==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-DEC-98 2SKD . COMPND 2 MOLECULE: PYRIDOXAL PHOSPHORYLASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR N.G.OIKONOMAKOS,S.E.ZOGRAPHOS,K.E.TSITSANOU,L.N.JOHNSON,K.R. . 830 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.3 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 7 1 2 2 5 1 0 0 1 0 3 0 1 0 1 0 0 1 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 1 3 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 PARALLEL BRIDGES PER LADDER . 0 2 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 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 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 13 A I 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.6 -1.9 10.7 30.1 2 14 A S - 0 0 33 3,-0.2 2,-0.9 487,-0.0 484,-0.1 -0.850 360.0 -70.4 156.7 179.0 1.5 9.7 28.5 3 15 A V S S+ 0 0 52 -2,-0.3 3,-0.1 1,-0.2 90,-0.1 -0.403 82.4 126.8 -97.6 57.7 4.0 7.0 29.2 4 16 A R S S- 0 0 32 -2,-0.9 90,-2.4 1,-0.5 91,-0.4 -0.035 84.4 -91.0 -95.4 23.8 5.1 8.5 32.4 5 17 A G - 0 0 14 88,-0.2 -1,-0.5 89,-0.1 2,-0.3 -0.356 60.9 -40.7 96.1-176.5 4.3 5.1 33.8 6 18 A L - 0 0 149 85,-0.3 2,-0.8 -3,-0.1 89,-0.4 -0.673 35.5-146.5 -91.6 142.0 1.3 3.4 35.3 7 19 A A - 0 0 42 -2,-0.3 -1,-0.1 87,-0.2 5,-0.1 -0.566 34.1-167.8-103.4 65.3 -1.1 5.2 37.7 8 20 A G > - 0 0 32 -2,-0.8 4,-1.8 1,-0.1 5,-0.2 -0.112 26.4-127.4 -56.5 151.1 -1.8 2.0 39.7 9 21 A V H > S+ 0 0 113 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.944 107.1 43.3 -63.7 -52.6 -4.7 1.9 42.2 10 22 A E H > S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.873 116.6 47.4 -64.2 -38.6 -2.6 0.5 45.1 11 23 A N H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.802 106.4 53.5 -77.7 -29.9 0.3 2.9 44.5 12 24 A V H X S+ 0 0 6 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.863 113.3 46.8 -70.2 -33.3 -1.6 6.1 44.1 13 25 A T H X S+ 0 0 79 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.880 112.7 48.9 -72.1 -41.0 -3.2 5.4 47.5 14 26 A E H X S+ 0 0 78 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.910 110.5 50.9 -65.5 -42.9 0.1 4.5 49.0 15 27 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.944 107.8 53.8 -59.2 -49.3 1.7 7.7 47.7 16 28 A K H X S+ 0 0 52 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.870 108.3 46.3 -56.1 -44.3 -1.1 9.8 49.1 17 29 A K H X S+ 0 0 106 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.849 113.4 49.9 -71.1 -30.7 -0.9 8.6 52.7 18 30 A N H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.844 106.0 55.9 -73.6 -33.0 2.9 9.0 52.7 19 31 A F H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.937 111.9 44.5 -61.5 -43.7 2.6 12.5 51.3 20 32 A N H X S+ 0 0 65 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.819 107.4 