==== 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 CONTRACTILE PROTEIN 17-JAN-08 3BZ7 . COMPND 2 MOLECULE: MYOSIN-2 HEAVY CHAIN, NON MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.S.ALLINGHAM,I.RAYMENT . 702 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 10.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 41 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 3 1 4 4 2 1 1 1 0 3 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 0 0 2 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 . 1 5 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A N >> 0 0 113 0, 0.0 4,-1.5 0, 0.0 3,-1.2 0.000 360.0 360.0 360.0 109.9 40.4 37.3 78.4 2 3 A P T 34 + 0 0 52 0, 0.0 6,-0.3 0, 0.0 9,-0.2 0.811 360.0 68.5 -56.4 -31.1 36.8 38.1 77.4 3 4 A I T 34 S+ 0 0 17 1,-0.2 138,-0.0 7,-0.1 148,-0.0 0.835 112.8 28.4 -56.7 -37.4 36.4 34.5 76.2 4 5 A H T <4 S+ 0 0 140 -3,-1.2 2,-0.7 1,-0.0 -1,-0.2 0.605 102.0 92.7-101.3 -17.2 36.6 33.1 79.7 5 6 A D >< - 0 0 71 -4,-1.5 3,-1.3 1,-0.1 6,-0.4 -0.725 60.4-160.6 -85.9 115.3 35.2 36.2 81.5 6 7 A R T 3 S+ 0 0 76 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.509 87.4 60.5 -80.6 -5.6 31.4 35.7 81.9 7 8 A T T 3 S+ 0 0 116 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.638 83.7 109.6 -88.4 -21.3 30.8 39.4 82.4 8 9 A S S <> S- 0 0 16 -3,-1.3 4,-2.3 -6,-0.3 5,-0.1 -0.030 79.8-119.8 -59.7 157.1 32.2 40.3 78.9 9 10 A D H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.854 115.9 60.5 -60.0 -36.3 30.1 41.5 76.0 10 11 A Y H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.933 108.7 42.2 -57.5 -45.8 31.4 38.5 74.1 11 12 A H H > S+ 0 0 48 -6,-0.4 4,-1.3 -9,-0.2 -2,-0.2 0.927 115.6 50.1 -67.0 -42.8 29.8 36.2 76.7 12 13 A K H < S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.828 124.5 25.1 -62.4 -39.7 26.6 38.3 76.9 13 14 A Y H < S+ 0 0 83 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.557 130.8 32.6-109.7 -13.3 26.0 38.5 73.1 14 15 A L H < S+ 0 0 6 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.462 104.5 72.2-121.7 -11.0 27.7 35.4 71.6 15 16 A K S < S- 0 0 52 -4,-1.3 2,-0.2 -5,-0.4 3,-0.1 -0.837 84.5-102.3-113.5 151.6 27.4 32.7 74.3 16 17 A V - 0 0 57 -2,-0.3 2,-0.1 70,-0.1 3,-0.1 -0.490 47.1-110.2 -68.3 132.5 24.4 30.6 75.6 17 18 A K - 0 0 119 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.381 38.1 -94.1 -64.4 143.4 23.2 32.1 78.9 18 19 A Q - 0 0 177 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.352 41.9-129.3 -58.0 125.9 23.8 30.0 82.1 19 20 A G - 0 0 35 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.332 22.5-122.7 -73.9 164.1 20.7 27.8 82.9 20 21 A D > - 0 0 101 1,-0.0 4,-2.7 -2,-0.0 3,-0.2 -0.444 30.5 -90.2-105.0-179.5 19.2 27.9 86.4 21 22 A S H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.816 126.5 54.7 -63.3 -33.4 18.6 25.1 89.0 22 23 A D H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 110.8 46.4 -62.6 -42.3 15.1 24.5 87.6 23 24 A L H > S+ 0 0 78 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.910 109.3 54.2 -67.0 -39.6 16.7 23.9 84.2 24 25 A F H X S+ 0 0 138 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.944 106.8 52.7 -56.7 -45.7 19.5 21.7 85.8 25 26 A K H X S+ 0 0 113 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.936 112.2 44.2 -54.2 -47.2 16.6 19.6 87.3 26 27 A L H >< S+ 0 0 115 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.876 109.8 57.8 -65.4 -34.7 15.1 19.2 83.9 27 28 A T H 3< S+ 0 0 51 -4,-2.7 56,-0.3 1,-0.2 -1,-0.2 0.812 109.0 42.8 -68.1 -30.9 18.6 18.5 82.3 28 29 A V H 3< S+ 0 0 85 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.430 87.5 127.6 -97.6 -3.2 19.3 15.5 84.5 29 30 A S << - 0 0 47 -3,-0.6 -3,-0.1 -4,-0.6 -4,-0.0 -0.173 59.3-141.2 -48.3 143.7 15.8 14.1 84.2 30 31 A D + 0 0 158 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.478 66.9 114.6 -85.4 -7.7 15.4 10.4 83.0 31 32 A K - 0 0 111 -5,-0.1 2,-0.3 1,-0.0 21,-0.1 -0.276 54.4-149.1 -65.9 150.9 12.4 11.3 80.8 32 33 A R - 0 0 97 19,-0.5 19,-2.9 49,-0.1 2,-0.3 -0.947 11.3-158.0-125.2 149.1 12.6 11.0 77.1 33 34 A Y E -A 50 0A 67 46,-0.4 46,-2.7 -2,-0.3 2,-0.3 -0.851 8.6-156.8-132.7 158.4 10.9 13.0 74.4 34 35 A I E -AB 49 78A 3 15,-2.4 15,-2.6 44,-0.3 2,-0.6 -0.956 21.0-127.8-131.7 147.7 9.8 13.0 70.8 35 36 A W E +AB 48 77A 11 42,-3.3 42,-0.5 -2,-0.3 2,-0.3 -0.897 41.3 172.1 -93.1 122.5 9.0 15.7 68.2 36 37 A Y E -A 47 0A 13 11,-2.6 11,-2.8 -2,-0.6 3,-0.1 -0.921 35.6-116.3-131.4 158.8 5.6 14.9 66.7 37 38 A N - 0 0 30 -2,-0.3 9,-0.2 9,-0.2 6,-0.1 -0.829 12.0-161.5 -91.8 109.5 3.0 16.6 64.3 38 39 A P S S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.906 92.8 39.5 -53.6 -36.7 -0.3 17.5 66.0 39 40 A D S > S- 0 0 58 6,-0.4 3,-2.2 3,-0.3 6,-0.2 -0.940 74.4-156.6-117.9 109.4 -1.6 17.7 62.5 40 41 A P T 3 S+ 0 0 98 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.635 96.5 61.3 -59.0 -16.2 -0.3 15.1 60.0 41 42 A K T 3 S+ 0 0 187 1,-0.2 2,-0.9 2,-0.0 3,-0.1 0.771 99.6 58.4 -73.2 -29.4 -1.2 17.5 57.2 42 43 A E X + 0 0 115 -3,-2.2 3,-1.5 1,-0.2 -3,-0.3 -0.726 64.5 173.0-108.2 83.7 1.2 20.0 58.7 43 44 A R T 3 S+ 0 0 90 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.0 0.627 75.3 52.9 -74.1 -13.6 4.6 18.2 58.7 44 45 A D T 3 S+ 0 0 15 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.454 87.5 86.2-100.9 -1.9 6.6 21.2 59.8 45 46 A S < + 0 0 35 -3,-1.5 -6,-0.4 -6,-0.2 2,-0.3 -0.877 63.6 178.5-104.8 108.5 4.5 22.1 62.8 46 47 A Y - 0 0 34 -2,-0.8 2,-0.3 -9,-0.2 -9,-0.2 -0.833 18.4-170.6-113.5 148.7 5.9 20.1 65.7 47 48 A E E -A 36 0A 92 -11,-2.8 -11,-2.6 -2,-0.3 2,-0.5 -0.869 30.8-108.6-122.6 167.7 5.2 19.8 69.4 48 49 A C E -A 35 0A 35 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.842 34.3-175.3 -97.1 124.8 7.1 17.9 72.1 49 50 A G E -A 34 0A 1 -15,-2.6 -15,-2.4 -2,-0.5 2,-0.4 -0.961 25.8-118.9-118.6 140.4 5.6 14.7 73.6 50 51 A E E -A 33 0A 48 -2,-0.4 12,-2.1 12,-0.3 2,-0.6 -0.600 24.3-126.6 -73.6 127.9 6.9 12.6 76.5 51 52 A I E +C 61 0B 16 -19,-2.9 -19,-0.5 -2,-0.4 10,-0.3 -0.652 33.9 173.7 -71.0 115.5 7.8 9.0 75.5 52 53 A V E - 0 0 65 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.686 59.1 -3.1 -99.5 -24.8 5.8 7.0 78.1 53 54 A S E -C 60 0B 62 7,-1.8 7,-2.7 2,-0.0 2,-0.3 -0.979 57.5-156.9-157.3 168.4 6.4 3.4 76.8 54 55 A E E -C 59 0B 98 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.987 5.3-163.4-148.3 154.3 8.1 1.4 74.1 55 56 A T - 0 0 66 3,-1.9 3,-0.2 -2,-0.3 5,-0.0 -0.609 55.3 -82.7-113.7-176.1 7.9 -2.0 72.4 56 57 A S S S+ 0 0 118 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.788 128.9 20.3 -58.9 -27.7 10.7 -3.5 70.2 57 58 A D S S+ 0 0 91 16,-0.1 16,-2.4 15,-0.0 17,-0.5 0.423 120.0 51.9-125.3 0.9 9.5 -1.5 67.2 58 59 A S E - D 0 72B 2 14,-0.3 -3,-1.9 -3,-0.2 2,-0.4 -0.908 54.8-145.4-141.2 159.7 7.4 1.4 68.5 59 60 A F E -CD 54 71B 5 12,-2.5 12,-1.9 -2,-0.3 2,-0.4 -0.982 11.2-154.1-120.7 143.3 7.2 4.4 71.0 60 61 A T E +CD 53 70B 25 -7,-2.7 -8,-2.4 -2,-0.4 -7,-1.8 -0.972 23.9 174.7-112.9 133.6 4.0 5.5 72.8 61 62 A F E -CD 51 69B 7 8,-2.7 8,-2.4 -2,-0.4 2,-0.3 -0.952 31.5-112.1-139.7 154.2 4.0 9.2 73.8 62 63 A K E - D 0 68B 51 -12,-2.1 -12,-0.3 -2,-0.3 6,-0.2 -0.669 30.7-137.5 -83.8 140.7 1.7 11.8 75.3 63 64 A T - 0 0 10 4,-3.4 -13,-0.1 -2,-0.3 -14,-0.1 -0.482 28.7-103.2 -89.0 167.0 0.5 14.6 73.1 64 65 A V 0 0 97 -2,-0.2 -1,-0.1 -15,-0.0 -2,-0.0 0.883 360.0 360.0 -57.6 -39.3 0.3 18.3 74.3 65 66 A D 0 0 126 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.554 360.0 360.0 -79.7 360.0 -3.5 17.9 74.7 66 ! 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 67 68 A Q 0 0 89 0, 0.0 -4,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.1 -3.9 12.0 74.6 68 69 A D E -D 62 0B 93 -6,-0.2 2,-0.3 -8,-0.0 -6,-0.2 -0.792 360.0-178.6-103.6 145.9 -1.5 9.1 73.6 69 70 A R E -D 61 0B 90 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.3 -0.962 15.4-141.2-135.4 155.6 -0.1 8.2 70.2 70 71 A Q E +D 60 0B 131 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.817 17.7 179.5-115.1 154.2 2.1 5.4 68.9 71 72 A V E -D 59 0B 35 -12,-1.9 -12,-2.5 -2,-0.3 2,-0.1 -0.975 34.5-105.2-151.9 139.1 4.9 5.7 66.2 72 73 A K E > -D 58 0B 93 -2,-0.3 3,-1.6 -14,-0.2 4,-0.5 -0.460 29.2-127.5 -60.8 138.8 7.3 3.2 64.7 73 74 A K G > S+ 0 0 58 -16,-2.4 3,-0.8 1,-0.3 5,-0.1 0.820 111.4 60.3 -56.3 -33.1 10.8 3.8 66.0 74 75 A D G 3 S+ 0 0 159 -17,-0.5 -1,-0.3 1,-0.2 -16,-0.1 0.720 110.0 40.7 -68.6 -21.3 11.9 3.9 62.4 75 76 A D G < S+ 0 0 110 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 0.371 92.7 118.5-103.1 0.2 9.6 6.9 61.8 76 77 A A < - 0 0 21 -3,-0.8 2,-0.8 -4,-0.5 -40,-0.1 -0.503 50.8-157.8 -81.4 132.2 10.4 8.6 65.2 77 78 A N E -B 35 0A 46 -42,-0.5 -42,-3.3 -2,-0.3 -1,-0.1 -0.797 25.3-158.1 -98.2 87.1 12.0 12.1 65.4 78 79 A Q E -B 34 0A 35 -2,-0.8 2,-0.4 -44,-0.2 -44,-0.3 -0.332 14.5-120.4 -69.2 146.2 13.4 11.8 69.0 79 80 A R - 0 0 51 -46,-2.7 -46,-0.4 1,-0.1 -1,-0.1 -0.713 30.6-114.4 -81.5 133.6 14.2 15.0 70.9 80 81 A N - 0 0 8 -2,-0.4 5,-0.1 15,-0.2 -1,-0.1 -0.352 40.9 -87.3 -61.1 145.7 17.8 15.4 71.9 81 82 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.298 46.1-116.7 -46.4 140.0 18.7 15.4 75.6 82 83 A I G > S+ 0 0 38 1,-0.3 3,-1.7 -56,-0.2 -55,-0.1 0.656 108.3 79.2 -70.6 -13.1 18.2 19.1 76.6 83 84 A K G 3 S+ 0 0 157 -56,-0.3 -1,-0.3 1,-0.3 -56,-0.0 0.718 91.2 58.2 -58.0 -22.8 21.9 19.5 77.5 84 85 A F G X S+ 0 0 32 -3,-2.2 3,-2.2 2,-0.1 2,-0.5 0.511 77.0 114.8 -81.2 -10.5 22.3 19.8 73.6 85 86 A D T < S+ 0 0 39 -3,-1.7 19,-0.1 1,-0.3 20,-0.0 -0.526 85.4 16.1 -69.3 119.4 19.9 22.8 73.4 86 87 A G T 3 S+ 0 0 5 -2,-0.5 -1,-0.3 1,-0.2 -70,-0.1 0.447 86.8 167.1 95.0 3.3 21.9 25.8 72.2 87 88 A V < - 0 0 21 -3,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.220 35.0-140.7 -56.5 138.0 