==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-03 1Q6X . COMPND 2 MOLECULE: CHOLINE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.CAI,D.W.RODGERS . 1176 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 847 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 9.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 91 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 4 0 4 0 2 0 2 6 0 4 2 4 2 2 0 0 4 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 6 2 2 4 0 2 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 2 0 2 0 0 2 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 18 A W 0 0 217 0, 0.0 126,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.9 26.3 68.1 52.9 2 19 A E - 0 0 130 0, 0.0 144,-0.0 0, 0.0 0, 0.0 0.241 360.0-120.2-123.7 7.5 24.5 70.7 55.2 3 20 A E > + 0 0 41 1,-0.1 3,-1.7 424,-0.1 424,-0.1 0.635 65.2 143.7 61.4 18.4 26.5 69.8 58.3 4 21 A L T 3 S+ 0 0 119 1,-0.3 -1,-0.1 423,-0.0 423,-0.1 0.696 70.2 51.8 -60.8 -17.2 23.3 68.8 60.1 5 22 A D T 3 S+ 0 0 168 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.533 83.8 104.1 -97.2 -7.5 25.3 66.1 61.9 6 23 A L S < S- 0 0 21 -3,-1.7 420,-0.1 1,-0.1 421,-0.1 -0.426 88.1 -91.2 -70.0 150.1 28.1 68.2 63.1 7 24 A P - 0 0 60 0, 0.0 420,-2.1 0, 0.0 2,-0.2 -0.298 41.4-117.3 -61.4 144.8 27.8 69.0 66.9 8 25 A K - 0 0 81 418,-0.2 59,-0.1 1,-0.1 58,-0.1 -0.586 40.8 -89.0 -81.8 149.7 26.0 72.2 67.8 9 26 A L - 0 0 3 57,-0.5 59,-0.2 418,-0.3 -1,-0.1 -0.382 51.1-120.4 -59.5 126.5 27.9 74.9 69.5 10 27 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 416,-0.0 -0.256 10.0-134.2 -68.5 155.1 27.7 74.3 73.3 11 28 A V - 0 0 24 471,-0.0 3,-0.1 48,-0.0 471,-0.1 -0.965 27.4-134.2-111.3 115.4 26.2 76.8 75.8 12 29 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 470,-0.1 -0.245 29.2 -89.9 -67.4 156.4 28.5 77.0 78.9 13 30 A P > - 0 0 71 0, 0.0 4,-1.8 0, 0.0 5,-0.2 -0.438 36.0-127.6 -66.3 141.7 27.2 76.9 82.5 14 31 A L H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 103.8 49.0 -58.3 -53.4 26.4 80.5 83.7 15 32 A Q H > S+ 0 0 106 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.857 109.9 52.8 -58.7 -37.2 28.4 80.5 86.9 16 33 A Q H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.926 110.1 47.6 -65.1 -43.7 31.5 79.1 85.2 17 34 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.944 114.2 46.6 -62.4 -47.0 31.4 81.9 82.6 18 35 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.905 113.3 49.9 -62.4 -40.5 30.9 84.6 85.2 19 36 A A H X S+ 0 0 58 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.934 111.4 46.6 -65.7 -45.6 33.7 83.1 87.4 20 37 A T H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.927 109.6 57.4 -61.5 -41.6 36.2 82.9 84.5 21 38 A Y H X S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.932 108.4 44.0 -52.8 -53.5 35.2 86.5 83.6 22 39 A L H X S+ 0 0 35 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.891 113.4 51.3 -60.4 -42.3 36.1 88.0 87.0 23 40 A Q H X S+ 0 0 111 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.897 109.0 51.3 -63.3 -41.1 39.4 86.0 87.2 24 41 A C H < S+ 0 0 13 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.844 117.1 39.2 -63.7 -36.6 40.4 87.3 83.7 25 42 A M H >X S+ 0 0 3 -4,-1.7 3,-2.9 -5,-0.2 4,-0.9 0.774 89.0 86.8 -89.8 -27.1 39.8 90.9 84.7 26 43 A Q H >< S+ 0 0 112 -4,-2.3 3,-0.8 1,-0.3 -1,-0.1 0.850 94.8 43.0 -40.6 -55.0 41.0 91.2 88.3 27 44 A H T 3< S+ 0 0 51 -4,-0.5 387,-0.3 1,-0.2 -1,-0.3 0.378 112.4 57.4 -78.7 8.0 44.6 92.0 87.4 28 45 A L T <4 S+ 0 0 16 -3,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.522 101.6 50.2-114.2 -9.0 43.6 94.3 84.6 29 46 A V S << S- 0 0 15 -4,-0.9 5,-0.0 -3,-0.8 481,-0.0 -0.875 94.4 -79.9-128.1 162.3 41.5 96.9 86.4 30 47 A P > - 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.247 40.4-118.7 -58.7 144.2 41.8 99.1 89.5 31 48 A E H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -2,-0.0 0.899 113.2 50.8 -50.6 -48.3 41.1 97.4 92.8 32 49 A E H > S+ 0 0 119 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.947 111.1 47.2 -57.1 -51.9 38.2 99.8 93.6 33 50 A Q H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.874 108.0 56.8 -58.6 -39.7 36.5 99.2 90.3 34 51 A F H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.925 101.2 56.4 -59.1 -45.5 36.9 95.4 90.6 35 52 A R H X S+ 0 0 166 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.855 107.4 48.9 -56.6 -37.6 35.1 95.3 93.9 36 53 A K H X S+ 0 0 127 -4,-1.2 4,-2.6 -3,-0.2 -1,-0.2 0.891 108.6 53.2 -69.9 -38.8 32.0 97.0 92.3 37 54 A S H X S+ 0 0 0 -4,-1.9 4,-3.6 1,-0.2 5,-0.3 0.883 103.7 56.8 -63.6 -37.6 32.1 94.5 89.4 38 55 A Q H X S+ 0 0 84 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 110.6 44.1 -59.7 -40.7 32.1 91.6 91.8 39 56 A A H X S+ 0 0 38 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.902 113.7 50.4 -70.4 -41.1 28.9 93.0 93.3 40 57 A I H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.934 113.2 45.4 -62.2 -45.7 27.5 93.7 89.8 41 58 A V H X S+ 0 0 8 -4,-3.6 4,-3.0 2,-0.2 -2,-0.2 0.905 110.8 53.9 -65.3 -40.5 28.3 90.1 88.7 42 59 A K H X S+ 0 0 161 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.928 111.2 45.0 -59.6 -46.2 26.9 88.7 91.9 43 60 A R H >< S+ 0 0 132 -4,-2.5 3,-0.6 1,-0.2 7,-0.3 0.920 113.6 51.2 -63.3 -42.0 23.6 90.5 91.4 44 61 A F H 3< S+ 0 0 10 -4,-2.5 7,-2.1 1,-0.2 8,-0.4 0.899 117.6 38.1 -62.2 -40.8 23.6 89.4 87.7 45 62 A G H 3< S+ 0 0 7 -4,-3.0 -1,-0.2 6,-0.2 -2,-0.2 0.420 86.5 124.3 -93.7 2.1 24.2 85.8 88.6 46 63 A A S X< S- 0 0 37 -4,-1.0 3,-2.4 -3,-0.6 6,-0.4 -0.204 77.8 -77.4 -61.7 151.7 22.0 85.5 91.7 47 64 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.255 120.3 6.9 -52.2 122.7 19.2 82.8 91.9 48 65 A G T 3 S+ 0 0 65 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.648 106.0 131.8 77.0 13.8 16.2 83.9 89.8 49 66 A G S <> S- 0 0 17 -3,-2.4 4,-1.6 -4,-0.1 -1,-0.2 -0.067 76.2 -82.7 -87.3-169.7 18.2 87.0 88.6 50 67 A L H > S+ 0 0 58 -7,-0.3 4,-2.7 1,-0.2 5,-0.2 0.928 122.9 57.8 -61.3 -47.0 18.7 88.4 85.1 51 68 A G H > S+ 0 0 0 -7,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.898 107.3 44.9 -51.2 -50.1 21.5 86.1 84.2 52 69 A E H > S+ 0 0 85 -6,-0.4 4,-1.9 -8,-0.4 -1,-0.2 0.857 111.9 53.4 -66.2 -35.2 19.5 82.9 84.7 53 70 A T H X S+ 0 0 69 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.951 113.1 43.1 -62.9 -48.9 16.5 84.3 82.8 54 71 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 110.3 56.4 -63.8 -40.9 18.7 85.2 79.9 55 72 A Q H X S+ 0 0 27 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.874 105.1 52.3 -59.1 -38.9 20.5 81.8 80.1 56 73 A E H X S+ 0 0 127 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.894 109.7 48.9 -65.2 -38.4 17.2 80.0 79.7 57 74 A K H X S+ 0 0 68 