58.1 -70.1 -32.5 0.4 13.2 54.3 21 33 A R H X>S+ 0 0 98 -4,-1.7 4,-3.4 1,-0.2 5,-0.6 0.961 111.6 42.0 -61.0 -51.1 2.7 11.4 56.7 22 34 A H H X>S+ 0 0 12 -4,-2.3 5,-3.1 1,-0.2 4,-1.0 0.865 108.7 57.0 -64.2 -40.9 5.6 13.7 55.7 23 35 A L H <5S+ 0 0 4 -4,-2.1 6,-2.1 -5,-0.2 -1,-0.2 0.841 121.8 30.2 -60.7 -30.2 3.5 16.9 55.7 24 36 A H H <5S+ 0 0 110 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.927 132.6 26.6 -91.6 -62.6 2.6 16.1 59.3 25 37 A F H <5S+ 0 0 147 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.804 131.3 33.0 -75.6 -33.6 5.6 14.2 60.8 26 38 A T T <> - 0 0 81 -2,-0.3 3,-3.3 -3,-0.1 4,-0.8 -0.990 34.6-105.4-131.7 140.5 -1.2 21.0 59.0 31 43 A R T 34 S+ 0 0 105 -2,-0.4 3,-0.2 1,-0.3 -1,-0.0 0.673 115.4 65.9 -34.2 -30.3 -3.2 21.4 55.7 32 44 A N T 34 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.600 113.2 26.8 -75.4 -12.7 -4.5 24.7 56.9 33 45 A V T <4 S+ 0 0 85 -3,-3.3 2,-0.2 2,-0.1 -1,-0.2 0.318 91.1 123.0-128.4 4.1 -1.1 26.5 57.0 34 46 A A < - 0 0 17 -4,-0.8 -11,-0.0 -3,-0.2 -5,-0.0 -0.497 43.4-161.2 -73.2 131.8 0.7 24.5 54.3 35 47 A T >> - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 3,-0.8 -0.628 38.4 -95.2-107.0 167.2 2.1 26.5 51.4 36 48 A P H 3> S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.835 126.3 57.7 -52.3 -31.2 3.1 25.3 48.0 37 49 A R H 3> S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.900 105.6 48.7 -67.7 -37.3 6.7 25.0 49.2 38 50 A D H <> S+ 0 0 20 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.897 110.5 51.8 -66.2 -39.5 5.6 22.7 52.0 39 51 A Y H X S+ 0 0 21 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.860 106.3 53.9 -65.5 -36.0 3.7 20.6 49.5 40 52 A Y H X S+ 0 0 8 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.901 110.1 48.0 -65.7 -38.2 6.8 20.4 47.3 41 53 A F H X S+ 0 0 25 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.862 107.5 53.1 -71.9 -35.8 8.7 19.0 50.3 42 54 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.928 114.1 44.4 -63.2 -43.0 6.2 16.4 51.3 43 55 A L H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.939 112.3 51.3 -65.2 -49.0 6.2 15.1 47.7 44 56 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.925 112.3 46.6 -55.3 -46.7 10.1 15.2 47.5 45 57 A H H X S+ 0 0 37 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.874 112.2 50.9 -64.8 -35.5 10.3 13.3 50.7 46 58 A T H X S+ 0 0 3 -4,-1.9 4,-0.6 -5,-0.2 -2,-0.2 0.895 113.1 44.8 -68.6 -40.3 7.7 10.8 49.5 47 59 A V H >< S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.2 4,-0.5 0.892 109.0 56.0 -70.2 -40.3 9.6 10.3 46.2 48 60 A R H >X S+ 0 0 56 -4,-2.7 3,-1.0 -5,-0.3 4,-0.7 0.806 97.3 66.0 -61.5 -29.4 13.0 10.0 48.0 49 61 A D H >X S+ 0 0 52 -4,-1.2 4,-0.7 1,-0.2 3,-0.6 0.839 93.8 60.4 -60.8 -35.0 11.5 7.2 50.1 50 62 A H H << S+ 0 0 