24.9 23.7 71.0 88 89 A E S S+ 0 0 52 1,-0.2 29,-3.2 28,-0.1 2,-0.4 0.758 90.8 35.6 -73.0 -29.4 27.4 25.7 68.9 89 90 A D B > -e 117 0C 24 27,-0.2 3,-1.6 29,-0.1 -1,-0.2 -0.972 69.0-159.3-128.8 113.5 28.0 22.9 66.3 90 91 A M G > S+ 0 0 0 27,-2.5 3,-1.7 -2,-0.4 28,-0.1 0.579 82.3 83.1 -75.6 -7.4 25.1 20.6 65.5 91 92 A S G 3 S+ 0 0 26 1,-0.3 -1,-0.3 26,-0.1 27,-0.1 0.695 85.9 66.0 -63.0 -12.5 27.2 17.8 64.2 92 93 A E G < S+ 0 0 117 -3,-1.6 -1,-0.3 -8,-0.1 -2,-0.2 0.646 74.9 113.7 -81.9 -15.0 27.4 17.1 68.0 93 94 A L < - 0 0 3 -3,-1.7 3,-0.2 1,-0.1 8,-0.0 -0.231 61.7-145.9 -58.4 140.2 23.6 16.3 68.3 94 95 A S S S+ 0 0 63 1,-0.2 2,-0.7 -13,-0.1 -1,-0.1 0.918 92.8 43.6 -68.7 -41.2 22.8 12.6 69.2 95 96 A Y S S- 0 0 74 2,-0.1 2,-1.1 -18,-0.0 -1,-0.2 -0.899 71.0-166.1-111.0 108.4 19.7 12.8 67.0 96 97 A L + 0 0 20 -2,-0.7 2,-0.3 -3,-0.2 -18,-0.0 -0.752 38.3 127.0 -92.4 90.2 20.0 14.4 63.6 97 98 A N > - 0 0 17 -2,-1.1 4,-2.6 -19,-0.1 5,-0.2 -0.885 68.4 -97.2-133.2 174.1 16.5 15.1 62.4 98 99 A E H > S+ 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.934 118.6 42.0 -58.8 -55.9 14.5 18.0 61.1 99 100 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.875 115.6 52.4 -65.2 -30.4 12.7 19.2 64.2 100 101 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 111.2 45.7 -66.7 -45.6 15.8 18.7 66.3 101 102 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.958 116.2 46.7 -62.8 -46.9 18.0 20.8 64.0 102 103 A F H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.897 109.5 54.5 -61.4 -40.8 15.3 23.4 63.9 103 104 A H H X S+ 0 0 14 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.925 107.3 49.5 -60.9 -43.1 14.9 23.3 67.6 104 105 A N H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 112.1 47.5 -62.5 -44.6 18.6 24.0 68.2 105 106 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.901 111.9 53.0 -60.4 -38.7 18.5 26.9 65.8 106 107 A R H X S+ 0 0 74 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.911 106.9 49.9 -62.9 -38.8 15.4 28.1 67.6 107 108 A V H X S+ 0 0 29 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.933 115.4 44.0 -64.0 -44.4 17.0 28.0 71.1 108 109 A R H ><>S+ 0 0 4 -4,-2.1 5,-2.9 -5,-0.2 3,-1.4 0.950 113.0 50.4 -66.2 -48.0 19.9 30.0 69.8 109 110 A Y H ><5S+ 0 0 7 -4,-2.9 3,-2.6 1,-0.3 -2,-0.2 0.877 102.0 61.7 -57.3 -44.0 17.8 32.5 67.9 110 111 A N H 3<5S+ 0 0 116 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.697 109.2 43.7 -51.5 -26.2 15.5 33.1 71.0 111 112 A Q T <<5S- 0 0 74 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.078 124.0-105.8-105.4 17.5 18.7 34.4 72.7 112 113 A D T < 5S+ 0 0 56 -3,-2.6 2,-1.0 1,-0.2 -3,-0.2 0.771 74.4 143.0 62.6 28.0 19.8 36.4 69.6 113 114 A L 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143 144 A K T 3< S- 0 0 76 -4,-1.4 13,-0.1 1,-0.3 -3,-0.0 -0.173 92.6 -7.0 -53.9 118.1 41.7 37.7 65.4 144 145 A G T 3 S+ 0 0 39 1,-0.2 2,-0.3 12,-0.0 -1,-0.3 0.403 97.2 137.9 81.6 -2.4 43.8 34.5 65.1 145 146 A R < - 0 0 59 -3,-2.5 -1,-0.2 1,-0.1 5,-0.1 -0.597 53.9-122.1 -87.5 137.4 41.5 32.2 66.9 146 147 A R >> - 0 0 91 -2,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.353 31.9-108.5 -65.0 154.3 40.8 28.6 65.7 147 148 A R G >4 S+ 0 0 59 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.872 119.4 49.7 -54.5 -42.1 37.1 27.9 64.9 148 149 A N G 34 S+ 0 0 146 1,-0.2 -1,-0.3 4,-0.0 -2,-0.0 0.513 101.6 64.8 -76.6 -9.0 36.8 25.6 68.0 149 150 A E G <4 S+ 0 0 77 -3,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.581 107.1 36.0 -84.1 -16.4 38.4 28.3 70.3 150 151 A V S << S- 0 0 5 -3,-1.0 3,-0.1 -4,-0.5 -8,-0.0 -0.888 91.1 -85.3-141.9 163.7 35.5 30.8 69.9 151 152 A A - 0 0 0 -2,-0.3 5,-0.2 1,-0.2 -136,-0.1 -0.177 62.1 -79.2 -68.0 157.9 31.7 31.1 69.5 152 153 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -37,-0.3 -0.404 68.8 146.0 -60.0 136.9 30.1 30.8 66.0 153 154 A H >> - 0 0 0 -3,-0.1 4,-1.3 1,-0.1 3,-0.5 -0.937 62.3-116.9-166.9 148.3 30.5 34.0 64.0 154 155 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.813 117.4 61.5 -55.8 -33.7 30.9 35.2 60.5 155 156 A F H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 99.7 53.8 -61.4 -37.3 34.2 36.7 61.8 156 157 A A H <> S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.893 109.4 45.2 -68.5 -41.0 35.5 33.2 62.7 157 158 A I H X S+ 0 0 14 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.893 112.4 53.3 -68.8 -34.8 34.9 31.8 59.2 158 159 A S H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.918 110.8 46.4 -61.7 -44.6 36.5 34.9 57.8 159 160 A D H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.924 109.5 54.5 -66.2 -41.5 39.6 34.3 60.0 160 161 A V H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 110.0 46.5 -56.7 -45.5 39.7 30.6 59.1 161 162 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.878 110.8 53.3 -64.4 -39.0 39.8 31.5 55.4 162 163 A Y H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.922 