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.864 108.4 54.7 -68.8 -34.9 16.4 82.1 76.6 58 75 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 105.6 51.0 -64.6 -44.6 19.9 81.2 75.2 59 76 A L H X S+ 0 0 75 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.872 109.2 52.3 -61.3 -35.3 19.2 77.4 75.6 60 77 A E H X S+ 0 0 78 -4,-1.5 4,-1.3 1,-0.2 3,-0.4 0.917 108.7 50.3 -64.2 -42.3 15.9 78.0 73.7 61 78 A R H X S+ 0 0 51 -4,-2.0 4,-1.6 1,-0.2 3,-0.2 0.887 104.7 57.8 -62.6 -40.8 17.9 79.7 71.0 62 79 A Q H < S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 106.7 48.8 -60.1 -31.5 20.3 76.8 70.8 63 80 A E H < S+ 0 0 145 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.803 113.8 45.6 -78.8 -29.5 17.5 74.4 70.0 64 81 A K H < S+ 0 0 167 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.616 112.0 51.4 -89.0 -17.4 16.0 76.6 67.3 65 82 A T S < S- 0 0 43 -4,-1.6 3,-0.2 -5,-0.1 -57,-0.0 -0.781 73.7-129.1-120.3 165.9 19.2 77.5 65.4 66 83 A A S S+ 0 0 30 1,-0.3 -57,-0.5 -2,-0.3 2,-0.3 0.835 106.2 10.8 -77.8 -34.2 22.1 75.7 63.9 67 84 A N > - 0 0 10 -59,-0.1 3,-0.6 -6,-0.1 4,-0.4 -0.917 68.3-152.8-148.4 114.3 24.5 78.0 65.8 68 85 A W T 3 S+ 0 0 5 -2,-0.3 4,-0.2 -3,-0.2 -6,-0.1 0.614 93.7 44.0 -66.2 -13.8 23.2 80.4 68.5 69 86 A V T 3> S+ 0 0 5 2,-0.1 4,-3.7 3,-0.1 5,-0.4 0.597 82.6 95.2-107.3 -14.2 26.0 83.0 68.0 70 87 A S H <> S+ 0 0 31 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.893 91.8 38.8 -41.0 -64.6 26.3 83.3 64.1 71 88 A E H > S+ 0 0 119 -4,-0.4 4,-1.8 1,-0.2 5,-0.2 0.928 120.6 46.1 -56.6 -48.9 24.0 86.3 63.7 72 89 A Y H > S+ 0 0 25 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 116.1 44.9 -62.0 -45.2 25.3 88.0 66.9 73 90 A W H X S+ 0 0 17 -4,-3.7 4,-2.7 1,-0.2 5,-0.4 0.911 110.0 53.6 -66.9 -45.3 28.9 87.4 66.1 74 91 A L H X>S+ 0 0 39 -4,-2.9 5,-1.9 -5,-0.4 4,-1.4 0.871 115.6 40.5 -59.1 -38.3 28.7 88.4 62.4 75 92 A N H <>S+ 0 0 34 -4,-1.8 5,-2.3 -5,-0.2 6,-0.3 0.904 117.7 45.6 -77.8 -42.0 27.2 91.8 63.3 76 93 A D H <5S+ 0 0 70 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.868 119.8 39.2 -70.0 -37.8 29.3 92.5 66.4 77 94 A M H <5S- 0 0 55 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.861 138.1 -10.7 -82.8 -36.8 32.6 91.6 64.8 78 95 A Y T ><5S+ 0 0 17 -4,-1.4 3,-1.6 -5,-0.4 -3,-0.2 0.713 119.3 56.5-127.6 -65.1 32.1 93.0 61.3 79 96 A L T 3 - 0 0 11 148,-0.1 4,-0.5 1,-0.1 5,-0.3 -0.377 33.8-125.6 -62.0 142.8 36.7 101.9 56.6 85 102 A L H >>S+ 0 0 1 146,-0.5 5,-2.6 144,-0.4 4,-2.4 0.896 83.3 95.1 -58.9 -43.5 37.5 98.4 55.5 86 103 A P H 45S-a 90 0A 0 0, 0.0 2,-2.7 0, 0.0 198,-0.1 -0.265 109.4 -17.5 -55.0 131.0 41.1 99.2 54.5 87 104 A V H 45S+ 0 0 2 3,-0.6 448,-1.6 196,-0.5 -2,-0.1 -0.222 132.8 67.8 68.4 -50.4 43.6 98.4 57.3 88 105 A N H <5S- 0 0 30 -2,-2.7 -1,-0.2 -4,-0.5 -3,-0.2 0.857 125.4 -6.0 -68.4 -36.0 40.9 98.3 60.0 89 106 A S T <5S+ 0 0 14 -4,-2.4 -4,-0.1 -5,-0.3 -1,-0.1 0.696 110.1 81.7-128.0 -46.8 39.2 95.2 58.8 90 107 A S B < -a 86 0A 2 -5,-2.6 -3,-0.6 226,-0.1 226,-0.2 -0.586 61.5-156.9 -78.2 109.8 40.4 93.7 55.5 91 108 A P - 0 0 7 0, 0.0 224,-2.5 0, 0.0 2,-0.3 -0.395 6.5-143.3 -79.9 158.6 43.6 91.6 55.9 92 109 A A E -BC 314 533B 0 441,-2.4 441,-2.1 222,-0.2 2,-0.5 -0.949 7.1-149.3-129.0 148.3 46.0 90.9 53.1 93 110 A V E -BC 313 532B 0 220,-2.7 220,-2.6 -2,-0.3 2,-0.5 -0.964 17.9-152.2-113.7 124.1 48.2 88.0 52.1 94 111 A I E -BC 312 531B 0 437,-3.0 437,-1.4 -2,-0.5 218,-0.2 -0.877 6.4-153.7-103.5 125.4 51.5 88.9 50.4 95 112 A F - 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0 0 1 -7,-1.8 2,-0.1 -2,-0.5 -1,-0.0 -0.170 34.1-126.0 -54.7 144.9 38.3 80.5 28.2 200 217 A S > - 0 0 56 1,-0.1 4,-2.5 -3,-0.0 5,-0.2 -0.425 25.4-103.7 -88.0 166.4 41.8 79.1 27.9 201 218 A E H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 124.9 52.8 -57.0 -38.1 44.9 80.6 29.6 202 219 A G H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 107.7 49.4 -63.9 -44.3 45.8 81.9 26.1 203 220 A D H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.931 108.7 52.3 -60.4 -47.7 42.5 83.6 25.6 204 221 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.892 108.5 52.4 -56.9 -38.7 42.6 85.3 29.0 205 222 A F H X S+ 0 0 34 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.935 110.2 47.4 -63.0 -45.1 46.0 86.6 28.1 206 223 A T H X S+ 0 0 66 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.918 113.1 48.5 -62.1 -43.7 44.6 88.0 24.8 207 224 A Q H X S+ 0 0 5 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.882 109.3 51.7 -65.5 -39.8 41.7 89.6 26.7 208 225 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.847 104.3 58.6 -65.8 -33.4 43.9 91.2 29.4 209 226 A R H X S+ 0 0 135 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.883 106.0 48.1 -63.4 -38.8 46.1 92.7 26.7 210 227 A K H X S+ 0 0 55 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.889 110.2 53.1 -68.7 -37.8 43.1 94.6 25.2 211 228 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.923 108.5 48.1 -62.4 -46.4 42.1 95.7 28.7 212 229 A V H X S+ 0 0 29 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.878 112.2 51.7 -64.0 -35.4 45.5 97.2 29.4 213 230 A K H X S+ 0 0 165 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.934 114.3 40.6 -68.2 -45.5 45.4 98.9 26.0 214 231 A M H >< S+ 0 0 62 -4,-2.8 3,-0.6 1,-0.2 6,-0.2 0.873 115.2 51.0 -71.5 -35.9 42.0 100.5 26.6 215 232 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 103.8 59.1 -69.7 -32.0 42.7 101.4 30.2 216 233 A S H 3< S+ 0 0 63 -4,-1.7 2,-0.6 -5,-0.3 -1,-0.2 0.706 81.6 102.2 -69.1 -20.3 46.0 103.1 29.2 217 234 A N X< - 0 0 71 -4,-0.6 3,-0.8 -3,-0.6 -4,-0.0 -0.550 55.2-167.1 -70.5 111.7 44.1 105.5 26.9 218 235 A E G > S+ 0 0 120 -2,-0.6 3,-1.1 1,-0.2 -1,-0.2 0.709 74.9 79.2 -72.4 -20.6 43.8 108.8 28.8 219 236 A D G 3 S+ 0 0 138 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.783 105.2 26.9 -61.6 -27.8 41.2 110.1 26.3 220 237 A E G < S+ 0 0 108 -3,-0.8 2,-0.2 -6,-0.2 -1,-0.2 -0.055 79.9 149.2-132.1 43.7 38.3 108.2 27.9 221 238 A R < - 0 0 97 -3,-1.1 -3,-0.1 -5,-0.1 -36,-0.1 -0.532 32.9-148.1 -74.9 133.6 39.3 107.7 31.5 222 239 A L - 0 0 28 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 -0.496 33.4 -77.0 -96.3 169.7 36.3 107.6 33.9 223 240 A P - 0 0 37 0, 0.0 2,-2.4 0, 0.0 3,-0.2 -0.314 48.9-104.3 -65.0 150.3 36.3 108.8 37.6 224 241 A P > + 0 0 42 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.387 50.6 166.9 -77.2 68.4 38.0 106.6 40.2 225 242 A I G > + 0 0 1 -2,-2.4 3,-1.9 1,-0.3 4,-0.4 0.781 64.3 73.4 -54.0 -31.1 34.7 105.3 41.7 226 243 A G G > S+ 0 0 1 -41,-0.3 3,-1.7 67,-0.3 4,-0.4 0.801 81.3 73.7 -54.2 -30.7 36.5 102.5 43.5 227 244 A L G X S+ 0 0 5 -3,-1.9 3,-1.4 1,-0.3 4,-0.3 0.799 85.6 64.1 -52.6 -34.6 37.8 105.1 46.0 228 245 A L G X S+ 0 0 1 -3,-1.9 