43 -3,-1.0 4,-0.4 -4,-0.6 -1,-0.2 0.683 107.1 42.6 -70.8 -18.5 11.2 5.0 47.0 51 63 A L H <> S+ 0 0 1 -3,-1.0 4,-2.0 -4,-0.5 -1,-0.2 0.521 92.7 76.5-110.3 2.4 14.9 5.0 46.2 52 64 A V H S+ 0 0 29 -4,-0.4 4,-2.2 2,-0.2 172,-0.5 0.813 112.2 57.0 -73.2 -33.3 17.2 0.5 46.0 55 67 A W H X S+ 0 0 18 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.911 107.6 47.7 -63.5 -44.5 20.1 2.8 47.1 56 68 A I H X S+ 0 0 105 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.869 114.4 44.3 -67.4 -39.8 21.0 0.5 50.0 57 69 A R H X S+ 0 0 54 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.843 109.6 56.0 -76.2 -32.3 20.9 -2.8 48.0 58 70 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.962 113.5 40.8 -61.8 -48.1 22.8 -1.3 45.1 59 71 A Q H X S+ 0 0 50 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.856 115.2 50.4 -67.9 -37.3 25.7 -0.3 47.5 60 72 A Q H X S+ 0 0 94 -4,-1.8 4,-1.9 2,-0.2 3,-0.3 0.910 109.1 54.5 -66.9 -39.4 25.4 -3.6 49.4 61 73 A H H X>S+ 0 0 68 -4,-2.8 4,-2.8 1,-0.2 5,-0.5 0.952 105.0 50.4 -57.1 -54.4 25.6 -5.4 46.1 62 74 A Y H X5S+ 0 0 10 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.779 109.5 54.3 -56.6 -27.1 28.8 -3.7 45.0 63 75 A Y H <5S+ 0 0 117 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.881 113.6 40.1 -75.0 -38.4 30.2 -4.7 48.3 64 76 A E H <5S+ 0 0 118 -4,-1.9 -2,-0.2 -3,-0.4 -3,-0.1 0.973 124.8 34.6 -73.7 -57.9 29.3 -8.4 47.8 65 77 A K H <5S- 0 0 151 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.802 91.9-155.5 -68.1 -31.3 30.2 -8.8 44.1 66 78 A D << + 0 0 13 -4,-1.2 -3,-0.1 -5,-0.5 -4,-0.1 0.945 20.4 179.6 55.5 62.1 33.2 -6.3 44.4 67 79 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.190 42.1 -70.4 -84.7-180.0 33.5 -5.1 40.8 68 80 A K - 0 0 43 746,-0.1 73,-0.5 253,-0.1 2,-0.4 -0.555 56.7-135.0 -69.4 131.7 35.9 -2.6 39.4 69 81 A R E -a 321 0A 16 251,-2.9 253,-1.6 -2,-0.3 2,-0.6 -0.764 9.2-149.5 -96.4 133.9 35.0 0.8 40.7 70 82 A I E -ab 322 142A 1 71,-2.5 73,-3.3 -2,-0.4 2,-0.6 -0.892 10.3-166.9-103.8 121.2 34.8 3.9 38.6 71 83 A Y E -ab 323 143A 3 251,-3.5 253,-2.7 -2,-0.6 2,-0.9 -0.924 3.4-162.4-110.7 114.0 35.5 7.2 40.3 72 84 A Y E -ab 324 144A 0 71,-2.8 73,-2.3 -2,-0.6 2,-0.5 -0.814 9.2-163.8 -98.9 100.9 34.6 10.4 38.4 73 85 A L E +ab 325 145A 1 251,-1.9 253,-2.0 -2,-0.9 2,-0.3 -0.723 22.8 149.8 -88.2 125.4 36.5 13.3 39.9 74 86 A S - 0 0 1 71,-2.0 73,-0.2 -2,-0.5 253,-0.1 -0.991 46.6-146.4-153.5 144.0 35.1 16.7 39.0 75 87 A L S S+ 0 0 1 251,-0.4 2,-0.4 -2,-0.3 72,-0.1 0.476 91.5 57.9 -88.2 -1.5 35.0 20.1 40.7 76 88 A E + 0 0 8 48,-0.1 2,-0.3 250,-0.1 44,-0.2 -0.992 49.1 168.2-135.7 135.9 31.7 20.6 38.9 77 89 A F E -J 119 0B 4 42,-2.5 2,-1.7 -2,-0.4 42,-0.7 -0.819 16.1-163.7-143.1 94.5 28.4 18.7 38.8 78 90 A Y E +J 118 0B 15 47,-2.5 40,-0.2 -2,-0.3 