111.4 43.9 -64.4 -44.9 42.5 34.1 56.1 163 164 A R H X S+ 0 0 73 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.861 112.9 53.1 -69.2 -36.5 44.8 31.6 57.9 164 165 A S H X S+ 0 0 26 -4,-2.2 4,-2.5 -5,-0.3 6,-0.5 0.899 107.0 52.3 -62.6 -43.0 44.2 29.0 55.3 165 166 A M H X>S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 5,-0.5 0.922 116.7 39.1 -56.5 -48.3 45.2 31.5 52.6 166 167 A L H <5S+ 0 0 50 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.972 120.7 42.6 -65.9 -54.5 48.5 32.2 54.5 167 168 A D H <5S+ 0 0 127 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.820 126.3 31.7 -64.6 -35.5 49.3 28.6 55.6 168 169 A D H <5S- 0 0 101 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.504 94.0-134.1-102.7 -5.7 48.4 26.9 52.3 169 170 A R T <5 + 0 0 101 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.882 64.5 129.9 50.0 45.0 49.3 29.8 49.9 170 171 A Q < - 0 0 62 -5,-0.5 -1,-0.2 -6,-0.5 -2,-0.2 -0.967 64.6-109.4-132.6 136.7 46.0 29.1 48.1 171 172 A N - 0 0 39 469,-0.4 471,-2.1 -2,-0.4 2,-0.3 -0.384 37.4-153.9 -63.1 145.3 43.2 31.6 47.1 172 173 A Q E -hi 443 642C 0 270,-2.0 272,-2.4 469,-0.3 2,-0.3 -0.818 8.6-158.0-118.1 158.1 40.0 31.3 49.2 173 174 A S 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-94.8 -74.1 -23.7 18.1 36.1 54.1 183 184 A G S > S+ 0 0 11 -4,-0.2 4,-2.3 465,-0.2 5,-0.2 0.542 78.6 133.2 121.0 16.5 21.2 38.2 55.0 184 185 A K H > S+ 0 0 10 -5,-0.3 4,-2.5 2,-0.2 5,-0.1 0.924 78.7 44.8 -57.8 -48.6 23.8 37.6 52.3 185 186 A T H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 113.0 50.2 -68.4 -42.2 24.7 41.3 51.8 186 187 A E H > S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.922 114.4 44.4 -61.8 -44.6 24.9 42.1 55.5 187 188 A N H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.879 109.3 56.6 -67.8 -38.4 27.2 39.1 56.1 188 189 A T H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.927 106.2 51.2 -52.1 -49.9 29.3 40.0 53.0 189 190 A K H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.849 108.6 52.1 -57.2 -38.7 29.9 43.4 54.5 190 191 A K H X S+ 0 0 44 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.852 106.9 51.5 -66.9 -38.6 31.0 41.8 57.8 191 192 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 112.7 45.9 -61.2 -46.7 33.5 39.6 56.1 192 193 A I H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.904 112.4 51.6 -63.6 -45.0 35.0 42.6 54.3 193 194 A Q H X S+ 0 0 51 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.940 113.0 45.5 -50.3 -51.2 35.0 44.6 57.6 194 195 A Y H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.920 113.8 46.7 -64.6 -48.5 36.8 41.8 59.3 195 196 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.892 111.4 51.4 -63.8 -41.8 39.4 41.2 56.6 196 197 A A H < S+ 0 0 8 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.819 115.1 44.4 -65.4 -34.7 40.2 44.9 56.2 197 198 A S H >< S+ 0 0 46 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.962 116.6 41.1 -72.9 -57.2 40.7 45.2 60.0 198 199 A V H 3< S+ 0 0 27 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.715 128.6 31.1 -70.3 -20.5 42.8 42.1 60.6 199 200 A A T 3< S+ 0 0 1 -4,-1.9 47,-2.6 -5,-0.3 -1,-0.2 0.249 95.9 120.7-117.5 11.0 45.0 42.5 57.5 200 201 A G < 0 0 26 -3,-0.9 -3,-0.1 -4,-0.3 47,-0.0 -0.228 360.0 360.0 -81.2 163.7 45.0 46.3 57.2 201 202 A R 0 0 190 45,-0.1 4,-0.2 -5,-0.1 3,-0.1 -0.946 360.0 360.0-118.4 360.0 47.9 48.9 57.2 202 ! 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 0.0 203 210 A V > 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.9 42.8 55.2 53.1 204 211 A L H > + 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 360.0 49.3 -51.8 -50.2 42.7 52.1 50.8 205 212 A E H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 110.5 49.8 -55.2 -43.8 40.8 50.2 53.5 206 213 A Q H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 110.6 50.7 -66.7 -34.0 38.3 53.1 54.0 207 214 A Q H X S+ 0 0 30 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.878 105.5 55.2 -71.3 -39.3 37.8 53.2 50.3 208 215 A I H >< S+ 0 0 12 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.935 113.4 43.2 -57.0 -44.6 37.1 49.4 50.1 209 216 A L H >< S+ 0 0 53 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.889 109.9 55.3 -69.2 -40.1 34.4 50.0 52.7 210 217 A Q H 3X S+ 0 0 42 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.570 89.0 77.4 -74.4 -10.4 33.0 53.1 51.1 211 218 A A H S+ 0 0 25 -3,-1.3 4,-2.9 -4,-0.4 5,-0.3 0.915 94.7 48.3 -69.4 -48.4 29.4 49.7 49.4 213 220 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.826 113.9 52.0 -59.0 -29.8 27.0 52.7 49.9 214 221 A I H X S+ 0 0 0 -4,-0.7 4,-1.6 2,-0.2 5,-0.2 0.970 112.2 43.0 -70.2 -50.5 27.8 53.7 46.3 215 222 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.899 116.3 49.2 -61.7 -40.9 26.9 50.2 44.9 216 223 A E H X S+ 0 0 24 -4,-2.9 4,-1.8 2,-0.2 56,-0.4 0.863 106.1 