 A L H < - 0 0 39 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.391 15.0-127.9 -66.8 141.0 74.4 10.7 -4.9 85 85 A R G > S+ 0 0 42 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.881 107.6 59.5 -53.0 -41.2 71.2 11.8 -3.2 86 86 A E G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.636 101.2 53.9 -67.6 -13.9 70.8 8.3 -1.7 87 87 A N G < S+ 0 0 5 -3,-1.6 -31,-3.1 -32,-0.1 2,-0.4 0.461 93.8 90.4 -97.7 -1.0 74.1 8.4 0.1 88 88 A C E < -d 56 0A 0 -3,-1.4 2,-0.4 -4,-0.4 -31,-0.2 -0.827 48.8-173.8-108.8 133.7 73.4 11.7 2.0 89 89 A I E -d 57 0A 0 -33,-3.2 -31,-2.3 -2,-0.4 2,-0.4 -0.897 8.3-159.8-115.1 146.7 71.9 12.3 5.4 90 90 A D E > -d 58 0A 2 -2,-0.4 4,-2.3 -33,-0.2 -31,-0.2 -0.953 9.8-161.7-131.4 112.7 71.1 15.8 6.7 91 91 A T H > S+ 0 0 0 -33,-2.0 4,-2.3 -2,-0.4 -32,-0.2 0.715 94.5 54.9 -65.8 -19.9 70.6 16.4 10.4 92 92 A L H > S+ 0 0 10 -34,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.922 109.4 46.9 -76.4 -44.6 68.8 19.7 9.8 93 93 A V H > S+ 0 0 17 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.892 114.7 49.4 -59.3 -39.6 66.3 18.0 7.5 94 94 A L H >X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 3,-0.7 0.934 110.5 47.9 -66.8 -47.2 66.0 15.3 10.2 95 95 A S H 3X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.3 -2,-0.2 0.868 106.9 56.6 -61.5 -39.6 65.5 17.8 13.0 96 96 A R H 3< S+ 0 0 16 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.760 113.1 42.9 -66.1 -21.3 62.9 19.7 11.1 97 97 A L H X< S+ 0 0 2 -4,-0.8 3,-0.9 -3,-0.7 -2,-0.2 0.920 120.5 37.2 -86.4 -53.7 61.0 16.4 10.8 98 98 A I H 3< S+ 0 0 14 -4,-2.8 2,-0.3 1,-0.3 3,-0.2 0.938 127.5 35.9 -66.6 -48.3 61.3 15.0 14.3 99 99 A H T >< S+ 0 0 48 -4,-2.6 3,-2.6 -5,-0.2 -1,-0.3 -0.304 72.5 144.5-101.5 49.0 61.0 18.4 16.1 100 100 A S T < + 0 0 15 -3,-0.9 -1,-0.2 -2,-0.3 306,-0.1 0.622 66.7 65.9 -60.4 -13.8 58.5 19.8 13.6 101 101 A N T 3 S+ 0 0 77 -3,-0.2 2,-0.3 -4,-0.1 -1,-0.3 0.506 94.2 74.0 -86.1 -6.4 56.9 21.5 16.5 102 102 A L S < S- 0 0 56 -3,-2.6 2,-0.1 -6,-0.1 17,-0.1 -0.828 72.2-136.5-112.8 149.8 60.0 23.8 17.0 103 103 A K - 0 0 94 15,-0.6 17,-0.4 13,-0.4 2,-0.3 -0.436 20.3-163.8 -88.7 169.6 61.3 26.7 15.0 104 104 A D - 0 0 40 -2,-0.1 20,-0.1 15,-0.1 15,-0.0 -0.918 33.0-108.5-146.7 169.9 65.0 27.1 14.1 105 105 A T >> - 0 0 6 -2,-0.3 5,-2.4 18,-0.1 4,-0.6 0.440 48.4-118.7 -83.2 -0.4 67.1 30.0 12.9 106 106 A D T >45S- 0 0 18 1,-0.2 3,-1.1 3,-0.2 -14,-0.0 0.963 79.3 -46.4 59.1 50.9 67.5 28.6 9.4 107 107 A M T 345S- 0 0 56 1,-0.2 -1,-0.2 16,-0.1 17,-0.1 0.912 114.1 -45.1 57.0 51.6 71.2 28.4 10.0 108 108 A G T 345S+ 0 0 40 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.366 111.6 110.1 80.7 -5.9 71.7 31.9 11.4 109 109 A L T <<5S+ 0 0 109 -3,-1.1 2,-0.4 -4,-0.6 -3,-0.2 0.774 76.7 55.4 -71.8 -24.5 69.6 33.8 8.9 110 110 A L S > - 0 0 71 -2,-0.4 3,-1.1 1,-0.1 4,-0.7 -0.663 20.0-142.7 -77.8 125.3 