==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ELECTRON TRANSPORT/DNA 07-JUN-04 1TK0 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.G.BRIEBA,B.F.EICHMAN,R.J.KOKOSKA,S.DOUBLIE,T.A.KUNKEL, . 791 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 11.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 1 2 1 3 1 0 1 1 3 2 0 1 0 0 1 0 1 2 1 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 . 8 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 . 5 1 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,-2.4 0, 0.0 26,-0.3 0.000 360.0 360.0 360.0 134.5 79.3 100.9 44.6 2 2 A I E -Ab 25 56A 2 53,-2.6 55,-2.7 23,-0.2 2,-0.5 -0.907 360.0-144.3-128.1 157.0 81.2 97.6 44.3 3 3 A V E +Ab 24 57A 0 21,-2.6 21,-2.7 -2,-0.3 2,-0.3 -0.989 31.6 168.8-120.6 127.4 80.3 94.2 42.8 4 4 A S E +A 23 0A 0 53,-3.3 55,-0.4 -2,-0.5 2,-0.3 -0.875 21.0 177.0-139.7 171.3 81.6 91.2 44.6 5 5 A D E -A 22 0A 14 17,-1.2 17,-1.9 -2,-0.3 2,-0.3 -0.926 14.5-150.9-168.2 145.1 81.5 87.4 45.0 6 6 A I E -A 21 0A 4 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.853 7.5-145.4-124.4 162.0 83.5 84.8 47.0 7 7 A E E +A 20 0A 19 13,-2.9 12,-2.8 -2,-0.3 13,-1.9 -0.998 27.9 170.6-124.7 126.1 84.4 81.2 46.7 8 8 A A E -A 18 0A 5 -2,-0.4 10,-0.2 10,-0.3 148,-0.1 -0.773 44.1-101.0-128.5 176.0 84.6 79.1 49.9 9 9 A N S S- 0 0 27 8,-2.1 2,-0.3 -2,-0.2 145,-0.1 0.422 89.7 -6.4 -84.3 1.6 84.9 75.4 50.7 10 10 A A S S- 0 0 32 7,-0.2 5,-0.1 145,-0.0 -2,-0.1 -0.987 85.2 -61.5-175.4 175.4 81.3 74.5 51.4 11 11 A L >> - 0 0 89 -2,-0.3 3,-1.5 1,-0.1 4,-1.0 -0.232 64.7 -92.8 -66.3 164.7 77.7 75.6 51.9 12 12 A L G >4 S+ 0 0 28 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.840 119.3 66.1 -48.1 -45.7 77.0 78.0 54.7 13 13 A E G 34 S+ 0 0 145 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.787 123.7 11.1 -50.7 -34.4 76.1 75.3 57.3 14 14 A S G <4 S+ 0 0 77 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.209 84.0 141.1-135.0 19.7 79.7 74.0 57.3 15 15 A V << + 0 0 0 -4,-1.0 3,-0.1 -3,-0.7 -4,-0.0 -0.402 9.4 159.2 -65.1 136.5 81.9 76.4 55.4 16 16 A T + 0 0 73 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.437 54.0 58.9-133.8 -12.3 85.3 76.8 57.2 17 17 A K - 0 0 105 58,-0.0 -8,-2.1 -7,-0.0 2,-0.6 -0.975 59.1-150.0-133.9 132.7 87.6 78.2 54.5 18 18 A F E +A 8 0A 3 -2,-0.4 -10,-0.3 -10,-0.2 21,-0.1 -0.813 18.1 180.0 -89.1 124.1 87.5 81.3 52.3 19 19 A H E - 0 0 7 -12,-2.8 2,-0.3 -2,-0.6 -11,-0.2 0.888 55.2 -39.8 -92.7 -50.5 89.2 80.4 49.0 20 20 A C E -A 7 0A 0 -13,-1.9 -13,-2.9 15,-0.2 -1,-0.4 -0.984 47.2-155.6-166.4 172.8 89.1 83.7 47.1 21 21 A G E -AC 6 34A 0 13,-2.2 13,-2.8 -2,-0.3 2,-0.4 -0.981 6.8-148.3-155.0 160.1 87.1 86.7 46.3 22 22 A V E -AC 5 33A 0 -17,-1.9 -17,-1.2 -2,-0.3 2,-0.4 -0.997 7.4-165.3-136.9 140.4 86.8 89.4 43.6 23 23 A I E -AC 4 32A 9 9,-2.3 9,-2.1 -2,-0.4 2,-0.6 -0.992 4.9-166.3-129.3 127.7 85.8 93.0 43.8 24 24 A Y E -AC 3 31A 22 -21,-2.7 -21,-2.6 -2,-0.4 2,-0.5 -0.971 15.2-158.3-110.5 121.4 84.8 95.3 40.9 25 25 A D E >>> -AC 2 30A 24 5,-1.9 4,-2.3 -2,-0.6 5,-0.9 -0.897 12.4-154.2-106.4 123.8 84.8 98.9 42.0 26 26 A Y T 345S+ 0 0 37 -25,-2.4 -1,-0.1 -2,-0.5 -24,-0.1 0.793 93.3 57.1 -64.0 -30.1 82.7 101.4 40.0 27 27 A S T 345S+ 0 0 88 -26,-0.3 -1,-0.2 1,-0.2 -25,-0.1 0.753 121.3 26.7 -75.6 -22.6 84.9 104.4 41.0 28 28 A T T <45S- 0 0 85 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.574 95.7-138.7-109.1 -19.3 88.1 102.8 39.6 29 29 A A T <5 + 0 0 60 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.808 61.5 121.5 63.4 31.6 86.4 100.7 37.0 30 30 A E E < -C 25 0A 131 -5,-0.9 -5,-1.9 2,-0.0 2,-0.4 -0.924 59.8-129.5-130.9 154.7 88.8 97.8 37.9 31 31 A Y E -C 24 0A 85 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.796 20.6-168.8 -98.5 139.3 88.7 94.2 39.1 32 32 A V E -C 23 0A 64 -9,-2.1 -9,-2.3 -2,-0.4 2,-0.4 -0.997 7.8-151.1-130.6 129.1 90.8 93.1 42.0 33 33 A S E -C 22 0A 39 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.795 4.6-163.0-101.3 141.9 91.3 89.4 43.0 34 34 A Y E -C 21 0A 33 -13,-2.8 -13,-2.2 -2,-0.4 -2,-0.0 -0.993 8.4-162.3-124.1 124.4 92.0 88.2 46.6 35 35 A R > - 0 0 86 -2,-0.5 3,-2.5 -15,-0.2 4,-0.3 -0.340 45.9 -74.3 -94.8-178.5 93.4 84.8 47.1 36 36 A P G > S+ 0 0 56 0, 0.0 3,-1.1 0, 0.0 -18,-0.1 0.837 132.6 48.2 -48.3 -40.6 93.4 82.8 50.4 37 37 A S G 3 S+ 0 0 113 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.524 104.8 63.7 -80.0 -0.6 96.1 84.8 52.1 38 38 A D G <> + 0 0 60 -3,-2.5 4,-2.4 1,-0.2 3,-0.4 0.363 66.8 110.5-100.9 4.7 94.3 88.0 51.1 39 