3,-1.1 -4,-0.3 -1,-0.3 0.802 93.1 61.0 -63.6 -29.0 34.3 105.4 47.5 229 246 A T G < S+ 0 0 0 -3,-1.7 -144,-0.4 -4,-0.4 -1,-0.3 0.627 95.9 63.7 -73.7 -11.1 34.6 101.8 48.7 230 247 A S G < S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.552 89.0 89.1 -88.2 -7.0 37.6 102.8 50.8 231 248 A D S < S- 0 0 8 -3,-1.1 -146,-0.5 -4,-0.3 131,-0.0 -0.183 94.0 -61.8 -85.7 177.6 35.6 105.2 53.0 232 249 A G > - 0 0 4 -148,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.229 53.2-114.8 -54.3 146.7 33.7 104.8 56.3 233 250 A R H > S+ 0 0 0 -151,-1.8 4,-1.8 1,-0.2 -1,-0.1 0.843 115.7 48.1 -56.4 -37.1 30.8 102.3 55.9 234 251 A S H > S+ 0 0 43 -152,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.857 111.4 50.1 -73.1 -35.3 28.2 105.0 56.6 235 252 A E H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.933 112.0 47.7 -67.0 -45.2 29.9 107.5 54.1 236 253 A W H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.863 107.7 55.7 -65.9 -34.7 30.0 104.8 51.4 237 254 A A H X S+ 0 0 8 -4,-1.8 4,-1.9 -78,-0.3 -1,-0.2 0.905 111.8 44.2 -64.0 -39.0 26.3 103.8 52.0 238 255 A K H X S+ 0 0 140 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.968 115.8 45.4 -68.9 -52.5 25.4 107.5 51.4 239 256 A A H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.893 113.0 52.1 -57.7 -40.6 27.6 107.9 48.4 240 257 A R H X S+ 0 0 30 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.902 105.3 54.1 -63.2 -42.4 26.4 104.6 47.0 241 258 A T H < S+ 0 0 87 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.846 105.9 53.4 -61.3 -33.6 22.7 105.6 47.4 242 259 A V H >< S+ 0 0 20 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.915 106.6 53.6 -66.2 -40.8 23.4 108.7 45.3 243 260 A L H >< S+ 0 0 1 -4,-1.7 3,-1.9 1,-0.3 6,-0.3 0.861 96.6 66.1 -59.3 -40.2 24.9 106.5 42.6 244 261 A L T 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.574 80.5 81.4 -62.5 -9.7 21.7 104.3 42.5 245 262 A K T < S+ 0 0 147 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.768 87.1 63.2 -68.8 -23.4 19.8 107.3 41.1 246 263 A D S <> S- 0 0 40 -3,-1.9 4,-2.0 -4,-0.2 3,-0.4 -0.882 75.8-140.9-110.4 135.8 21.2 106.6 37.6 247 264 A S H > S+ 0 0 64 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.802 101.4 59.5 -56.1 -34.6 20.4 103.5 35.6 248 265 A T H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 108.1 42.2 -64.9 -44.5 24.0 103.4 34.3 249 266 A N H > S+ 0 0 5 -3,-0.4 4,-2.9 -6,-0.3 5,-0.3 0.871 109.4 60.5 -70.3 -34.9 25.6 103.1 37.7 250 267 A R H X S+ 0 0 122 -4,-2.0 4,-1.6 -7,-0.3 -1,-0.2 0.882 106.9 45.6 -58.8 -39.6 22.9 100.6 38.7 251 268 A D H X S+ 0 0 98 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.903 113.1 48.9 -71.4 -42.0 24.1 98.3 36.0 252 269 A S H X S+ 0 0 5 -4,-1.7 4,-1.9 96,-0.2 -2,-0.2 0.889 110.6 50.1 -66.0 -40.3 27.8 98.7 36.8 253 270 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.903 108.8 53.7 -64.4 -40.5 27.2 98.1 40.5 254 271 A D H X S+ 0 0 62 -4,-1.6 4,-0.5 -5,-0.3 -2,-0.2 0.915 106.7 51.2 -60.3 -43.2 25.3 94.9 39.6 255 272 A M H >< S+ 0 0 28 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.915 113.1 45.1 -60.6 -44.1 28.1 93.6 37.5 256 273 A I H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.859 109.6 56.1 -67.2 -36.6 30.6 94.1 40.3 257 274 A E H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.531 112.4 42.8 -73.6 -6.5 28.2 92.6 42.8 258 275 A R T << S+ 0 