67.6 36.1 14.9 112 112 A S G >4 S+ 0 0 39 -2,-0.5 3,-0.6 1,-0.2 -1,-0.1 0.801 96.0 64.5 -60.4 -31.4 66.8 33.5 17.7 113 113 A G G 34 S+ 0 0 77 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.838 100.6 52.5 -61.8 -31.1 65.4 36.2 20.0 114 114 A K G <4 S+ 0 0 170 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.715 89.9 94.9 -77.4 -23.1 62.6 36.8 17.5 115 115 A L S << S- 0 0 29 -4,-0.7 2,-0.2 -3,-0.6 -10,-0.0 -0.421 73.5-128.8 -72.7 142.5 61.6 33.1 17.2 116 116 A P + 0 0 84 0, 0.0 -13,-0.4 0, 0.0 -1,-0.1 -0.566 66.0 11.0 -88.6 158.3 58.7 31.8 19.4 117 117 A G S S- 0 0 77 -2,-0.2 2,-0.1 -15,-0.1 -15,-0.1 -0.084 99.4 -41.4 74.2-173.2 59.1 28.7 21.6 118 124 A A - 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0 0 8 -3,-0.4 8,-0.0 1,-0.1 -3,-0.0 -0.523 68.3 -90.0 -70.9 136.6 53.2 37.1 -4.7 419 441 A P - 0 0 12 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.166 46.8-115.6 -49.7 134.1 50.0 39.1 -5.4 420 442 A G > - 0 0 32 1,-0.1 3,-1.5 -3,-0.1 6,-0.2 -0.283 20.4-112.1 -70.8 157.9 47.3 37.0 -7.2 421 443 A V T 3 S+ 0 0 49 1,-0.3 6,-0.5 5,-0.2 5,-0.2 0.799 115.9 58.0 -60.6 -28.6 46.2 37.9 -10.8 422 444 A R T 3 S+ 0 0 109 4,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.617 95.0 78.7 -78.8 -12.0 42.8 38.9 -9.5 423 445 A S S X S- 0 0 38 -3,-1.5 3,-2.4 1,-0.1 4,-0.4 -0.587 102.9 -70.1 -94.6 159.8 44.2 41.5 -7.1 424 446 A P T 3 S- 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.235 118.6 -2.9 -51.1 122.4 45.3 45.1 -8.1 425 447 A Y T 3> S+ 0 0 57 -4,-0.1 4,-2.4 -3,-0.1 3,-0.4 0.455 96.1 124.6 72.6 2.5 48.5 45.0 -10.1 426 448 A G H <> + 0 0 0 -3,-2.4 4,-3.4 1,-0.2 5,-0.3 0.855 65.8 58.3 -60.8 -35.9 48.7 41.2 -9.7 427 449 A E H > S+ 0 0 130 -6,-0.5 4,-1.8 -4,-0.4 -1,-0.2 0.877 110.1 42.6 -63.3 -38.0 48.8 40.6 -13.4 428 450 A Q H > S+ 0 0 89 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.913 117.7 46.2 -73.8 -43.0 52.0 42.7 -13.7 429 451 A C H >X S+ 0 0 1 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.977 116.8 43.7 -59.8 -56.6 53.5 41.2 -10.6 430 452 A R H >< S+ 0 0 24 -4,-3.4 3,-1.0 1,-0.2 236,-0.7 0.857 110.6 55.4 -58.2 -40.5 52.6 37.6 -11.6 431 453 A A H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.750 96.5 66.1 -67.5 -24.1 53.8 38.1 -15.2 432 454 A A H << S+ 0 0 2 -4,-1.2 -203,-2.8 -3,-0.9 2,-0.9 0.735 91.8 68.2 -69.8 -24.2 57.2 39.3 -14.0 433 455 A F B << S+F 228 0C 0 -3,-1.0 233,-2.5 -4,-0.6 2,-0.3 -0.849 79.2 126.9 -98.2 102.5 57.9 35.7 -12.7 434 456 A G > - 0 0 0 -207,-1.7 3,-1.7 -2,-0.9 231,-0.2 -0.988 69.5-124.9-163.3 152.4 58.1 33.5 -15.8 435 457 A A G > S+ 0 0 0 -2,-0.3 3,-2.3 1,-0.3 12,-1.2 0.824 108.1 69.3 -59.1 -33.7 60.0 30.9 -17.8 436 458 A E G 3 S+ 0 0 66 228,-2.6 -1,-0.3 1,-0.3 229,-0.1 0.739 88.6 65.0 -58.6 -23.6 59.7 33.3 -20.8 437 459 A H G < S+ 0 0 46 -3,-1.7 2,-0.5 227,-0.3 -1,-0.3 0.432 88.6 79.6 -81.8 1.1 62.2 35.6 -18.9 