39 A F H <> S+ 0 0 7 -3,-1.1 4,-2.4 -4,-0.3 5,-0.2 0.880 77.6 49.1 -45.3 -52.1 91.1 87.3 53.1 40 40 A G H > S+ 0 0 17 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.899 111.4 49.8 -57.8 -41.4 91.7 90.1 55.6 41 41 A A H > S+ 0 0 45 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.881 108.0 54.5 -65.2 -38.4 92.4 92.5 52.8 42 42 A Y H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.944 109.6 46.1 -60.2 -49.7 89.2 91.5 51.1 43 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.884 109.4 56.1 -61.5 -38.3 87.1 92.2 54.2 44 44 A D H X S+ 0 0 85 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.938 106.0 50.8 -59.3 -45.2 88.9 95.5 54.6 45 45 A A H X S+ 0 0 25 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.863 110.3 49.3 -61.4 -37.4 87.8 96.5 51.1 46 46 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.954 112.1 46.7 -68.1 -48.7 84.2 95.6 51.9 47 47 A E H X S+ 0 0 74 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.843 106.8 59.7 -61.9 -32.0 84.1 97.6 55.2 48 48 A A H X S+ 0 0 45 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.902 103.4 50.3 -62.3 -41.2 85.8 100.5 53.4 49 49 A E H <>S+ 0 0 6 -4,-1.4 5,-2.7 -3,-0.3 -1,-0.2 0.850 109.7 52.3 -64.8 -34.1 82.9 100.8 51.0 50 50 A V H ><5S+ 0 0 36 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.874 105.7 53.5 -68.9 -37.7 80.6 100.7 54.0 51 51 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 104.7 55.6 -67.5 -28.3 82.5 103.6 55.6 52 52 A R T 3<5S- 0 0 142 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.425 118.8-112.4 -82.3 0.7 82.0 105.6 52.4 53 53 A G T < 5S+ 0 0 22 -3,-1.4 144,-2.2 -5,-0.1 145,-0.3 0.796 74.5 141.8 70.8 27.5 78.3 105.1 52.7 54 54 A G < - 0 0 6 -5,-2.7 2,-0.3 142,-0.2 143,-0.2 0.072 48.2-103.5 -88.1-161.3 78.5 103.0 49.6 55 55 A L - 0 0 0 138,-0.1 -53,-2.6 140,-0.1 2,-0.5 -0.973 13.2-154.4-134.4 145.0 77.0 99.8 48.3 56 56 A I E -bd 2 88A 0 31,-2.8 33,-2.6 -2,-0.3 2,-0.5 -0.972 12.4-159.0-120.3 121.3 78.0 96.2 47.9 57 57 A V E +bd 3 89A 0 -55,-2.7 -53,-3.3 -2,-0.5 2,-0.3 -0.890 18.0 164.7-106.2 125.0 76.4 94.0 45.2 58 58 A F E - d 0 90A 0 31,-2.4 33,-2.1 -2,-0.5 2,-0.7 -0.818 38.7-122.8-125.4 163.9 76.5 90.2 45.5 59 59 A H S S- 0 0 6 -55,-0.4 6,-0.2 -2,-0.3 31,-0.1 -0.964 102.6 -8.9-111.5 109.6 74.4 87.7 43.6 60 60 A N S > S+ 0 0 24 -2,-0.7 4,-2.0 4,-0.1 5,-0.5 0.747 95.3 138.7 73.2 26.3 72.6 85.7 46.3 61 61 A G T 4> + 0 0 0 3,-0.2 5,-2.1 1,-0.2 7,-0.2 0.821 57.9 66.1 -71.1 -31.1 74.8 87.4 48.9 62 62 A H T 45S+ 0 0 3 1,-0.2 -1,-0.2 3,-0.1 28,-0.0 0.913 114.6 28.9 -58.6 -41.6 71.9 87.9 51.4 63 63 A K T 45S+ 0 0 38 -3,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.805 139.9 10.2 -89.8 -28.9 71.7 84.1 51.9 64 64 A Y T X5S+ 0 0 42 -4,-2.0 4,-3.0 3,-0.1 5,-0.3 0.784 119.8 41.3-112.9 -77.5 75.2 83.1 51.3 65 65 A D H >5S+ 0 0 3 -5,-0.5 4,-2.4 1,-0.2 5,-0.2 0.853 115.0 47.1 -45.4 -52.0 78.2 85.5 50.9 66 66 A V H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.905 115.7 55.8 -65.3 -36.8 76.6 85.4 56.4 68 68 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.896 106.5 49.8 -60.5 -40.9 79.4 83.2 55.2 69 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.885 109.1 51.4 -66.7 -39.2 81.9 86.1 55.5 70 70 A T H X S+ 0 0 41 -4,-1.8 4,-1.6 2,-0.2 11,-0.2 0.945 114.9 43.7 -61.5 -46.5 80.7 86.8 59.1 71 71 A K H X S+ 0 0 67 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 116.8 44.8 -63.8 -48.9 81.2 83.1 59.9 72 72 A L H X>S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.6 0.857 108.4 57.0 -65.7 -37.1 84.6 82.8 58.1 73 73 A A H X5S+ 0 0 0 -4,-2.8 6,-2.6 -5,-0.2 4,-1.2 0.896 111.0 44.9 -61.7 -39.3 86.0 86.1 59.6 74 74 A K H X5S+ 0 0 94 -4,-1.6 4,-0.7 4,-0.3 -2,-0.2 0.954 118.4 41.8 -69.7 -49.8 85.3 84.7 63.1 75 75 A L H <5S+ 0 0 104 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.949 126.8 27.3 -63.0 -53.8 86.8 81.3 62.4 76 76 A Q H <5S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.841 138.3 19.5 -82.6 -36.5 89.9 82.1 60.4 77 77 A L H < - 0 0 42 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.449 15.3-123.5 -71.7 144.8 74.9 96.3 57.5 85 85 A R G > S+ 0 0 44 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.896 108.8 58.6 -52.0 -48.2 71.7 95.4 55.7 86 86 A E G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.613 101.9 56.5 -61.5 -12.9 71.3 98.9 54.2 87 87 A N G < S+ 0 0 5 -3,-1.6 -31,-2.8 -32,-0.1 2,-0.4 0.484 94.1 86.9 -97.9 -2.4 74.6 98.6 52.4 88 88 A C E < -d 56 0A 0 -3,-2.0 2,-0.4 -4,-0.3 -31,-0.2 -0.811 48.3-175.1-110.2 143.3 