55.4 -66.2 -38.7 23.8 49.9 47.1 217 224 A A H < S+ 0 0 2 -4,-1.9 56,-2.7 -5,-0.3 57,-0.2 0.910 122.2 28.2 -59.9 -40.0 22.4 53.3 46.2 218 225 A F H < S+ 0 0 0 -4,-1.6 -2,-0.2 54,-0.2 -1,-0.2 0.696 130.8 35.8 -95.0 -20.9 22.5 52.5 42.5 219 226 A G H < S+ 0 0 0 -4,-2.3 12,-3.0 -5,-0.2 2,-0.3 0.448 103.0 73.3-117.9 -3.6 22.1 48.7 42.6 220 227 A N E < +M 230 0E 0 -4,-1.8 52,-1.9 10,-0.2 2,-0.3 -0.843 51.6 165.0-113.0 153.0 19.7 48.0 45.5 221 228 A A E -MN 229 271E 0 8,-2.1 8,-1.4 -2,-0.3 2,-0.5 -0.988 42.5 -87.1-157.3 157.0 15.9 48.6 45.8 222 229 A K + 0 0 37 48,-0.6 47,-2.3 -2,-0.3 5,-0.3 -0.550 47.0 172.3 -66.8 116.2 12.8 47.8 47.9 223 230 A T - 0 0 0 3,-2.6 3,-0.2 -2,-0.5 6,-0.1 -0.676 51.3 -98.8-107.3 178.6 11.2 44.6 46.7 224 231 A T S S+ 0 0 67 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.673 125.2 45.3 -68.6 -14.3 8.3 42.8 48.4 225 232 A R S S+ 0 0 68 1,-0.3 2,-0.3 429,-0.0 -1,-0.2 0.669 124.1 16.6-101.4 -20.2 10.9 40.4 49.9 226 233 A N > - 0 0 36 -3,-0.2 -3,-2.6 -5,-0.1 3,-1.2 -0.899 53.5-148.2-159.5 123.8 13.6 42.9 51.0 227 234 A N T 3 S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.663 108.8 35.8 -65.0 -19.0 13.6 46.6 51.7 228 235 A N T 3 S+ 0 0 39 -6,-0.1 -1,-0.3 -3,-0.1 -6,-0.2 -0.272 85.2 170.5-128.5 48.1 17.3 46.6 50.6 229 236 A S E < -M 221 0E 4 -8,-1.4 -8,-2.1 -3,-1.2 2,-0.5 -0.395 34.2-128.6 -64.7 129.1 17.3 43.9 47.8 230 237 A S E -M 220 0E 9 -10,-0.2 -10,-0.2 -2,-0.2 220,-0.1 -0.689 19.7-170.2 -71.7 119.2 20.5 43.6 45.7 231 238 A R S S+ 0 0 4 -12,-3.0 26,-2.3 -2,-0.5 2,-0.3 0.227 72.2 44.8-101.5 16.1 19.4 43.8 42.1 232 239 A F S S- 0 0 2 24,-0.2 2,-0.3 -13,-0.2 24,-0.2 -0.964 81.0-129.0-147.8 149.4 22.8 42.8 40.8 233 240 A G - 0 0 8 22,-0.4 21,-2.7 -2,-0.3 2,-0.3 -0.671 25.9-168.3 -94.5 157.5 25.2 40.1 42.0 234 241 A K E -JK 253 447C 1 213,-1.8 213,-2.8 -2,-0.3 2,-0.5 -0.995 22.0-153.8-143.7 154.6 28.9 40.7 42.9 235 242 A F E -JK 252 446C 5 17,-2.4 17,-2.6 -2,-0.3 2,-0.6 -0.992 20.7-158.1-123.2 117.5 32.1 38.8 43.6 236 243 A I E -JK 251 445C 10 209,-3.1 209,-2.6 -2,-0.5 2,-0.7 -0.886 0.9-157.5-101.8 118.9 34.5 40.9 45.7 237 244 A E E -JK 250 444C 35 13,-3.3 13,-1.9 -2,-0.6 2,-0.6 -0.843 1.5-160.9 -93.3 114.4 38.2 40.0 45.6 238 245 A I E -JK 249 443C 1 205,-3.0 205,-2.1 -2,-0.7 2,-0.3 -0.883 20.6-148.7 -88.0 122.2 40.0 41.2 48.7 239 246 A Q E -JK 248 442C 22 9,-2.3 8,-2.5 -2,-0.6 9,-1.3 -0.742 15.2-170.2-103.0 142.0 43.6 41.1 47.5 240 247 A F E -JK 246 441C 0 201,-2.8 200,-2.2 -2,-0.3 201,-2.2 -0.967 17.7-129.5-129.6 142.9 46.6 40.4 49.8 241 248 A N > - 0 0 37 4,-2.6 3,-1.8 -2,-0.3 198,-0.1 -0.226 47.1 -86.5 -76.5-179.1 50.4 40.7 49.2 242 249 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 2,-0.1 -73,-0.1 0.754 129.1 57.7 -60.5 -27.7 52.8 37.8 50.1 243 250 A A T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 -77,-0.0 0.562 118.9-109.4 -82.4 -8.7 53.0 39.0 53.7 244 251 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.581 73.7 133.2 91.9 8.5 49.2 38.8 54.1 245 252 A F - 0 0 78 1,-0.1 -4,-2.6 2,-0.0 -1,-0.3 -0.719 67.6 -98.3 -86.6 147.0 48.4 42.5 54.3 246 253 A I E +J 240 0C 5 -47,-2.6 -6,-0.3 -2,-0.3 -45,-0.1 -0.435 43.3 172.1 -61.0 129.0 45.6 43.9 52.2 247 254 A S E - 0 0 12 -8,-2.5 2,-0.3 1,-0.3 -7,-0.2 0.426 57.8 -47.6-122.3 -8.8 47.0 45.4 49.0 248 255 A G E -J 239 0C 0 -9,-1.3 -9,-2.3 188,-0.1 -1,-0.3 -0.991 49.1-119.0 169.4-164.1 43.8 46.1 47.1 249 256 A A E -J 238 0C 3 185,-1.5 2,-0.3 -2,-0.3 -11,-0.2 -0.965 8.0-157.1-165.3 154.7 40.4 44.9 46.0 250 257 A S E -J 237 0C 40 -13,-1.9 -13,-3.3 -2,-0.3 2,-0.6 -0.998 8.5-151.4-141.2 135.3 38.4 44.2 42.8 251 258 A I E -J 236 0C 8 -2,-0.3 2,-0.7 -15,-0.2 -15,-0.2 -0.949 3.6-164.9-111.0 115.1 34.6 44.1 42.4 252 259 A Q E -J 235 0C 94 -17,-2.6 -17,-2.4 -2,-0.6 2,-0.3 -0.912 15.0-164.6 -90.5 117.3 33.1 42.0 39.6 253 260 A S E -J 234 0C 9 -2,-0.7 -19,-0.2 -19,-0.2 2,-0.2 -0.789 3.3-150.2-100.2 149.6 29.5 43.0 39.2 254 261 A Y - 0 0 34 -21,-2.7 373,-0.1 -2,-0.3 -1,-0.0 -0.512 46.1 -42.3-111.3 179.0 27.1 40.9 37.3 255 262 A L - 0 0 59 -2,-0.2 -22,-0.4 -23,-0.1 2,-0.3 -0.102 59.6-138.7 -51.1 132.8 24.0 41.8 35.2 256 263 A L - 0 0 25 -24,-0.2 2,-2.4 -3,-0.1 -24,-0.2 -0.686 20.7-112.9 -91.9 142.4 21.9 44.5 36.8 257 264 A E > + 0 0 14 -26,-2.3 3,-1.6 -2,-0.3 4,-0.3 -0.436 46.2 169.7 -69.5 72.5 18.0 44.3 36.8 258 265 A K G > + 0 0 47 -2,-2.4 3,-1.4 1,-0.3 4,-0.5 0.749 63.7 73.5 -58.8 -30.1 17.8 47.4 34.4 259 266 A S G >> S+ 0 0 20 1,-0.2 4,-1.3 -3,-0.2 3,-1.0 0.790 81.6 70.8 -59.0 -25.9 14.0 46.9 33.9 260 267 A R G <4 S+ 0 0 10 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 85.7 68.8 -61.2 -28.1 13.3 48.2 37.5 261 268 A V G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.882 112.3 28.6 -55.9 -39.2 14.3 51.7 36.3 262 269 A V T <4 S+ 0 0 18 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.2 0.614 128.3 28.7-103.6 -12.1 