0 78 -3,-0.9 -80,-0.4 -4,-0.5 -1,-0.2 0.185 87.4 112.8-126.0 19.3 28.0 89.4 40.7 259 276 A C < - 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0 0 54 -2,-0.7 -2,-0.0 4,-0.1 -108,-0.0 -0.832 9.8-178.2-101.9 116.1 29.0 111.3 37.9 352 380 A S > - 0 0 34 -2,-0.6 4,-2.4 1,-0.0 5,-0.2 -0.444 45.1 -95.8-101.5 174.1 27.1 114.2 39.5 353 381 A P H > S+ 0 0 111 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.841 125.0 53.7 -58.4 -34.0 28.3 117.2 41.6 354 382 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.947 109.1 47.2 -65.2 -49.7 27.3 115.2 44.8 355 383 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 108.3 55.5 -59.9 -39.7 29.5 112.2 43.7 356 384 A Q H X S+ 0 0 119 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.894 107.1 51.0 -60.9 -37.3 32.4 114.6 42.9 357 385 A G H X S+ 0 0 28 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.904 109.3 50.0 -65.6 -40.3 32.1 115.9 46.5 358 386 A H H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.827 106.4 55.9 -67.9 -32.8 32.2 112.4 47.9 359 387 A L H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.922 107.6 47.9 -66.3 -44.5 35.3 111.5 45.8 360 388 A A H X S+ 0 0 58 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.905 112.5 49.7 -64.0 -40.4 37.3 114.4 47.2 361 389 A S H X S+ 0 0 69 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.960 112.0 47.6 -62.1 -50.4 36.2 113.4 50.8 362 390 A S H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.882 107.9 56.3 -58.0 -42.0 37.2 109.8 50.3 363 391 A A H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -75,-0.3 0.936 111.2 42.4 -58.2 -47.0 40.6 110.8 48.8 364 392 A E H X S+ 0 0 115 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.918 113.8 53.2 -65.4 -42.5 41.5 112.8 51.9 365 393 A K H X S+ 0 0 74 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.892 107.6 50.1 -59.2 -43.2 40.2 110.1 54.2 366 394 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 3,-0.5 0.925 105.9 56.6 -64.7 -41.9 42.3 107.4 52.5 367 395 A Q H X S+ 0 0 76 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.855 101.7 56.5 -57.5 -37.7 45.4 109.5 52.8 368 396 A R H X S+ 0 0 150 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.886 108.5 47.7 -61.5 -37.7 44.9 109.7 56.6 369 397 A I H X S+ 0 0 30 -4,-1.2 4,-1.7 -3,-0.5 -2,-0.2 0.922 111.4 50.1 -68.1 -44.2 44.9 105.9 56.7 370 398 A V H < S+ 0 0 33 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.946 115.3 42.3 -59.2 -49.2 48.0 105.7 54.6 371 399 A K H < S+ 0 0 174 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.9 53.3 -68.8 -28.7 49.9 108.2 56.8 372 400 A N H < S+ 0 0 45 -4,-1.9 189,-2.6 -5,-0.2 2,-0.4 0.726 82.5 100.2 -80.5 -25.1 48.6 106.7 60.0 373 401 A L E < -M 560 0F 12 -4,-1.7 2,-0.7 -3,-0.3 187,-0.2 -0.517 49.4-171.0 -70.9 120.1 49.6 103.1 59.4 374 402 A D E +M 559 0F 20 185,-2.6 185,-1.4 -2,-0.4 2,-0.3 -0.943 24.6 167.9-108.1 107.5 52.9 102.1 61.2 375 403 A F E +M 558 0F 17 -2,-0.7 2,-0.3 183,-0.2 183,-0.2 -0.934 17.4 172.8-130.4 150.8 53.7 98.7 59.9 376 404 A I E -M 557 0F 35 181,-1.8 181,-2.5 -2,-0.3 2,-0.8 -0.971 26.3-144.3-157.2 138.6 56.6 96.2 59.9 377 405 A V E -M 556 0F 13 -2,-0.3 2,-0.6 179,-0.2 179,-0.2 -0.904 29.4-167.0-101.3 106.1 57.4 92.7 58.8 378 406 A Y E -M 555 0F 58 177,-3.6 177,-3.4 -2,-0.8 2,-0.7 -0.876 7.3-158.6-103.8 119.1 59.7 91.4 61.4 379 407 A K E -M 554 0F 101 -2,-0.6 