51,-0.1 -0.554 26.3 158.2 -83.3 77.8 25.6 20.8 37.1 79 91 A M E - 0 0 29 -2,-1.7 -1,-0.2 38,-0.7 39,-0.2 0.858 20.3-168.6 -72.6 -43.3 22.7 18.7 38.4 80 92 A G E -J 117 0B 0 37,-1.5 37,-0.6 2,-0.0 -1,-0.1 -0.454 54.9 -15.5 80.8-162.3 19.6 21.0 38.2 81 93 A R - 0 0 29 35,-0.2 4,-0.2 1,-0.1 35,-0.1 -0.451 56.9-164.8 -73.6 150.1 16.3 20.0 39.9 82 94 A T > + 0 0 32 -2,-0.1 4,-1.0 2,-0.1 -1,-0.1 0.451 64.4 82.7-118.5 3.7 16.1 16.3 40.9 83 95 A L H > S+ 0 0 0 2,-0.2 4,-1.6 28,-0.1 3,-0.2 0.965 97.7 37.1 -71.5 -54.3 12.4 15.6 41.7 84 96 A Q H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.913 114.4 56.2 -66.1 -41.8 11.0 15.0 38.2 85 97 A N H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 108.2 48.6 -59.8 -31.7 14.1 13.2 37.0 86 98 A T H X S+ 0 0 5 -4,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.860 111.0 49.8 -75.4 -37.1 13.8 10.7 39.9 87 99 A M H <>S+ 0 0 0 -4,-1.6 5,-3.3 2,-0.2 6,-0.7 0.923 111.8 49.7 -65.6 -44.5 10.1 10.1 39.1 88 100 A V H ><5S+ 0 0 2 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.915 112.3 45.5 -61.4 -45.1 11.0 9.5 35.5 89 101 A N H 3<5S+ 0 0 0 -4,-1.9 133,-2.5 1,-0.2 135,-0.3 0.686 117.6 44.4 -74.2 -17.0 13.8 7.0 36.3 90 102 A L T 3<5S- 0 0 17 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.282 110.9-119.1-106.4 5.0 11.6 5.2 38.8 91 103 A A T < 5S+ 0 0 34 -3,-0.9 -85,-0.3 -4,-0.3 -3,-0.2 0.916 79.1 123.0 55.0 47.7 8.5 5.2 36.6 92 104 A L >< + 0 0 15 -5,-3.3 4,-2.6 -8,-0.2 5,-0.3 0.499 32.4 98.4-113.5 -11.6 6.7 7.2 39.2 93 105 A E H > S+ 0 0 3 -6,-0.7 4,-1.8 1,-0.2 -88,-0.2 0.851 87.4 39.5 -49.6 -49.7 5.6 10.4 37.3 94 106 A N H > S+ 0 0 6 -90,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.913 115.5 51.5 -70.7 -42.7 1.9 9.4 36.4 95 107 A A H > S+ 0 0 3 -89,-0.4 4,-2.8 -91,-0.4 -2,-0.2 0.911 114.6 44.1 -59.3 -42.3 1.2 7.8 39.8 96 108 A C H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.832 112.3 52.6 -71.4 -34.0 2.5 11.0 41.5 97 109 A D H X S+ 0 0 42 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.919 113.7 43.9 -65.9 -44.6 0.6 13.2 39.1 98 110 A E H X S+ 0 0 62 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.972 114.1 48.7 -63.4 -56.7 -2.6 11.3 39.8 99 111 A A H X S+ 0 0 4 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.876 113.6 45.0 -52.5 -47.4 -2.0 11.2 43.6 100 112 A T H <>S+ 0 0 2 -4,-2.2 5,-3.3 2,-0.2 -1,-0.2 0.847 111.4 55.3 -67.9 -33.5 -1.2 14.9 43.9 101 113 A Y H ><5S+ 0 0 167 -4,-1.6 3,-2.0 -5,-0.2 -2,-0.2 0.949 108.1 47.4 -61.7 -48.9 -4.2 15.7 41.7 102 114 A Q H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.4 56.4 -62.4 -29.7 -6.5 13.7 44.0 103 115 A L T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.482 124.9-110.4 -79.2 -1.9 -4.9 15.7 46.9 104 116 A G T < 5S+ 0 0 61 