438 460 A H S < S- 0 0 18 -3,-2.3 9,-1.6 -211,-0.2 2,-0.5 -0.953 71.2-152.0-110.3 123.9 64.9 32.9 -19.2 439 461 A L B -N 446 0K 109 -2,-0.5 6,-0.2 7,-0.2 5,-0.1 -0.835 31.4-103.5 -96.8 126.2 66.7 32.7 -22.6 440 462 A D > - 0 0 15 5,-2.8 4,-2.2 -2,-0.5 169,-0.1 -0.192 24.4-128.7 -50.3 133.1 68.1 29.3 -23.4 441 463 A G T 4 S+ 0 0 77 167,-0.4 -1,-0.2 1,-0.2 168,-0.1 0.664 103.6 30.2 -59.1 -19.7 71.8 29.1 -22.9 442 464 A I T 4 S+ 0 0 135 3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.834 132.1 25.8-104.6 -55.7 72.3 27.7 -26.4 443 465 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 1,-0.0 -3,-0.1 0.588 88.3-133.3 -88.1 -12.8 69.6 29.0 -28.7 444 466 A G < + 0 0 39 -4,-2.2 -3,-0.1 1,-0.2 -1,-0.0 0.516 60.3 137.9 72.2 2.1 68.8 32.2 -26.8 445 467 A K - 0 0 137 -6,-0.2 -5,-2.8 1,-0.1 -1,-0.2 -0.596 59.9-104.7 -83.9 142.2 65.1 31.3 -27.1 446 468 A P B -N 439 0K 60 0, 0.0 -7,-0.2 0, 0.0 -10,-0.2 -0.254 33.2-123.8 -63.6 149.1 62.7 31.9 -24.2 447 469 A W - 0 0 4 -9,-1.6 2,-0.3 -12,-1.2 180,-0.2 -0.348 21.8-123.5 -84.4 172.3 61.6 28.9 -22.2 448 470 A V E -O 626 0L 27 178,-3.3 178,-4.0 -13,-0.1 2,-0.4 -0.872 18.4-124.6-119.0 154.3 58.0 28.0 -21.6 449 471 A Q E -OP 625 663L 0 214,-3.3 214,-2.6 -2,-0.3 2,-0.5 -0.824 13.2-165.8-108.2 137.6 56.1 27.5 -18.3 450 472 A A E -OP 624 662L 0 174,-2.8 174,-3.0 -2,-0.4 2,-0.5 -0.974 11.0-170.2-117.9 115.5 54.0 24.5 -17.1 451 473 A G E -OP 623 661L 4 210,-3.1 210,-2.6 -2,-0.5 2,-0.4 -0.941 4.8-178.1-110.9 124.5 51.9 25.2 -14.1 452 474 A I E -OP 622 660L 2 170,-2.4 170,-2.4 -2,-0.5 2,-0.4 -0.983 2.5-175.2-125.6 133.8 50.2 22.3 -12.3 453 475 A D E -OP 621 659L 36 206,-2.2 206,-2.0 -2,-0.4 168,-0.2 -0.980 30.6-115.8-128.3 136.3 47.8 22.6 -9.3 454 476 A A E - P 0 658L 2 166,-2.8 3,-0.5 -2,-0.4 2,-0.4 -0.501 40.1-120.5 -67.7 137.0 46.2 19.8 -7.2 455 477 A S S S- 0 0 31 202,-2.5 202,-0.4 1,-0.2 5,-0.1 -0.703 76.5 -24.3 -88.9 128.5 42.5 20.0 -7.7 456 478 A G S >> S+ 0 0 12 -2,-0.4 4,-2.1 3,-0.1 3,-0.7 0.797 84.6 173.8 42.6 37.1 40.2 20.5 -4.7 457 479 A L H 3> + 0 0 12 -3,-0.5 4,-1.5 1,-0.2 3,-0.3 0.845 67.1 36.3 -40.1 -64.5 43.0 19.0 -2.6 458 480 A E H 3> S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.732 114.0 56.8 -72.0 -18.5 41.9 19.4 0.9 459 481 A L H <> S+ 0 0 3 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.838 110.0 47.1 -76.2 -31.3 38.2 18.8 0.1 460 482 A R H X S+ 0 0 29 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.776 108.8 53.4 -76.8 -29.1 39.3 15.4 -1.4 461 483 A C H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.869 109.3 50.4 -70.8 -36.4 41.4 14.8 1.7 462 484 A L H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.908 109.0 50.2 -64.8 -43.5 38.2 15.4 3.7 463 485 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 12,-0.4 0.895 109.3 53.3 -61.8 -39.7 36.4 13.0 1.5 464 486 A H H >< S+ 0 0 32 