11.2 51.9 34.1 263 270 A F < - 0 0 123 -4,-1.3 2,-0.4 36,-0.0 -1,-0.2 -0.992 53.9-179.6-151.7 137.5 8.7 49.7 36.0 264 271 A Q - 0 0 6 -2,-0.3 3,-0.1 -3,-0.1 6,-0.1 -0.996 27.4-122.5-139.0 136.2 8.0 48.5 39.6 265 272 A S > - 0 0 47 -2,-0.4 3,-2.0 1,-0.2 38,-0.1 -0.255 56.3 -62.8 -63.2 158.9 5.4 46.2 40.9 266 273 A E T 3 S+ 0 0 156 1,-0.3 38,-0.2 38,-0.1 -1,-0.2 -0.175 122.5 8.9 -49.3 135.2 2.9 47.5 43.6 267 274 A T T 3 S+ 0 0 63 36,-2.7 -1,-0.3 1,-0.3 37,-0.1 0.122 105.1 111.0 75.8 -11.2 4.6 48.4 46.9 268 275 A E < - 0 0 6 -3,-2.0 37,-0.5 35,-0.1 2,-0.3 -0.302 58.0-136.6 -81.9 170.4 8.1 48.2 45.5 269 276 A R - 0 0 0 -47,-2.3 -4,-0.1 -3,-0.1 3,-0.1 -0.868 12.9-118.0-117.6 159.9 10.6 51.0 44.8 270 277 A N S S- 0 0 0 -2,-0.3 -48,-0.6 1,-0.2 -9,-0.1 -0.105 71.7 -45.1 -66.4-177.3 12.9 51.9 42.0 271 278 A Y B >> -N 221 0E 0 -50,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.278 58.9-117.8 -57.8 145.5 16.6 52.1 42.8 272 279 A H H >> S+ 0 0 16 -52,-1.9 4,-2.4 -56,-0.4 3,-0.9 0.845 106.7 71.1 -57.1 -40.4 17.3 54.0 46.1 273 280 A I H 3> S+ 0 0 0 -56,-2.7 4,-2.7 1,-0.3 -1,-0.3 0.789 91.3 58.7 -48.5 -38.7 19.4 56.7 44.4 274 281 A F H <> S+ 0 0 0 -3,-1.1 4,-1.9 -57,-0.2 -1,-0.3 0.929 111.9 39.3 -56.9 -46.7 16.3 58.2 42.8 275 282 A Y H - 0 0 90 1,-0.1 4,-2.3 2,-0.1 3,-0.2 -0.064 39.7 -97.0 -63.8 168.4 20.2 71.3 47.6 283 290 A A H > S+ 0 0 66 1,-0.3 4,-0.6 2,-0.2 -1,-0.1 0.901 125.1 27.3 -57.3 -46.3 17.6 74.0 46.9 284 291 A E H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.317 106.9 73.2-106.7 1.1 19.0 74.9 43.6 285 292 A E H > S+ 0 0 18 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.901 105.0 44.1 -60.4 -50.4 20.4 71.5 42.9 286 293 A K H <>S+ 0 0 49 -4,-2.3 5,-2.9 2,-0.2 -2,-0.2 0.814 115.3 47.0 -64.4 -34.0 16.7 70.8 42.5 287 294 A K H ><5S+ 0 0 91 -4,-0.6 3,-1.0 3,-0.2 -1,-0.2 0.924 111.9 49.8 -70.6 -47.0 16.3 74.0 40.4 288 295 A A H 3<5S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.790 118.5 39.1 -60.7 -31.5 19.3 73.3 38.2 289 296 A L T 3<5S- 0 0 4 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.367 107.6-123.4-101.8 2.6 18.1 69.7 37.6 290 297 A H T < 5 + 0 0 105 -3,-1.0 2,-0.2 -4,-0.2 -3,-0.2 0.846 54.5 164.3 56.6 41.3 14.4 70.7 37.2 291 298 A L < + 0 0 18 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.600 17.6 166.7 -90.9 150.2 13.5 68.2 40.0 292 299 A A - 0 0 44 -2,-0.2 -1,-0.0 1,-0.2 5,-0.0 -0.423 50.5 -50.9-128.4-150.3 10.2 68.0 42.0 293 300 A G > - 0 0 29 -2,-0.2 3,-2.0 1,-0.1 -1,-0.2 -0.406 54.6-102.1 -87.1 168.8 9.0 65.2 44.3 294 301 A P G > S+ 0 0 32 0, 0.0 3,-2.1 0, 0.0 6,-0.3 0.832 117.3 68.7 -61.8 -27.8 8.8 61.5 43.4 295 302 A E G 3 S+ 0 0 74 1,-0.3 6,-0.1 6,-0.1 5,-0.0 0.728 93.0 60.1 -60.7 -22.6 5.0 61.8 42.8 296 303 A S G < S+ 0 0 65 -3,-2.0 2,-0.5 4,-0.1 -1,-0.3 0.456 93.1 79.2 -84.0 -6.8 5.8 64.0 39.8 297 304 A F X> - 0 0 5 -3,-2.1 3,-2.2 -4,-0.2 4,-1.2 -0.931 67.0-148.2-116.4 124.8 7.8 61.2 37.9 298 305 A N T 34 S+ 0 0 73 -2,-0.5 3,-0.4 1,-0.3 4,-0.3 0.839 101.3 57.9 -51.0 -36.2 6.3 58.3 36.0 299 306 A Y T 34 S+ 0 0 7 46,-0.3 -1,-0.3 1,-0.2 -29,-0.1 0.524 119.3 28.6 -77.3 -5.0 9.3 56.2 37.0 300 307 A L T <4 S+ 0 0 0 -3,-2.2 -1,-0.2 -6,-0.3 -2,-0.2 0.331 111.4 63.9-130.7 -2.1 8.6 56.7 40.8 301 308 A N S < S+ 0 0 68 -4,-1.2 -2,-0.1 -3,-0.4 -3,-0.1 0.231 83.6 73.9-115.6 15.5 4.9 57.2 41.0 302 309 A Q S S+ 0 0 79 -4,-0.3 -1,-0.1 -5,-0.1 -3,-0.1 0.810 87.7 54.0 -98.5 -34.2 3.5 53.9 39.8 303 310 A S S S- 0 0 4 2,-0.2 -36,-2.7 -37,-0.1 -1,-0.1 0.673 97.8-126.2 -80.4 -20.3 4.1 51.4 42.7 304 311 A G S S+ 0 0 79 -38,-0.2 2,-0.4 1,-0.2 -35,-0.1 0.483 80.7 100.7 85.1 3.7 2.4 53.6 45.3 305 312 A C + 0 0 15 -37,-0.5 -2,-0.2 1,-0.1 -1,-0.2 -0.975 26.8 150.0-125.9 119.7 5.5 53.4 47.5 306 313 A V + 0 0 45 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.443 65.3 53.9-117.1 -6.9 8.1 56.2 47.8 307 314 A D - 0 0 116 5,-0.0 2,-0.5 6,-0.0 -1,-0.1 -0.934 64.8-144.5-130.8 150.0 9.4 55.7 51.4 308 315 A I > - 0 0 8 3,-0.4 3,-2.5 -2,-0.3 5,-0.1 -0.969 34.7-106.7-115.0 129.7 10.9 52.8 53.3 309 316 A K T 3 S+ 0 0 95 -2,-0.5 3,-0.1 1,-0.3 -82,-0.0 -0.252 105.4 12.3 -52.7 129.4 10.0 52.4 57.0 310 317 A G T 3 S+ 0 0 92 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.475 106.0 110.4 83.8 0.3 13.0 53.3 59.1 311 318 A V < - 0 0 60 -3,-2.5 2,-0.7 4,-0.0 -3,-0.4 -0.934 50.9-161.2-116.7 129.6 14.9 54.9 56.2 312 319 A S > - 0 0 34 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.921 4.0-167.1-101.8 105.8 15.7 58.5 55.6 313 320 A D H > S+ 0 0 12 -2,-0.7 4,-2.3 1,-0.2 -33,-0.2 0.850 88.7 55.1 -62.9 -32.9 16.5 58.9 51.9 314 321 A S H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 110.0 45.7 -66.8 -40.8 17.9 62.4 52.6 315 322 A E H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 112.0 52.0 -66.5 -38.9 20.3 61.0 55.2 316 323 A E H X S+ 0 0 69 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.880 