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.769 77.2 122.1 79.5 29.3 -6.0 18.7 44.9 105 117 A L < - 0 0 26 -5,-3.3 2,-0.7 -8,-0.1 -1,-0.3 -0.892 62.6-124.4-124.9 154.1 -2.6 20.0 43.9 106 118 A D > - 0 0 91 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 -0.858 16.3-158.9 -97.1 114.0 -0.9 20.7 40.6 107 119 A M H > S+ 0 0 2 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.863 91.0 56.0 -60.0 -39.2 2.4 18.7 40.4 108 120 A E H > S+ 0 0 91 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.845 105.2 52.8 -62.1 -35.4 3.9 21.0 37.8 109 121 A E H 4 S+ 0 0 112 -3,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.842 110.3 47.8 -68.1 -34.9 3.4 24.0 40.1 110 122 A L H >< S+ 0 0 0 -4,-1.3 3,-1.2 1,-0.2 4,-0.4 0.821 104.9 59.3 -74.9 -34.7 5.2 22.1 42.9 111 123 A E H >< S+ 0 0 20 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.862 97.0 61.3 -62.8 -36.4 8.1 21.1 40.6 112 124 A E T 3< S+ 0 0 70 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.646 93.8 66.2 -65.7 -15.1 8.8 24.8 39.9 113 125 A I T < S+ 0 0 34 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.2 0.691 77.0 100.7 -80.8 -20.1 9.5 25.3 43.6 114 126 A E S < S- 0 0 10 -3,-1.3 2,-0.2 -4,-0.4 -33,-0.1 -0.502 73.4-129.0 -71.4 128.9 12.6 23.1 43.6 115 127 A E - 0 0 63 -2,-0.3 2,-0.1 55,-0.2 -1,-0.1 -0.500 25.4-109.8 -76.9 143.9 15.9 25.1 43.5 116 128 A D - 0 0 13 -2,-0.2 2,-1.3 -35,-0.1 -35,-0.2 -0.417 17.6-127.7 -71.1 148.3 18.5 24.0 40.9 117 129 A A E -J 80 0B 11 -37,-0.6 -37,-1.5 -2,-0.1 2,-1.2 -0.769 34.8-179.4 -94.1 85.5 21.7 22.3 42.1 118 130 A G E +J 78 0B 3 -2,-1.3 35,-2.7 1,-0.2 2,-0.4 -0.305 27.5 140.1 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36,-0.2 36,-1.2 37,-0.1 -0.147 94.3 -60.8 72.1-172.6 39.8 18.3 33.1 328 340 A T T > S+ 0 0 4 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.406 109.5 98.5 -86.6 3.6 43.0 19.2 35.0 329 341 A H T < S+ 0 0 20 -3,-0.5 3,-0.3 1,-0.3 -1,-0.2 0.844 91.2 36.7 -59.3 -39.3 41.1 20.5 38.0 330 342 A P T > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.124 83.2 119.4-100.0 21.9 41.6 17.2 40.0 331 343 A S T X + 0 0 0 -3,-1.6 3,-1.6 1,-0.3 -2,-0.1 0.674 56.2 75.1 -59.3 -22.7 45.1 16.7 38.5 332 344 A L T 3> S+ 0 0 0 -3,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.551 75.7 84.0 -69.6 -3.3 46.7 16.7 42.0 333 345 A A H <> S+ 0 0 1 -3,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.859 85.3 56.7 -64.3 -34.6 45.2 13.2 42.3 334 346 A I H <> S+ 0 0 0 -3,-1.6 4,-1.9 2,-0.2 3,-0.2 0.986 112.9 34.6 -62.7 -62.6 48.3 12.0 40.4 335 347 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.762 118.4 55.7 -67.2 -19.4 51.1 13.3 42.8 336 348 A E H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.848 105.2 50.2 -78.4 -34.9 48.7 12.6 45.7 337 349 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -3,-0.2 