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.936 111.2 44.4 -60.7 -49.0 39.1 10.4 2.1 465 487 A F H 3< S+ 0 0 44 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.738 113.6 48.7 -71.9 -23.8 38.9 10.7 5.9 466 488 A M H >X S+ 0 0 3 -4,-1.7 3,-2.5 1,-0.2 4,-2.3 0.553 84.5 95.5 -92.0 -4.9 35.1 10.6 6.0 467 489 A A H < S- 0 0 24 -4,-2.3 3,-2.1 -7,-0.2 -3,-0.2 0.156 100.0-122.2-120.2 15.2 29.9 7.7 4.7 471 493 A N T 3< S- 0 0 137 -4,-1.0 -4,-0.2 -5,-0.3 -3,-0.2 0.680 76.2 -50.1 51.2 23.2 31.4 4.8 2.7 472 494 A G T 3> S+ 0 0 17 -6,-0.2 4,-2.5 -9,-0.2 -1,-0.3 0.524 98.3 132.2 97.9 6.0 32.7 7.1 0.0 473 495 A E H <> S+ 0 0 84 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.945 78.8 43.4 -55.1 -50.9 29.5 9.1 -0.7 474 496 A Y H > S+ 0 0 54 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 111.8 51.7 -61.0 -50.8 31.4 12.4 -0.5 475 497 A A H > S+ 0 0 10 -12,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.893 114.4 46.1 -54.6 -39.2 34.4 11.3 -2.5 476 498 A H H < S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 109.8 51.9 -70.0 -44.1 32.0 10.1 -5.1 477 499 A E H >< S+ 0 0 94 -4,-2.8 3,-0.9 -5,-0.2 -2,-0.2 0.833 105.4 60.0 -61.6 -31.3 29.9 13.3 -5.0 478 500 A I H 3< S+ 0 0 13 -4,-2.4 2,-0.6 1,-0.3 5,-0.3 0.934 94.3 58.2 -64.0 -50.3 33.2 15.3 -5.5 479 501 A L T 3< S+ 0 0 90 -4,-1.4 2,-0.3 1,-0.2 -1,-0.3 0.121 84.2 94.5 -72.1 29.4 34.2 13.8 -8.8 480 502 A N S < S- 0 0 57 -3,-0.9 -1,-0.2 -2,-0.6 2,-0.2 -0.566 107.1 -49.1-116.9 63.7 30.9 15.0 -10.2 481 503 A G S S- 0 0 59 -2,-0.3 2,-0.7 4,-0.0 -1,-0.3 -0.453 99.6 -33.3 97.9-175.9 32.0 18.4 -11.7 482 504 A D > - 0 0 59 1,-0.2 4,-2.9 -2,-0.2 3,-0.4 -0.720 50.2-154.4 -85.1 115.5 34.1 21.0 -9.9 483 505 A I H > S+ 0 0 14 -2,-0.7 4,-1.8 -5,-0.3 -1,-0.2 0.878 94.1 51.3 -52.0 -46.0 33.3 21.0 -6.2 484 506 A H H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 113.2 44.3 -63.8 -36.2 34.3 24.7 -5.7 485 507 A T H > S+ 0 0 42 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.880 113.2 51.9 -73.1 -38.2 32.1 25.8 -8.6 486 508 A K H X S+ 0 0 102 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.775 112.4 47.6 -66.9 -27.1 29.4 23.5 -7.3 487 509 A N H X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.2 5,-0.4 0.953 105.9 54.9 -75.8 -56.6 29.9 25.3 -3.9 488 510 A Q H <>S+ 0 0 45 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.860 107.8 52.2 -44.2 -45.5 29.9 28.9 -5.3 489 511 A I H ><5S+ 0 0 74 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.981 115.3 38.3 -57.6 -62.3 26.5 28.2 -6.9 490 512 A A H 3<5S+ 0 0 88 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.982 117.9 47.4 -52.4 -68.9 24.8 26.9 -3.7 491 513 A A T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.605 107.3-132.7 -50.5 -8.8 26.5 29.4 -1.3 492 514 A E T < 5 + 0 0 85 -3,-1.0 -3,-0.2 -5,-0.4 -1,-0.2 0.882 47.0 171.6 53.8 38.5 25.4 31.9 -4.0 493 515 A L < - 0 0 23 -5,-2.5 -1,-0.2 -6,-0.2 6,-0.1 -0.414 39.6-129.0 -80.5 154.9 29.0 33.2 -3.7 494 516 A P S S+ 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.967 83.5 19.7 -67.2 -58.9 30.6 35.8 -6.1 495 517 A T S > S- 0 0 43 1,-0.1 4,-1.2 -7,-0.0 5,-0.1 -0.684 71.5-119.8-113.7 167.4 33.8 34.1 -7.1 496 518 A R H > S+ 0 0 87 -2,-0.2 4,-0.9 2,-0.2 -8,-0.1 0.710 118.4 53.7 -75.2 -20.7 35.2 30.6 -7.2 497 519 A D H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.858 105.0 51.9 -78.7 -38.3 37.9 31.8 -4.8 498 520 A N H > S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.824 109.0 52.4 -65.9 -30.3 35.4 33.2 -2.4 499 521 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.805 110.7 47.1 -74.3 -31.1 33.7 29.8 -2.5 500 522 A K H X S+ 0 0 65 -4,-0.9 4,-2.4 2,-0.2 5,-0.3 0.941 112.0 47.8 -74.0 -50.6 37.1 28.1 -1.7 501 523 A T H X S+ 0 0 63 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.815 115.1 50.3 -59.7 -30.4 37.9 30.5 1.2 502 524 A F H X S+ 0 0 22 -4,-1.3 4,-3.2 -5,-0.2 3,-0.3 0.977 109.7 45.7 -70.6 -59.8 34.3 29.9 2.4 503 525 A I H X S+ 0 0 15 -4,-2.3 4,-2.9 1,-0.3 -2,-0.2 0.837 117.0 46.3 -55.4 -35.8 34.4 26.1 2.3 504 526 A Y H X S+ 0 0 52 -4,-2.4 4,-1.4 2,-0.2 -1,-0.3 0.795 111.9 49.3 -80.3 -26.7 37.7 26.0 4.0 505 527 A G H < S+ 0 0 53 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.919 117.9 42.6 -73.4 -41.4 36.8 28.5 6.7 506 528 A F H < S+ 0 0 40 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.955 112.9 49.7 -66.3 -55.2 33.7 26.5 7.3 507 529 A L H < 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -3,-0.2 0.851 360.0 360.0 -55.0 -36.6 35.3 23.1 7.2 508 530 A Y < 0 0 54 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.471 360.0 360.0-100.7 360.0 37.9 24.3 9.6 509 ! 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 0.0 510 534 A D > 0 0 109 0, 0.0 4,-2.7 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 -34.2 29.3 32.5 12.0 511 535 A E H > + 0 0 63 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.971 360.0 47.4 -62.3 -57.5 30.7 36.0 11.8 512 536 A K H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 114.2 50.0 -51.2 -43.4 33.9 35.2 10.1 513 537 A I H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.941 112.9 45.8 -60.9 -48.7 31.9 33.1 7.7 514 538 A G H X>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-1.3 0.903 111.5 51.9 -61.6 -43.1 29.5 35.9 7.1 515 539 A Q H <5S+ 0 0 51 -4,-3.6 3,-0.3 3,-0.2 -1,-0.2 0.932 111.8 46.1 -59.4 -47.6 32.4 38.4 6.7 516 540 A I H <5S+ 0 0 59 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 117.8 43.6 -62.8 -38.1 34.1 36.2 4.1 517 541 A V H <5S- 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.590 119.5-112.7 -82.6 -12.9 30.7 35.7 2.3 518 542 A G T <5S+ 0 0 70 -4,-1.3 -3,-0.2 1,-0.3 2,-0.1 0.443 83.1 91.9 96.2 0.9 30.0 39.4 2.6 519 543 A A S > - 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