73.8 95.4 50.5 89 89 A I E -d 57 0A 0 -33,-2.6 -31,-2.4 -2,-0.4 2,-0.5 -0.963 9.4-158.1-126.4 141.4 72.2 94.6 47.2 90 90 A D E > -d 58 0A 1 -2,-0.4 4,-2.5 -33,-0.2 -31,-0.2 -0.961 8.0-161.2-125.2 113.9 71.4 91.2 45.8 91 91 A T H > S+ 0 0 0 -33,-2.1 4,-2.3 -2,-0.5 -32,-0.2 0.719 95.5 56.8 -65.3 -20.7 70.9 90.8 42.1 92 92 A L H > S+ 0 0 11 -34,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.911 108.5 45.7 -74.6 -43.5 69.1 87.5 42.7 93 93 A V H > S+ 0 0 15 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.916 115.7 47.9 -62.4 -43.5 66.6 89.3 44.9 94 94 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 3,-0.4 0.912 111.1 50.2 -63.2 -44.1 66.4 92.0 42.2 95 95 A S H X S+ 0 0 12 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.907 109.1 51.7 -61.0 -43.2 65.9 89.5 39.4 96 96 A R H < S+ 0 0 17 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.722 114.1 44.7 -67.7 -21.2 63.2 87.7 41.3 97 97 A L H >< S+ 0 0 1 -4,-1.0 3,-0.9 -3,-0.4 -2,-0.2 0.936 121.5 34.7 -84.3 -55.8 61.4 91.1 41.7 98 98 A I H 3< S+ 0 0 17 -4,-2.8 2,-0.3 1,-0.3 3,-0.2 0.882 127.6 37.8 -66.8 -42.2 61.7 92.4 38.2 99 99 A H T >< S+ 0 0 45 -4,-3.0 3,-1.5 -5,-0.3 -1,-0.3 -0.408 74.2 144.3-106.3 52.9 61.4 89.1 36.4 100 100 A S T < + 0 0 15 -3,-0.9 -1,-0.2 -2,-0.3 317,-0.1 0.632 64.4 62.9 -67.3 -14.7 58.8 87.7 38.8 101 101 A N T 3 S+ 0 0 74 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.589 95.3 75.4 -86.8 -10.2 57.0 85.9 36.0 102 102 A L S < S- 0 0 54 -3,-1.5 2,-0.1 15,-0.1 17,-0.1 -0.674 73.7-133.5-103.0 156.5 60.1 83.7 35.4 103 103 A K - 0 0 95 15,-0.7 17,-0.4 13,-0.4 2,-0.3 -0.411 19.0-163.3 -93.4 175.8 61.4 80.7 37.3 104 104 A D - 0 0 43 -2,-0.1 20,-0.1 15,-0.1 15,-0.0 -0.945 32.0-110.4-153.7 164.8 65.1 80.2 38.3 105 105 A T >> - 0 0 8 -2,-0.3 5,-2.1 18,-0.1 4,-1.2 0.344 48.0-117.3 -84.5 7.6 67.2 77.2 39.5 106 106 A D T >45S- 0 0 16 1,-0.2 3,-0.6 2,-0.2 -1,-0.0 0.927 78.7 -48.5 55.0 46.6 67.6 78.6 43.0 107 107 A M T 345S- 0 0 59 1,-0.2 -1,-0.2 16,-0.1 23,-0.1 0.841 114.3 -44.1 63.2 38.4 71.3 78.7 42.4 108 108 A G T 345S+ 0 0 42 2,-0.2 -1,-0.2 22,-0.1 -2,-0.2 0.520 110.5 111.8 89.4 5.1 71.6 75.2 41.0 109 109 A L T <<5S+ 0 0 112 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.2 0.696 77.2 51.3 -82.3 -19.7 69.4 73.4 43.5 110 110 A L S > - 0 0 177 -2,-0.4 3,-1.3 1,-0.1 4,-0.5 -0.497 22.1-138.4 -67.5 129.6 67.4 71.2 37.5 112 112 A S G >4 S+ 0 0 39 1,-0.2 3,-0.9 -2,-0.2 -1,-0.1 0.828 99.0 59.9 -58.9 -34.1 66.9 73.8 34.8 113 113 A G G 34 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.0 0.649 97.4 59.0 -71.1 -15.2 65.1 71.3 32.5 114 114 A K G <4 S+ 0 0 143 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.626 87.6 93.1 -87.5 -15.0 62.3 70.7 35.0 115 115 A L S << S- 0 0 32 -3,-0.9 2,-0.1 -4,-0.5 -10,-0.0 -0.588 74.7-125.6 -84.6 139.2 61.2 74.4 35.2 116 116 A P + 0 0 86 0, 0.0 -13,-0.4 0, 0.0 -2,-0.1 -0.456 68.5 6.0 -80.2 154.8 58.5 75.7 32.9 117 117 A G S S- 0 0 74 -2,-0.1 2,-0.2 -15,-0.1 -15,-0.1 -0.197 99.9 -38.8 74.7-164.8 59.0 78.8 30.7 118 124 A A - 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0 0 32 -14,-2.8 -1,-0.1 1,-0.2 -15,-0.1 -0.718 17.2-160.8 -84.7 104.6 69.0 19.3 26.7 306 317 A T + 0 0 136 -2,-1.0 -1,-0.2 2,-0.0 470,-0.1 0.592 52.7 129.8 -59.8 -7.6 68.2 20.4 30.2 307 318 A R - 0 0 32 -17,-0.1 469,-0.1 1,-0.1 -2,-0.1 -0.148 60.8-142.0 -51.9 141.6 67.5 23.8 28.5 308 319 A E S S+ 0 0 79 469,-0.1 470,-3.3 467,-0.0 2,-0.2 0.605 78.9 57.2 -82.0 -13.4 64.2 25.4 29.4 309 320 A Y - 0 0 60 468,-0.2 -19,-0.4 -19,-0.1 2,-0.3 -0.646 63.0-150.2-117.3 173.2 63.7 26.7 25.8 310 321 A V > - 0 0 3 468,-0.4 3,-1.7 3,-0.4 -20,-0.2 -0.922 31.8-112.5-146.0 114.6 63.5 25.4 22.2 311 322 A A T 3 S+ 0 0 35 -22,-1.2 -24,-0.2 -2,-0.3 -22,-0.1 -0.171 102.5 21.5 -47.6 129.3 64.5 27.4 19.2 312 323 A G T 3 S+ 0 0 49 -26,-1.6 -1,-0.2 1,-0.2 468,-0.1 -0.256 94.0 104.7 105.8 -45.8 61.5 28.3 17.1 313 324 A A < - 0 0 2 -3,-1.7 -3,-0.4 466,-0.1 468,-0.2 -0.613 63.2-147.4 -76.6 107.7 58.8 27.9 19.8 314 325 A P + 0 0 15 0, 0.0 466,-2.4 0, 0.0 2,-0.3 -0.362 19.1 178.9 -75.7 152.9 57.7 31.4 20.9 315 326 A Y B -K 284 0G 4 -31,-0.6 -31,-1.4 464,-0.2 449,-0.0 -0.945 30.5-111.0-146.6 165.2 56.5 32.3 24.4 316 327 A T E -M 762 0I 0 446,-3.6 446,-1.8 -2,-0.3 -33,-0.2 -0.894 28.6-135.8-107.6 112.8 55.4 35.4 26.3 317 328 A P E -M 761 0I 2 0, 0.0 -55,-2.1 0, 0.0 2,-0.3 -0.380 32.0-177.2 -62.1 137.0 57.8 36.7 28.9 318 329 A V E -H 261 0D 4 442,-2.6 2,-0.3 -57,-0.3 -59,-0.0 -0.957 21.5-147.1-140.0 158.5 55.9 37.6 32.1 319 