5,-0.2 0.911 113.0 48.1 -66.8 -40.7 48.3 9.0 44.8 338 350 A M H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 5,-0.5 0.917 108.4 54.4 -64.0 -44.7 52.1 8.8 44.5 339 351 A R H X>S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 5,-0.9 0.906 112.0 43.3 -56.9 -45.6 52.6 10.5 47.9 340 352 A V H X>S+ 0 0 13 -4,-2.0 5,-2.8 3,-0.2 4,-1.3 0.959 117.1 44.5 -66.7 -52.4 50.3 8.0 49.7 341 353 A L H <5S+ 0 0 0 -4,-2.4 6,-2.3 3,-0.2 -2,-0.2 0.914 125.8 32.7 -57.9 -46.4 51.8 4.9 48.0 342 354 A V H <5S+ 0 0 27 -4,-3.1 4,-0.3 4,-0.3 -3,-0.2 0.964 129.1 31.3 -77.2 -57.8 55.4 6.0 48.4 343 355 A D H <5S+ 0 0 9 -4,-2.1 -3,-0.2 -5,-0.5 -2,-0.1 0.887 134.9 23.2 -72.3 -41.5 55.4 8.0 51.7 344 356 A L T < - 0 0 92 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.493 36.7-108.3 -77.4 155.3 59.1 1.8 45.6 349 361 A W H > S+ 0 0 36 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.927 115.2 47.9 -45.9 -59.4 58.8 4.7 43.2 350 362 A D H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.809 111.8 48.0 -56.5 -37.3 58.6 2.6 40.0 351 363 A K H > S+ 0 0 34 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.913 114.7 47.7 -70.3 -41.9 55.9 0.2 41.3 352 364 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.903 111.5 49.8 -64.1 -43.6 53.9 3.2 42.6 353 365 A W H X S+ 0 0 56 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.904 109.2 52.2 -63.1 -41.5 54.2 5.0 39.3 354 366 A E H X S+ 0 0 93 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.960 111.9 46.3 -58.4 -50.6 53.1 2.0 37.4 355 367 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.937 113.4 49.2 -57.8 -48.2 50.1 1.7 39.6 356 368 A T H >X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 3,-0.6 0.921 110.9 47.4 -59.8 -49.1 49.3 5.4 39.3 357 369 A V H 3< S+ 0 0 26 -4,-2.8 81,-0.9 1,-0.2 -1,-0.2 0.866 111.4 54.5 -61.7 -33.9 49.5 5.6 35.5 358 370 A K H 3< S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.722 113.0 38.4 -75.5 -22.1 47.4 2.5 35.2 359 371 A T H << S+ 0 0 3 -4,-1.2 -36,-2.5 -3,-0.6 2,-0.3 0.724 103.5 77.8-100.7 -21.3 44.4 3.8 37.3 360 372 A C E < +g 323 0A 1 -4,-1.8 78,-2.2 76,-0.3 79,-0.4 -0.671 49.4 176.0 -95.0 142.3 44.3 7.4 36.1 361 373 A A E -g 324 0A 2 -38,-1.6 -36,-3.2 -2,-0.3 2,-0.4 -0.993 16.6-144.3-141.4 141.9 42.9 8.8 32.8 362 374 A Y E -gh 325 440A 1 77,-2.6 79,-2.0 -2,-0.3 2,-0.5 -0.899 4.2-157.2-117.9 138.8 42.5 12.4 31.8 363 375 A T E -gh 326 441A 0 -38,-2.3 -36,-1.2 -2,-0.4 2,-0.4 -0.950 9.9-154.1-114.2 123.2 39.9 14.3 29.7 364 376 A N + 0 0 4 77,-2.5 79,-0.2 -2,-0.5 3,-0.1 -0.785 13.6 178.5 -96.0 137.7 40.7 17.5 27.9 365 377 A H + 0 0 22 -2,-0.4 296,-0.4 1,-0.2 2,-0.3 0.499 57.8 25.2-117.5 -6.2 37.9 20.0 27.3 366 378 A T - 0 0 7 295,-0.1 -1,-0.2 294,-0.1 294,-0.1 -0.998 41.6-157.3-158.2 