2,-0.8 175,-0.2 175,-0.2 -0.846 0.5-162.0-101.2 112.2 61.6 88.2 60.7 380 408 A F E +M 553 0F 2 173,-2.8 173,-2.6 -2,-0.7 3,-0.2 -0.829 17.3 169.1 -91.3 109.1 62.9 86.4 63.8 381 409 A D + 0 0 120 -2,-0.8 -1,-0.1 171,-0.2 3,-0.1 0.393 49.9 93.3-104.4 3.4 65.5 84.0 62.5 382 410 A N S S- 0 0 76 1,-0.2 2,-0.3 171,-0.1 -1,-0.1 0.837 102.7 -39.9 -65.3 -31.9 67.2 82.8 65.8 383 411 A Y - 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0 0 15 -5,-1.8 -1,-0.3 1,-0.0 -2,-0.2 -0.755 66.3-104.7-108.5 156.2 55.8 73.3 74.6 394 422 A S > - 0 0 55 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.618 22.4-140.0 -78.3 130.2 53.2 74.4 72.1 395 423 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.879 101.9 49.8 -58.5 -37.4 54.5 76.8 69.5 396 424 A D H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.964 114.2 42.4 -66.7 -52.3 51.3 78.9 69.7 397 425 A G H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 113.0 54.5 -62.5 -35.4 51.2 79.2 73.4 398 426 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.935 111.0 44.6 -63.7 -46.4 55.0 79.8 73.6 399 427 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.875 111.7 53.2 -66.7 -36.9 54.7 82.7 71.2 400 428 A Q H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.890 108.2 50.0 -66.1 -38.8 51.6 84.1 73.0 401 429 A V H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.933 109.6 52.7 -64.8 -41.6 53.5 84.1 76.3 402 430 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.900 105.1 53.7 -59.4 -43.1 56.3 85.9 74.6 403 431 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.862 107.1 52.0 -62.0 -35.0 53.9 88.6 73.3 404 432 A Q H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.867 111.4 47.6 -68.6 -34.4 52.7 89.2 76.8 405 433 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.920 109.2 53.0 -71.4 -42.4 56.4 89.6 77.9 406 434 A A H < S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.2 -2,-0.2 0.913 112.3 45.4 -57.8 -42.9 57.1 92.0 75.1 407 435 A Y H >X S+ 0 0 13 -4,-2.1 4,-2.3 -5,-0.2 3,-0.8 0.905 112.3 50.9 -68.5 -42.0 54.2 94.1 76.1 408 436 A Y H 3X S+ 0 0 18 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.912 104.1 55.0 -64.2 -44.4 55.0 94.1 79.8 409 437 A R H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.664 116.1 41.6 -65.2 -12.9 58.7 95.1 79.4 410 438 A L H <4 S+ 0 0 49 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.778 132.5 16.2-102.0 -36.0 57.4 98.1 77.5 411 439 A Y H < S- 0 0 54 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.531 89.5-129.1-116.5 -10.0 54.4 99.3 79.5 412 440 A Q S < S+ 0 0 135 -4,-2.9 2,-0.3 -5,-0.4 -4,-0.2 0.910 82.2 66.0 60.8 44.9 54.8 97.5 82.8 413 441 A R S S- 0 0 123 -6,-0.2 -2,-0.3 -5,-0.0 2,-0.3 -0.904 78.1-118.8-178.3 160.7 51.2 96.1 82.8 414 442 A L - 0 0 5 -387,-0.3 -10,-0.0 -2,-0.3 -9,-0.0 -0.743 26.0-154.8-108.9 162.6 49.3 93.6 80.7 415 443 A V - 0 0 9 -2,-0.3 22,-0.1 -11,-0.0 102,-0.1 -0.923 37.0 -72.0-136.0 161.2 46.2 94.5 78.7 416 444 A P - 0 0 16 0, 0.0 103,-1.2 0, 0.0 102,-0.7 -0.326 58.9-163.0 -54.4 123.3 43.1 92.7 77.3 417 445 A T E -n 519 0F 1 100,-0.2 2,-0.4 101,-0.2 103,-0.2 -0.828 12.0-149.2-115.1 150.9 44.4 90.5 74.5 418 446 A Y E +n 520 0F 21 101,-2.7 103,-2.7 -2,-0.3 2,-0.4 -0.969 14.3 175.9-122.0 133.9 42.6 88.8 71.7 419 447 A E E -n 521 0F 5 -2,-0.4 15,-1.8 15,-0.4 103,-0.2 -0.961 31.9-123.2-137.4 120.2 43.7 85.6 70.0 420 