330 A E E -H 260 0D 69 -59,-2.9 -59,-2.1 -2,-0.3 2,-0.5 -0.921 22.7-123.4-121.9 148.4 56.5 39.1 35.6 320 331 A H E -H 259 0D 76 -2,-0.3 2,-0.4 -61,-0.2 -61,-0.2 -0.811 31.9-164.6 -91.7 127.4 54.7 38.3 38.8 321 332 A V E -H 258 0D 14 -63,-3.2 -63,-2.1 -2,-0.5 2,-0.4 -0.953 10.7-148.3-122.6 135.5 53.2 41.3 40.4 322 333 A V - 0 0 87 -2,-0.4 -66,-0.1 -65,-0.2 -65,-0.1 -0.763 39.0 -92.9 -96.6 138.3 51.9 41.9 43.9 323 334 A F - 0 0 3 -68,-0.4 -1,-0.1 -2,-0.4 -66,-0.1 -0.251 40.0-162.0 -51.7 126.8 49.0 44.2 44.6 324 335 A N > - 0 0 70 3,-0.1 3,-2.5 1,-0.1 7,-0.3 -0.929 11.7-157.9-117.6 106.4 50.3 47.6 45.5 325 336 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.656 93.7 60.7 -56.5 -16.7 47.8 49.9 47.2 326 337 A S T 3 S+ 0 0 51 52,-0.1 2,-0.7 -3,-0.0 3,-0.1 0.614 84.9 91.3 -86.1 -13.5 49.8 52.9 46.1 327 338 A S <> - 0 0 29 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 -0.747 58.5-164.4 -88.0 115.3 49.3 52.0 42.4 328 339 A R H > S+ 0 0 68 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.814 93.5 56.6 -65.4 -28.3 46.2 53.7 41.0 329 340 A D H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.959 107.2 46.3 -67.1 -51.4 46.5 51.3 38.1 330 341 A H H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.945 113.5 48.4 -56.0 -51.3 46.4 48.2 40.4 331 342 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 -7,-0.3 -1,-0.2 0.904 112.1 51.0 -55.8 -41.9 43.4 49.7 42.3 332 343 A Q H X S+ 0 0 36 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.930 111.1 47.8 -60.7 -48.4 41.7 50.4 39.0 333 344 A K H X S+ 0 0 61 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.941 114.2 44.3 -59.1 -54.0 42.3 46.8 37.8 334 345 A K H < S+ 0 0 27 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.879 113.6 49.9 -62.6 -41.0 41.0 45.1 40.9 335 346 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.3 -5,-0.3 3,-0.8 0.883 111.1 46.7 -69.6 -38.3 38.0 47.3 41.4 336 347 A Q H ><5S+ 0 0 69 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.877 107.8 58.1 -69.9 -33.0 36.7 47.0 37.8 337 348 A E T 3<5S+ 0 0 121 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.619 103.2 55.6 -67.8 -11.5 37.3 43.2 38.1 338 349 A A T < 5S- 0 0 22 -3,-0.8 26,-0.7 -4,-0.3 27,-0.3 0.211 134.2 -90.1-103.5 10.6 34.9 43.5 41.0 339 350 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.505 74.3 152.0 96.4 4.8 32.2 45.1 38.8 340 351 A W < - 0 0 32 -5,-2.3 -1,-0.3 -6,-0.1 23,-0.1 -0.513 33.9-151.1 -72.9 134.7 33.1 48.7 39.3 341 352 A V - 0 0 111 -2,-0.2 -1,-0.1 21,-0.2 -5,-0.0 -0.857 15.6-136.3-109.0 97.1 32.1 50.9 36.3 342 353 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 -10,-0.0 -0.257 22.3-177.2 -53.5 130.4 34.5 53.9 36.1 343 354 A T + 0 0 130 1,-0.3 2,-0.4 9,-0.1 14,-0.0 0.892 64.2 37.9 -94.0 -60.7 32.5 57.1 35.4 344 355 A K - 0 0 97 8,-0.1 8,-2.3 0, 0.0 -1,-0.3 -0.799 66.3-177.3-102.2 137.1 35.1 59.8 35.1 345 356 A Y B -N 351 0J 108 -2,-0.4 2,-0.2 6,-0.3 -2,-0.0 -0.561 25.6-101.1-117.0-177.9 38.5 59.4 33.4 346 357 A T > - 0 0 59 4,-2.3 2,-3.2 -2,-0.2 3,-2.5 -0.615 41.2 -92.7-105.3 166.4 41.6 61.6 32.8 347 358 A D T 3 S+ 0 0 184 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.286 126.0 49.1 -73.4 56.2 42.8 63.5 29.8 348 359 A K T 3 S- 0 0 198 -2,-3.2 -1,-0.3 2,-0.1 0, 0.0 0.184 124.4 -93.3-173.6 6.4 44.8 60.5 28.9 349 360 A G S < S+ 0 0 59 -3,-2.5 -2,-0.1 1,-0.3 0, 0.0 0.573 81.7 130.1 83.5 10.0 42.3 57.6 29.2 350 361 A A - 0 0 45 -4,-0.1 -4,-2.3 1,-0.0 -1,-0.3 -0.794 62.0-113.8 -99.3 138.6 43.0 56.6 32.8 351 362 A P B -N 345 0J 22 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.473 36.6-108.7 -69.3 137.7 40.1 56.2 35.2 352 363 A V - 0 0 25 -8,-2.3 -9,-0.1 -2,-0.2 -8,-0.1 -0.462 35.8-178.8 -66.7 134.4 40.2 58.8 38.0 353 364 A V + 0 0 16 -2,-0.2 2,-0.1 4,-0.1 -1,-0.1 -0.462 31.2 128.4-133.6 60.0 41.2 57.1 41.3 354 365 A D S > S- 0 0 57 1,-0.0 4,-2.1 -26,-0.0 5,-0.2 -0.396 76.4 -86.8-101.7-174.3 41.1 60.0 43.9 355 366 A D H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.800 121.9 60.3 -67.2 -29.5 39.4 60.1 47.2 356 367 A E H > S+ 0 0 95 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.959 111.3 38.0 -62.9 -51.3 36.1 61.3 45.8 357 368 A V H >> S+ 0 0 21 2,-0.2 3,-1.3 1,-0.2 4,-1.2 0.938 113.6 55.1 -66.6 -47.2 35.6 58.3 43.5 358 369 A L H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.925 106.0 52.8 -51.1 -47.5 36.9 55.8 46.0 359 370 A E H 3< S+ 0 0 99 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.759 114.9 43.4 -60.5 -23.9 34.4 57.0 48.5 360 371 A G H << S+ 0 0 47 