104.3 56.6 -63.6 -38.6 21.3 58.2 52.9 317 324 A F H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.919 105.5 51.9 -58.9 -42.3 22.0 60.7 50.1 318 325 A K H X S+ 0 0 66 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.907 111.0 47.4 -57.5 -43.9 24.5 62.4 52.4 319 326 A I H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.911 110.7 51.8 -67.3 -42.7 26.2 59.0 53.1 320 327 A T H X S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.959 111.7 46.2 -56.6 -51.1 26.3 58.2 49.3 321 328 A R H X S+ 0 0 74 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.861 110.6 52.9 -61.0 -38.4 28.0 61.6 48.5 322 329 A Q H X S+ 0 0 105 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.892 109.9 49.3 -63.6 -39.5 30.5 61.1 51.4 323 330 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.935 108.5 52.2 -65.2 -44.8 31.3 57.7 50.0 324 331 A M H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-2.0 0.892 110.3 49.6 -56.7 -41.0 31.8 59.2 46.5 325 332 A D H <5S+ 0 0 83 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.950 112.0 47.3 -61.2 -50.2 34.2 61.8 48.0 326 333 A I H <5S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 112.1 48.5 -61.5 -44.6 36.2 59.2 49.8 327 334 A V H <5S- 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.854 121.9-110.0 -64.5 -36.2 36.5 56.9 46.8 328 335 A G T <5 + 0 0 52 -4,-2.0 2,-0.4 -5,-0.3 -3,-0.2 0.623 57.1 158.2 117.5 17.5 37.5 60.0 44.7 329 336 A F < - 0 0 7 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.0 -0.561 43.3-121.7 -63.4 127.4 34.8 61.0 42.3 330 337 A S > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.152 18.0-109.3 -67.3 164.2 35.3 64.6 41.5 331 338 A Q H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.842 122.2 49.6 -61.7 -37.6 32.7 67.3 42.1 332 339 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 110.7 51.2 -68.0 -41.4 32.1 67.6 38.3 333 340 A E H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 109.7 49.2 -61.2 -44.0 31.7 63.8 38.1 334 341 A Q H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.918 110.1 51.0 -64.1 -42.4 29.2 63.7 40.9 335 342 A M H X S+ 0 0 70 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.900 111.0 48.3 -62.9 -40.9 27.2 66.5 39.3 336 343 A S H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.875 108.6 54.3 -64.4 -41.9 27.2 64.6 36.0 337 344 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 112.1 45.0 -52.5 -50.1 26.1 61.4 37.8 338 345 A F H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.847 108.7 55.4 -68.8 -32.4 23.2 63.3 39.3 339 346 A K H X S+ 0 0 72 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.893 107.8 50.6 -60.2 -42.0 22.4 64.9 35.9 340 347 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 110.7 48.4 -62.2 -46.7 22.1 61.4 34.4 341 348 A 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0.260 56.5 110.0 -84.4 4.4 20.2 20.0 40.9 504 511 A Q H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 72.3 52.4 -56.0 -44.0 21.5 18.6 37.6 505 512 A A H > S+ 0 0 46 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.917 113.1 44.0 -60.3 -43.2 18.1 18.0 36.0 506 513 A T H > S+ 0 0 3 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.929 113.6 51.9 -69.1 -40.3 16.9 21.6 36.7 507 514 A I H X S+ 0 0 7 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.933 110.9 46.7 -59.9 -48.4 20.3 22.9 35.5 508 515 A D H X S+ 0 0 83 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 108.7 55.9 -61.8 -43.6 20.1 21.0 32.2 509 516 A L H < S+ 0 0 1 -4,-2.3 9,-3.0 -5,-0.2 -1,-0.2 0.924 117.7 34.6 -51.6 -48.0 16.5 22.1 31.6 510 517 A I H < S+ 0 0 0 -4,-2.0 9,-2.6 7,-0.3 10,-0.4 0.936 135.9 19.1 -76.3 -46.8 17.6 25.7 31.9 511 518 A D H < S+ 0 0 54 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.269 83.2 141.4-117.1 11.3 21.0 25.7 30.3 512 519 A G <> - 0 0 15 -4,-2.3 5,-2.6 -5,-0.3 8,-0.4 -0.146 29.4-169.4 -53.5 145.1 21.2 22.5 28.3 513 520 A R T 5S+ 0 0 85 3,-0.3 -1,-0.1 1,-0.2 -5,-0.0 0.781 71.9 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0.911 18.2-164.4 48.0 56.7 18.0 44.1 24.5 584 591 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.275 20.1-177.6 -74.4 156.3 17.8 46.5 21.5 585 592 A L - 0 0 33 -168,-0.0 5,-0.1 -171,-0.0 -175,-0.1 -0.912 34.7-111.8-150.4 123.7 18.7 50.2 21.4 586 593 A Q >> - 0 0 51 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 -0.340 19.4-137.8 -58.1 130.7 18.2 52.3 18.3 587 594 A Q H 3> S+ 0 0 134 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.816 102.5 63.7 -57.4 -31.6 21.6 53.3 16.9 588 595 A D H 3> S+ 0 0 17 -198,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.831 99.2 52.7 -67.3 -33.0 20.2 56.8 16.3 589 596 A L H <> S+ 0 0 0 -3,-0.9 4,-2.2 -204,-0.3 -1,-0.2 0.882 108.3 50.8 -65.8 -40.7 19.8 57.3 20.0 590 597 A E H X S+ 0 0 41 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.938 109.1 50.9 -61.7 -44.2 23.4 