448 A S E -Q 433 0G 43 101,-1.5 2,-0.4 -2,-0.4 103,-0.3 -0.345 28.9-173.7 -61.7 131.3 41.6 84.0 67.3 421 449 A A E -Q 432 0G 6 11,-1.9 11,-2.3 -2,-0.1 2,-0.2 -0.976 21.3-126.9-133.8 121.1 40.5 80.4 68.1 422 450 A S E -Q 431 0G 42 -2,-0.4 9,-0.3 9,-0.2 3,-0.1 -0.447 22.4-178.9 -70.6 131.5 38.7 78.3 65.5 423 451 A I > + 0 0 1 7,-1.9 3,-1.6 -2,-0.2 6,-0.2 -0.173 38.9 130.4-117.2 36.3 35.4 76.6 66.5 424 452 A R T 3 + 0 0 14 6,-0.3 -280,-2.4 1,-0.3 5,-0.2 0.533 52.1 84.6 -69.2 -4.8 34.9 74.9 63.2 425 453 A R T 3 S+ 0 0 54 54,-0.3 -1,-0.3 -282,-0.2 2,-0.2 0.814 90.5 61.3 -64.5 -24.8 34.3 71.6 65.0 426 454 A F S X S- 0 0 21 -3,-1.6 3,-2.2 -420,-0.1 -282,-0.2 -0.590 106.9 -72.0-104.5 161.4 30.7 72.9 65.3 427 455 A Q T 3 S- 0 0 15 -420,-2.1 -418,-0.3 1,-0.3 3,-0.1 -0.237 115.5 -9.1 -52.8 130.2 27.9 73.8 62.9 428 456 A E T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.587 95.5 176.6 55.4 15.5 28.6 77.1 61.1 429 457 A G < + 0 0 1 -3,-2.2 -1,-0.2 -5,-0.2 -5,-0.1 -0.199 17.1 159.8 -57.1 131.1 31.5 77.6 63.5 430 458 A R - 0 0 24 1,-0.2 -7,-1.9 -3,-0.1 2,-0.3 0.561 49.1 -50.8-112.2 -94.3 33.8 80.6 63.1 431 459 A V E -Q 422 0G 5 -9,-0.3 2,-0.3 -8,-0.2 -1,-0.2 -0.941 33.1-164.8-148.2 168.1 35.9 81.7 66.1 432 460 A D E -Q 421 0G 9 -11,-2.3 -11,-1.9 -2,-0.3 2,-0.3 -0.835 36.9 -91.2-139.9 177.6 36.0 82.5 69.8 433 461 A N E -Q 420 0G 1 -2,-0.3 2,-0.5 -13,-0.2 51,-0.3 -0.766 16.6-157.0-107.7 144.4 38.6 84.3 71.8 434 462 A I - 0 0 3 -15,-1.8 2,-1.2 -2,-0.3 -15,-0.4 -0.967 18.1-146.8-109.6 120.0 41.6 83.0 73.9 435 463 A R + 0 0 16 -2,-0.5 -17,-0.1 1,-0.2 39,-0.1 -0.708 19.5 178.6 -93.3 91.1 42.6 85.6 76.5 436 464 A S + 0 0 1 -2,-1.2 2,-2.5 1,-0.2 -1,-0.2 0.648 61.0 88.7 -65.6 -19.5 46.3 85.3 76.8 437 465 A A + 0 0 5 -20,-0.2 -1,-0.2 -22,-0.1 -23,-0.1 -0.375 68.0 162.7 -78.7 62.9 46.8 88.0 79.4 438 466 A T > - 0 0 11 -2,-2.5 4,-2.1 1,-0.1 5,-0.1 -0.283 55.5-111.5 -81.4 165.6 46.2 85.5 82.2 439 467 A P H > S+ 0 0 46 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.906 120.6 52.9 -62.1 -38.2 47.1 85.7 85.9 440 468 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 27,-0.2 0.863 107.2 50.2 -65.5 -37.3 49.8 83.1 85.3 441 469 A A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 107.2 55.5 -69.2 -36.7 51.3 85.1 82.5 442 470 A L H X S+ 0 0 32 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.928 106.7 50.1 -60.4 -43.6 51.4 88.1 84.7 443 471 A A H X S+ 0 0 35 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.911 111.7 48.8 -61.0 -43.2 53.4 86.2 87.3 444 472 A F H X S+ 0 0 0 -4,-1.9 4,-1.4 19,-0.2 -2,-0.2 0.931 110.9 47.5 -64.4 -47.1 55.9 85.1 84.7 445 473 A V H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 5,-0.3 0.839 110.0 53.5 -65.3 -33.4 56.5 88.5 83.1 446 474 A Q H X S+ 0 0 82 -4,-1.9 4,-2.5 -5,-0.2 3,-0.2 0.906 110.1 46.5 -67.3 -41.9 56.9 90.2 86.5 447 475 A A H < S+ 0 0 10 -4,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.758 111.9 53.9 -71.0 -24.7 59.6 87.7 87.5 448 476 A M H < S+ 0 0 25 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.732 128.1 12.1 -83.1 -23.7 61.3 88.1 84.1 449 477 A T H < S+ 0 0 36 -4,-1.3 -2,-0.2 -3,-0.2 -3,-0.2 0.597 123.0 55.5-128.4 -18.1 61.7 91.9 84.2 450 478 A D S < S+ 0 0 92 -4,-2.5 -3,-0.1 -5,-0.3 -2,-0.1 0.220 96.2 67.4-102.7 15.5 61.0 93.1 87.7 451 479 A H - 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