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.516 85.0 115.5-100.9 -6.9 31.7 56.5 45.9 361 372 A V << - 0 0 2 -4,-1.2 2,-0.4 -3,-1.0 11,-0.0 -0.365 43.8-169.0 -64.9 142.1 32.8 53.1 44.5 362 373 A R + 0 0 155 -27,-0.1 2,-0.3 -2,-0.1 -21,-0.2 -0.968 10.1 170.7-139.2 119.6 30.3 50.2 45.0 363 374 A V - 0 0 14 -2,-0.4 -24,-0.1 2,-0.1 6,-0.1 -0.897 36.1-125.6-124.7 156.2 31.0 46.5 44.5 364 375 A D S S+ 0 0 156 -26,-0.7 -1,-0.1 -2,-0.3 -25,-0.1 0.916 87.9 83.4 -69.1 -45.3 29.0 43.5 45.4 365 376 A D S > S- 0 0 62 -27,-0.3 4,-2.5 1,-0.2 3,-0.3 -0.487 70.6-151.4 -66.0 111.0 31.6 41.5 47.3 366 377 A P H > S+ 0 0 99 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.702 91.6 57.3 -54.5 -25.9 31.4 43.0 50.9 367 378 A E H > S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.954 111.6 39.3 -72.9 -49.9 35.1 42.2 51.6 368 379 A K H > S+ 0 0 54 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.867 111.7 59.3 -65.7 -35.6 36.4 44.2 48.6 369 380 A Q H < S+ 0 0 47 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.874 110.0 43.8 -59.2 -35.0 33.8 46.8 49.3 370 381 A A H >X S+ 0 0 51 -4,-1.2 4,-1.0 -5,-0.2 3,-0.9 0.745 102.5 65.6 -81.2 -25.7 35.5 47.1 52.7 371 382 A A H 3X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.741 88.0 71.0 -69.1 -21.1 39.0 47.0 51.2 372 383 A I H 3X S+ 0 0 4 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.2 0.834 97.9 48.3 -64.5 -31.7 38.2 50.3 49.6 373 384 A D H <> S+ 0 0 90 -3,-0.9 4,-2.3 -4,-0.3 -1,-0.2 0.866 108.5 53.6 -76.0 -34.1 38.3 52.0 53.0 374 385 A L H X S+ 0 0 36 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.844 108.5 51.0 -66.1 -33.3 41.6 50.3 53.8 375 386 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.900 107.3 51.9 -69.9 -42.6 43.0 51.7 50.5 376 387 A K H X S+ 0 0 32 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.968 114.0 44.4 -56.9 -52.8 41.8 55.2 51.4 377 388 A E H X S+ 0 0 62 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.917 110.8 54.6 -57.2 -47.7 43.6 54.9 54.8 378 389 A Y H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 107.7 48.7 -55.7 -46.1 46.7 53.4 53.1 379 390 A L H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 112.9 47.7 -63.2 -42.1 47.2 56.2 50.7 380 391 A M H X S+ 0 0 41 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.921 109.7 53.0 -64.1 -42.6 46.8 58.8 53.5 381 392 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.886 109.1 50.6 -58.6 -39.4 49.3 56.8 55.6 382 393 A Q H X S+ 0 0 44 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.893 104.6 56.1 -65.7 -40.9 51.7 57.0 52.7 383 394 A K H X S+ 0 0 136 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.923 112.4 43.5 -56.8 -44.5 51.3 60.7 52.3 384 395 A R H X S+ 0 0 28 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.902 115.1 47.3 -69.4 -43.0 52.3 61.1 56.0 385 396 A I H X>S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-2.2 0.941 112.2 50.4 -64.4 -47.0 55.2 58.6 55.8 386 397 A G H <>S+ 0 0 22 -4,-3.4 5,-2.2 4,-0.2 -2,-0.2 0.933 115.7 41.3 -57.2 -47.6 56.6 60.2 52.7 387 398 A Q H <5S+ 0 0 37 -4,-2.0 8,-1.6 -5,-0.3 -1,-0.2 0.855 124.7 34.8 -70.7 -36.1 56.5 63.7 54.1 388 399 A S H <5S- 0 0 0 -4,-2.3 8,-2.1 6,-0.2 -2,-0.2 0.852 136.7 -6.8 -89.8 -36.2 57.8 62.9 57.5 389 400 A A T <5S+ 0 0 9 -4,-3.1 -3,-0.2 -5,-0.3 5,-0.1 0.759 124.1 36.4-132.1 -39.9 60.3 60.0 56.9 390 401 A E T - 0 0 0 -3,-1.4 3,-1.4 -5,-0.1 4,-0.9 -0.271 55.2-121.3 -61.5 145.8 61.3 64.1 54.5 395 406 A W H >> S+ 0 0 3 -8,-1.6 4,-1.0 1,-0.3 3,-0.9 0.878 112.9 57.3 -55.6 -40.7 61.6 66.0 57.8 396 407 A L H 34 S+ 0 0 39 -8,-2.1 -1,-0.3 1,-0.3 -7,-0.1 0.739 104.9 51.3 -65.3 -21.2 63.8 63.2 59.2 397 408 A R H <4 S+ 0 0 155 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.656 112.5 47.9 -87.4 -15.1 66.3 63.6 56.4 398 409 A Y H << S+ 0 0 84 -3,-0.9 8,-0.5 -4,-0.9 -2,-0.2 0.523 74.4 118.5-104.3 -5.4 66.5 67.4 57.0 399 410 A V B < -F 405 0B 43 -4,-1.0 6,-0.2 6,-0.1 2,-0.1 -0.435 55.3-145.7 -62.8 128.0 67.0 67.6 60.7 400 411 A A > - 0 0 38 4,-2.9 3,-1.3 -2,-0.2 -1,-0.1 -0.262 27.6 -98.1 -86.7 179.1 70.3 69.4 61.3 401 412 A E T 3 S+ 0 0 199 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.731 121.6 64.9 -70.3 -21.5 72.8 68.7 64.2 402 413 A D T 3 S- 0 0 72 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.296 118.8-110.4 -84.5 12.2 71.4 71.7 66.0 403 414 A G S < S+ 0 0 29 -3,-1.3 -175,-2.7 1,-0.2 2,-0.3 0.676 83.9 106.1 70.2 18.6 68.0 69.9 66.3 404 415 A K E -E 227 0B 23 -177,-0.2 -4,-2.9 -6,-0.1 2,-0.5 -0.873 67.4-127.9-127.5 161.5 