56.2 20.5 591 598 A L H X S+ 0 0 86 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.906 108.8 53.1 -59.9 -40.4 24.5 58.8 17.9 592 599 A C H >< S+ 0 0 4 -4,-2.0 3,-0.8 1,-0.2 -214,-0.3 0.955 114.8 39.1 -56.8 -51.1 22.4 61.4 19.7 593 600 A F H >< S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.777 102.6 69.1 -78.6 -25.1 24.1 60.7 23.1 594 601 A K H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 99.0 54.9 -56.1 -28.7 27.6 60.3 21.6 595 602 A D T << S+ 0 0 139 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.185 81.0 135.2 -90.8 11.8 27.4 64.0 20.9 596 603 A S < - 0 0 11 -3,-2.1 -219,-0.2 1,-0.1 -220,-0.2 -0.353 55.2-143.0 -62.6 140.6 26.7 65.0 24.5 597 604 A S S S+ 0 0 97 -221,-2.1 2,-0.4 -222,-0.1 -221,-0.2 0.496 75.0 101.6 -76.3 -6.8 28.5 67.9 26.0 598 605 A D > - 0 0 11 -223,-0.6 4,-2.8 -222,-0.2 5,-0.2 -0.719 68.3-145.8 -88.3 130.0 28.7 66.0 29.3 599 606 A N H > S+ 0 0 130 -2,-0.4 4,-0.9 2,-0.2 -1,-0.1 0.805 99.9 42.6 -64.2 -32.7 32.1 64.3 30.0 600 607 A V H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.1 3,-0.4 0.946 113.6 50.1 -79.3 -47.5 30.5 61.3 31.8 601 608 A V H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.904 107.9 55.2 -56.9 -43.3 27.6 60.8 29.3 602 609 A T H X S+ 0 0 40 -4,-2.8 4,-1.8 1,-0.2 3,-0.3 0.884 106.8 50.5 -58.2 -36.8 30.1 60.9 26.5 603 610 A K H X S+ 0 0 44 -4,-0.9 4,-2.2 -3,-0.4 7,-0.2 0.921 104.3 58.1 -67.5 -40.6 32.1 58.0 28.1 604 611 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.2 32.1 -57.2 -31.1 29.0 56.0 28.5 605 612 A F H < S+ 0 0 5 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.641 127.0 35.8-101.5 -18.5 28.4 56.1 24.7 606 613 A N H < S+ 0 0 77 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.618 89.8 92.1-111.3 -21.0 32.0 56.2 23.3 607 614 A D >X - 0 0 34 -4,-2.2 4,-3.6 -5,-0.3 3,-1.9 -0.726 64.6-153.2 -80.4 110.5 34.0 54.0 25.7 608 615 A P H 3> S+ 0 0 84 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.734 92.2 61.2 -58.9 -27.8 33.8 50.4 24.1 609 616 A N H 34 S+ 0 0 127 1,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.737 121.3 24.9 -68.4 -24.2 34.2 48.7 27.4 610 617 A I H <4 S+ 0 0 12 -3,-1.9 -1,-0.1 -7,-0.2 -6,-0.1 0.771 136.2 30.3-102.5 -38.8 31.0 50.4 28.5 611 618 A A H < S+ 0 0 17 -4,-3.6 -2,-0.1 -8,-0.2 2,-0.1 0.688 95.3 89.6-102.4 -26.2 29.2 51.0 25.2 612 619 A S < - 0 0 68 -4,-1.3 2,-0.4 -5,-0.4 -6,-0.0 -0.427 56.6-154.5 -80.0 150.9 30.3 48.2 22.8 613 620 A R - 0 0 65 -2,-0.1 -4,-0.0 0, 0.0 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1,-0.2 5,-0.2 0.922 120.0 55.0 -57.0 -42.6 21.4 38.8 27.4 624 631 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.906 110.3 45.1 -58.2 -40.1 21.1 35.0 27.9 625 632 A A H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 113.7 49.3 -72.0 -40.1 24.6 34.5 26.3 626 633 A Q H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.927 111.4 50.1 -59.7 -47.9 26.0 37.4 28.2 627 634 A Y H X S+ 0 0 16 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.969 111.0 49.1 -52.5 -54.8 24.6 35.9 31.4 628 635 A K H X S+ 0 0 34 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.891 110.3 50.1 -55.2 -44.6 26.0 32.5 30.6 629 636 A E H X S+ 0 0 123 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.924 112.2 47.5 -59.7 -48.8 29.5 33.9 29.9 630 637 A Q H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 114.1 46.8 -61.3 -43.9 29.5 35.8 33.2 631 638 A L H X S+ 0 0 12 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.903 111.6 50.1 -66.8 -41.8 28.4 32.7 35.1 632 639 A A H X S+ 0 0 63 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.920 110.3 52.2 -60.3 -43.2 30.9 30.5 33.4 633 640 A S H X S+ 0 0 65 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 111.7 45.1 -55.4 -50.8 33.6 33.1 34.3 634 641 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.939 111.8 51.2 -60.2 -50.4 32.6 33.1 38.0 635 642 A M H X S+ 0 0 35 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.877 108.6 52.7 -60.5 -35.6 32.4 29.3 38.3 636 643 A A H X S+ 0 0 61 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.886 109.9 48.1 -64.1 -43.3 35.9 29.1 36.7 637 644 A T H >< S+ 0 0 40 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.924 109.6 52.7 -62.1 -43.7 37.3 31.5 39.4 638 645 A L H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.860 100.7 61.1 -60.4 -37.9 35.6 29.6 42.2 639 646 A E H 3< S+ 0 0 100 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.716 100.8 55.3 -67.6 -16.7 37.1 26.3 41.0 640 647 A T T << S+ 0 0 82 -3,-1.1 -469,-0.4 -4,-0.6 -1,-0.3 0.369 104.1 69.0 -90.0 1.5 40.6 27.8 41.6 641 648 A T S < S- 0 0 13 -3,-2.0 -469,-0.3 -4,-0.1 -198,-0.1 -0.784 84.8-114.5-115.7 163.8 39.8 28.7 45.3 642 649 A N E - i 0 172C 55 -471,-2.1 -469,-2.4 -2,-0.3 2,-0.2 -0.901 44.7-139.5 -90.0 115.1 39.1 26.8 48.5 643 650 A P E - i 0 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