66.3 72.2 63.8 405 416 A I E -EF 226 399B 1 -179,-1.7 -179,-2.1 -2,-0.3 2,-1.0 -0.949 16.7-155.3-108.9 123.0 65.0 72.0 60.3 406 417 A H - 0 0 49 -2,-0.5 -184,-0.1 -8,-0.5 -183,-0.0 -0.581 16.8-167.3-101.1 69.5 66.3 74.9 58.2 407 418 A G - 0 0 7 -2,-1.0 16,-0.2 -186,-0.1 2,-0.2 -0.222 18.3-121.2 -56.3 143.5 63.7 75.1 55.5 408 419 A S E -O 422 0K 16 14,-2.3 14,-1.6 16,-0.2 2,-0.4 -0.514 23.1-159.2 -88.3 155.3 64.5 77.3 52.5 409 420 A V E -O 421 0K 5 12,-0.2 12,-0.2 -2,-0.2 -187,-0.1 -0.985 18.5-157.2-140.3 128.7 62.5 80.3 51.3 410 421 A N E > -O 420 0K 20 10,-2.4 10,-2.0 -2,-0.4 3,-1.8 -0.897 22.2-153.9 -99.0 100.2 62.3 82.0 48.0 411 422 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.704 89.9 21.6 -48.4 -27.5 61.1 85.4 49.4 412 423 A N T 3 S+ 0 0 5 1,-0.1 7,-0.2 7,-0.1 6,-0.1 -0.116 82.1 130.3-137.1 39.4 59.4 86.3 46.0 413 424 A G < + 0 0 22 -3,-1.8 2,-0.3 7,-0.1 6,-0.2 0.689 56.2 72.2 -68.7 -24.2 59.0 82.9 44.3 414 425 A A S > S- 0 0 26 4,-2.2 3,-2.0 -4,-0.2 6,-0.1 -0.746 85.7-122.9 -95.8 145.2 55.3 83.2 43.4 415 426 A V T 3 S+ 0 0 18 -2,-0.3 171,-0.3 1,-0.3 -1,-0.1 0.810 109.8 58.9 -52.7 -34.5 54.2 85.6 40.6 416 427 A T T 3 S- 0 0 3 169,-0.1 -1,-0.3 1,-0.1 188,-0.2 0.580 125.4 -96.3 -73.9 -12.1 51.9 87.4 43.0 417 428 A G S < S+ 0 0 0 -3,-2.0 -2,-0.1 1,-0.4 -4,-0.1 0.383 84.1 131.0 110.4 -4.0 54.7 88.4 45.4 418 429 A R - 0 0 66 -6,-0.1 -4,-2.2 1,-0.1 -1,-0.4 -0.315 57.3-116.3 -73.1 166.5 54.1 85.5 47.8 419 430 A A - 0 0 6 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.530 19.4-138.7 -98.7 169.6 57.1 83.5 48.8 420 431 A T E -O 410 0K 56 -10,-2.0 -10,-2.4 -2,-0.2 2,-0.4 -0.915 13.0-150.1-126.1 154.7 57.7 79.8 48.1 421 432 A H E +O 409 0K 21 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.980 23.1 152.1-131.4 140.5 59.1 77.2 50.5 422 433 A A E +O 408 0K 36 -14,-1.6 -14,-2.3 -2,-0.4 4,-0.1 -0.990 34.5 73.9-160.7 163.6 61.1 74.1 49.9 423 434 A F S S- 0 0 33 -2,-0.3 -1,-0.1 -16,-0.2 2,-0.1 0.921 138.8 -2.7 63.3 53.1 63.6 71.6 51.3 424 435 A P S S- 0 0 5 0, 0.0 2,-1.1 0, 0.0 -2,-0.3 0.728 98.6-124.2 -95.1 174.2 61.4 70.7 53.0 425 436 A N > - 0 0 39 1,-0.2 3,-1.3 -4,-0.2 -3,-0.1 -0.646 24.9-176.2 -80.2 101.0 58.3 72.9 52.4 426 437 A L T 3 S+ 0 0 13 -2,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.503 77.2 70.5 -75.6 -1.3 57.4 74.2 55.8 427 438 A A T 3 S+ 0 0 27 1,-0.2 -1,-0.3 -6,-0.0 -2,-0.1 0.192 95.7 52.7 -97.2 12.9 54.3 75.8 54.3 428 439 A Q < + 0 0 115 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.1 0.019 68.1 142.4-135.9 30.6 52.6 72.5 53.8 429 440 A I - 0 0 9 -3,-0.5 8,-0.0 1,-0.1 -3,-0.0 -0.557 65.4 -93.1 -71.8 134.9 52.8 70.8 57.2 430 441 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 -0.138 45.5-107.2 -49.5 140.1 49.5 68.8 57.8 431 442 A G > - 0 0 34 1,-0.1 3,-1.9 -3,-0.1 6,-0.1 -0.366 25.0-114.1 -69.1 150.9 46.9 70.8 59.7 432 443 A V T 3 S+ 0 0 24 1,-0.3 6,-0.7 5,-0.2 -1,-0.1 0.741 114.5 55.5 -57.2 -24.6 46.2 69.9 63.3 433 444 A R T 3 S+ 0 0 177 4,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.462 92.1 84.4 -90.4 -0.6 42.7 68.7 62.4 434 445 A S S X S- 0 0 40 -3,-1.9 3,-2.8 1,-0.1 4,-0.4 -0.592 102.5 -66.9 -95.5 162.2 43.7 66.2 59.7 435 446 A P T 3 S- 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.233 122.8 -1.3 -50.9 128.2 44.8 62.6 60.5 436 447 A Y T 3> S+ 0 0 51 -4,-0.1 4,-2.3 1,-0.1 5,-0.2 0.462 97.3 126.4 69.0 2.2 48.1 62.6 62.4 437 448 A G H <> + 0 0 0 -3,-2.8 4,-3.4 1,-0.2 5,-0.3 0.910 65.5 54.1 -56.2 -47.4 48.1 66.4 62.2 438 449 A E H > S+ 0 0 141 -6,-0.7 4,-2.7 -4,-0.4 -1,-0.2 0.928 111.3 45.0 -55.2 -48.0 48.5 67.0 65.9 439 450 A Q H > S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.907 115.9 47.2 -63.4 -42.2 51.5 64.8 66.1 440 451 A C H < S+ 0 0 2 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.948 116.6 43.1 -63.3 -49.0 53.0 66.4 63.0 441 452 A R H >< S+ 0 0 21 -4,-3.4 3,-1.3 1,-0.2 243,-0.8 0.847 109.9 55.0 -67.0 -38.8 52.3 69.9 64.1 442 453 A A H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.748 95.6 68.5 -69.2 -22.7 53.4 69.5 67.7 443 454 A A T 3< S+ 0 0 1 -4,-1.1 -214,-2.8 -3,-0.4 2,-0.7 0.651 92.3 66.3 -70.8 -15.1 56.8 68.2 66.5 444 455 A F B < S+G 228 0C 0 -3,-1.3 240,-3.1 -4,-0.3 2,-0.3 -0.932 78.4 120.1-107.4 109.9 57.6 71.7 65.3 445 456 A G S > S- 0 0 0 -218,-1.9 3,-1.6 -2,-0.7 238,-0.2 -0.948 71.2-118.3-172.1 150.6 57.9 74.0 68.3 446 457 A A G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.3 12,-1.3 0.781 108.2 71.6 -58.5 -28.9 59.9 76.4 70.4 447 458 A E G 3 S+ 0 0 67 235,-2.7 -1,-0.3 1,-0.3 236,-0.1 0.849 87.4 64.9 -58.0 -31.8 59.5 74.0 73.3 448 459 A H G < S+ 0 0 50 -3,-1.6 2,-0.5 234,-0.3 -1,-0.3 0.362 90.3 78.6 -75.1 7.2 61.9 71.7 71.4 449 460 A H < - 0 0 17 -3,-2.2 9,-1.8 9,-0.2 2,-0.4 -0.976 69.8-153.1-119.2 124.5 64.7 74.3 71.8 450 461 A L B -P 457 0L 105 -2,-0.5 6,-0.1 7,-0.2 5,-0.1 -0.807 30.7-103.6 -96.8 131.6 66.5 74.6 75.1 451 462 A D > - 0 0 15 5,-2.7 4,-1.3 -2,-0.4 176,-0.1 -0.190 24.6-127.5 -52.6 142.2 68.0 77.9 76.0 452 463 A G T 4 S+ 0 0 70 174,-0.5 -1,-0.1 2,-0.1 175,-0.1 0.696 103.3 29.3 -67.1 -18.7 71.8 78.0 75.5 453 464 A I T 4 S+ 0 0 158 3,-0.1 -1,-0.1 0, 0.0 174,-0.0 0.847 131.9 25.8-104.2 -59.0 72.3 79.3 79.0 454 465 A T T 4 S- 0 0 90 2,-0.1 -2,-0.1 1,-0.0 -3,-0.1 0.533 88.5-133.9 -86.7 -9.7 69.5 78.1 81.3 455 466 A G < + 0 0 36 -4,-1.3 -3,-0.1 1,-0.2 -1,-0.0 0.567 58.3 139.4 67.9 6.0 68.6 75.0 79.4 456 467 A K - 0 0 127 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.608 58.8-105.0 -85.3 142.7 64.9 75.9 79.7 457 468 A P B -P 450 0L 62 0, 0.0 -7,-0.2 0, 0.0 -10,-0.2 -0.263 34.1-120.6 -63.7 152.3 62.6 75.4 76.7 458 469 A W - 0 0 4 -9,-1.8 2,-0.3 -12,-1.3 187,-0.2 -0.383 21.0-123.7 -86.3 169.2 61.5 78.4 74.7 459 470 A V E -Q 644 0M 22 185,-3.4 185,-3.5 -13,-0.1 2,-0.4 -0.819 19.0-127.9-114.4 155.4 57.9 79.5 74.1 460 471 A Q E -QR 643 681M 0 221,-3.1 221,-2.1 -2,-0.3 2,-0.5 -0.854 11.8-163.6-111.2 139.3 56.2 80.0 70.8 461 472 A A E -QR 642 680M 0 181,-2.4 181,-2.3 -2,-0.4 2,-0.5 -0.971 9.7-169.8-118.7 116.4 54.2 83.0 69.5 462 473 A G E +QR 641 679M 3 217,-3.1 217,-2.8 -2,-0.5 2,-0.4 -0.939 6.3 179.7-110.2 124.0 52.0 82.3 66.5 463 474 A I E -QR 640 678M 1 177,-2.4 177,-2.2 -2,-0.5 2,-0.4 -0.989 1.8-179.2-127.1 130.4 50.4 85.3 64.7 464 475 A D E -QR 639 677M 33 213,-2.3 213,-2.0 -2,-0.4 175,-0.2 -0.989 31.8-114.0-131.5 135.3 48.1 85.1 61.7 465 476 A A E > - R 0 676M 3 173,-2.7 3,-0.7 -2,-0.4 2,-0.3 -0.479 39.5-115.9 -66.6 130.1 46.5 87.9 59.7 466 477 A S T 3 S- 0 0 29 209,-1.8 209,-0.4 1,-0.2 5,-0.2 -0.534 78.8 -27.3 -75.3 126.2 42.7 87.8 60.1 467 478 A G T >> S+ 0 0 9 -2,-0.3 4,-2.0 3,-0.1 3,-0.9 0.782 82.5 179.0 39.5 40.5 40.6 87.1 57.0 468 479 A L H <> + 0 0 12 -3,-0.7 4,-1.7 1,-0.2 3,-0.3 0.823 67.5 38.8 -36.5 -66.3 43.4 88.7 54.9 469 480 A E H 3> S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.764 113.2 55.3 -69.1 -21.4 42.2 88.4 51.4 470 481 A L H <> S+ 0 0 2 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.855 108.5 49.4 -75.1 -33.5 38.6 89.2 52.2 471 482 A R H X S+ 0 0 24 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.831 108.7 53.4 -71.6 -29.2 39.8 92.4 53.8 472 483 A C H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.897 108.9 49.3 -68.4 -39.0 41.8 93.0 50.6 473 484 A L H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.966 108.9 51.8 -61.9 -51.7 38.6 92.5 48.6 474 485 A A H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 12,-0.4 0.886 109.6 52.1 -51.5 -42.3 36.8 95.0 50.9 475 486 A H H >< S+ 0 0 28 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.964 111.3 43.5 -59.5 -56.7 39.6 97.5 50.3 476 487 A F H 3< S+ 0 0 47 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.747 115.3 48.2 -66.2 -25.1 39.5 97.3 46.5 477 488 A M H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-1.9 0.459 82.7 95.4 -95.5 4.3 35.7 97.4 46.3 478 489 A A H < S- 0 0 18 -4,-2.1 3,-1.5 -7,-0.2 -2,-0.2 0.177 101.2-117.8-119.3 15.5 30.3 100.4 47.9 482 493 A N T 3< S- 0 0 139 -4,-1.1 -4,-0.2 1,-0.3 -3,-0.2 0.799 76.5 -50.6 53.1 35.4 31.9 103.2 49.9 483 494 A G T 3> S+ 0 0 17 -9,-0.2 4,-1.8 -6,-0.2 -1,-0.3 0.625 99.1 136.4 81.5 12.8 33.4 100.8 52.5 484 495 A E H X> S+ 0 0 115 -3,-1.5 4,-2.4 2,-0.2 3,-0.6 0.977 78.1 36.7 -56.3 -59.6 30.1 98.9 53.1 485 496 A Y H 3> S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.894 112.5 59.6 -61.6 -40.2 31.7 95.5 53.0 486 497 A A H 34 S+ 0 0 7 -12,-0.4 4,-0.5 1,-0.2 187,-0.3 0.827 111.3 42.4 -57.9 -31.0 34.8 96.8 54.8 487 498 A H H X< S+ 0 0 141 -4,-1.8 3,-0.6 -3,-0.6 -2,-0.2 0.887 114.9 47.8 -81.8 -43.0 32.6 97.8 57.6 488 499 A E H >< S+ 0 0 47 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.845 101.2 67.4 -65.6 -34.6 30.4 94.6 57.6 489 500 A I T 3< S+ 0 0 2 -4,-3.1 5,-0.4 1,-0.3 -1,-0.2 0.791 97.1 52.5 -59.4 -30.3 33.5 92.4 57.5 490 501 A L T < S+ 0 0 73 -3,-0.6 2,-1.1 -4,-0.5 -1,-0.3 0.172 79.3 103.3 -95.8 22.0 34.6 93.4 61.0 491 502 A N S < S- 0 0 108 -3,-1.8 -1,-0.1 1,-0.1 -3,-0.0 -0.738 104.2 -39.8-100.9 81.9 31.3 92.6 62.6 492 503 A G S S- 0 0 54 -2,-1.1 2,-0.4 4,-0.0 -1,-0.1 -0.100 108.8 -34.4 82.2 169.6 32.2 89.3 64.3 493 504 A D > - 0 0 61 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.477 54.3-149.1 -67.0 122.5 34.5 86.8 62.5 494 505 A I H > S+ 0 0 6 -5,-0.4 4,-2.4 -2,-0.4 5,-0.2 0.863 94.4 47.7 -59.0 -42.2 33.8 86.9 58.7 495 506 A H H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 113.2 47.9 -71.3 -34.6 34.6 83.2 58.1 496 507 A T H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 112.3 50.6 -70.6 -37.6 32.5 82.0 61.0 497 508 A K H X S+ 0 0 65 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.930 112.0 46.0 -65.3 -45.3 29.6 84.2 59.8 498 509 A N H X S+ 0 0 10 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.870 107.7 59.0 -64.0 -37.7 29.9 82.9 56.3 499 510 A Q H <>S+ 0 0 38 -4,-2.0 5,-3.1 2,-0.2 4,-0.2 0.952 109.3 43.3 -54.3 -53.7 30.0 79.3 57.7 500 511 A I H ><5S+ 0 0 122 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.966 117.2 43.5 -57.7 -60.3 26.7 79.7 59.4 501 512 A A H 3<5S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.930 118.0 45.4 -53.0 -49.3 24.9 81.5 56.5 502 513 A A T 3<5S- 0 0 0 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.510 109.6-132.4 -72.9 -3.7 26.4 79.0 54.0 503 514 A E T < 5 + 0 0 145 -3,-1.6 -3,-0.2 -4,-0.2 -4,-0.1 0.910 46.3 165.7 51.9 49.5 25.4 76.3 56.5 504 515 A L < - 0 0 17 -5,-3.1 -1,-0.2 -6,-0.2 6,-0.1 -0.679 42.9-127.7 -98.2 151.9 28.8 74.7 56.3 505 516 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.908 84.9 25.3 -61.7 -50.6 30.3 72.1 58.8 506 517 A T > - 0 0 74 1,-0.1 4,-1.3 -7,-0.0 5,-0.1 -0.841 69.2-124.8-122.4 159.1 33.6 73.7 59.7 507 518 A R H > S+ 0 0 84 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.817 115.5 53.8 -65.6 -31.8 35.1 77.2 59.8 508 519 A D H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.881 103.8 55.2 -69.9 -38.2 37.9 75.9 57.5 509 520 A N H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.825 104.0 55.0 -64.5 -30.5 35.4 74.7 55.0 510 521 A A H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.835 107.9 49.9 -71.4 -31.3 33.9 78.2 54.9 511 522 A K H X S+ 0 0 71 -4,-1.1 4,-2.6 -3,-0.3 5,-0.3 0.937 110.4 47.2 -71.4 -48.5 37.3 79.6 54.0 512 523 A T H X S+ 0 0 68 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.862 117.0 47.6 -61.4 -33.6 37.9 77.2 51.2 513 524 A F H X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.2 5,-0.3 0.975 111.4 46.5 -70.4 -57.2 34.4 77.9 50.0 514 525 A I H X S+ 0 0 8 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.897 118.2 42.5 -55.5 -43.0 34.5 81.7 50.2 515 526 A Y H X S+ 0 0 49 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.788 112.5 53.2 -76.7 -25.6 37.9 81.9 48.4 516 527 A G H <>S+ 0 0 17 -4,-1.2 5,-2.4 -5,-0.3 -2,-0.2 0.938 115.5 41.7 -70.0 -44.9 36.9 79.2 45.9 517 528 A F H ><5S+ 0 0 7 -4,-3.1 3,-1.6 1,-0.2 -2,-0.2 0.958 112.3 52.8 -63.9 -54.5 33.8 81.3 45.1 518 529 A L H 3<5S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.8 49.5 -52.6 -36.1 35.6 84.7 45.1 519 530 A Y T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 -0.055 127.0 -83.2-100.8 34.8 38.2 83.4 42.7 520 531 A G T < 5 + 0 0 51 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.631 61.0 167.5 85.0 15.8 36.0 81.9 39.9 521 532 A A < - 0 0 17 -5,-2.4 -1,-0.2 -6,-0.1 -5,-0.0 -0.373 36.3-118.7 -63.3 140.7 35.1 78.3 41.0 522 533 A G > - 0 0 39 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.229 28.1 -97.4 -75.0 169.7 32.3 76.9 38.8 523 534 A D H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 17,-0.1 0.895 125.7 45.6 -53.3 -42.4 28.9 75.8 40.1 524 535 A E H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 110.2 50.4 -68.6 -49.2 30.1 72.2 40.3 525 536 A K H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.904 109.0 53.8 -56.9 -41.4 33.5 72.9 41.9 526 537 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.923 107.8 51.5 -58.4 -43.1 31.6 74.9 44.6 527 538 A G H X>S+ 0 0 0 -4,-1.6 5,-2.3 -5,-0.2 4,-0.7 0.945 106.9 51.9 -58.6 -49.9 29.4 71.9 45.1 528 539 A Q H ><5S+ 0 0 93 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.902 108.0 52.7 -52.8 -46.3 32.4 69.6 45.6 529 540 A I H 3<5S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 116.6 38.0 -60.4 -36.0 33.9 72.0 48.2 530 541 A V H 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.362 118.1-110.8 -97.7 4.3 30.7 72.0 50.2 531 542 A G T <<5S+ 0 0 70 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.2 0.959 82.6 92.9 66.8 53.2 29.9 68.4 49.6 532 543 A A S - 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