156.9 39.5 23.1 25.5 367 379 A V + 0 0 29 292,-0.4 -1,-0.1 -2,-0.3 293,-0.1 0.409 59.4 113.2-113.8 -2.3 42.4 24.3 23.4 368 380 A I >> - 0 0 10 291,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.586 65.5-135.5 -76.7 131.7 42.4 28.0 24.3 369 381 A P G >4 S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.794 100.2 59.9 -52.3 -39.4 45.5 29.1 26.2 370 382 A E G 34 S+ 0 0 51 1,-0.2 -96,-2.9 -98,-0.1 -2,-0.0 0.594 100.9 56.6 -71.1 -9.8 43.7 31.2 28.8 371 383 A A G <4 S+ 0 0 14 -3,-1.8 -98,-0.3 -98,-0.3 -1,-0.2 0.630 85.0 103.9 -93.0 -16.8 41.8 28.1 29.9 372 384 A L S << S- 0 0 15 -3,-1.0 2,-0.7 -4,-0.5 -98,-0.1 -0.462 73.5-126.1 -71.4 132.0 44.9 26.1 30.7 373 385 A E + 0 0 5 -2,-0.2 56,-1.9 -100,-0.0 2,-0.5 -0.709 35.2 166.6 -84.4 114.0 45.9 25.6 34.3 374 386 A R E -N 428 0F 72 -2,-0.7 54,-0.2 54,-0.2 -98,-0.1 -0.897 20.7-157.1-127.5 97.9 49.5 26.8 35.0 375 387 A W E -N 427 0F 0 52,-1.5 52,-1.9 -2,-0.5 5,-0.1 -0.633 21.3-115.0 -83.7 126.7 50.1 27.1 38.8 376 388 A P E >> -N 426 0F 13 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.331 21.1-132.5 -57.8 133.7 52.9 29.3 40.0 377 389 A V H 3> S+ 0 0 8 48,-2.7 4,-2.9 1,-0.3 5,-0.2 0.816 102.9 63.5 -58.7 -33.6 55.5 27.2 41.8 378 390 A H H 3> S+ 0 0 108 47,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.785 102.9 51.1 -65.0 -23.4 55.7 29.5 44.8 379 391 A L H <> S+ 0 0 21 -3,-1.3 4,-2.6 2,-0.2 5,-0.3 0.934 113.3 41.6 -76.6 -48.6 52.0 28.7 45.5 380 392 A L H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 8,-0.3 0.887 111.6 59.4 -62.9 -40.2 52.5 24.9 45.4 381 393 A E H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.4 34.1 -55.5 -41.5 55.8 25.4 47.3 382 394 A T H < S+ 0 0 77 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.874 127.4 35.2 -83.4 -45.4 54.0 27.0 50.3 383 395 A L H < S+ 0 0 0 -4,-2.6 -192,-2.3 1,-0.2 -3,-0.2 0.906 133.6 17.6 -80.3 -46.4 50.7 25.1 50.2 384 396 A L X + 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 -0.616 67.6 167.5-129.7 72.3 51.7 21.6 49.2 385 397 A P H > S+ 0 0 19 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.874 77.5 47.1 -53.6 -46.0 55.5 21.2 49.7 386 398 A R H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.859 107.7 56.4 -67.8 -35.3 55.7 17.5 49.2 387 399 A H H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.828 104.7 52.9 -65.0 -31.8 53.6 17.4 46.1 388 400 A L H X S+ 0 0 10 -4,-1.4 4,-2.4 -8,-0.3 -1,-0.2 0.904 108.6 50.3 -68.8 -41.5 56.0 19.9 44.4 389 401 A Q H X S+ 0 0 65 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.898 111.5 47.8 -61.3 -43.0 58.8 17.6 45.2 390 402 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.870 111.3 51.5 -66.9 -36.9 56.9 14.6 43.7 391 403 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.878 108.8 49.8 -68.0 -39.4 56.1 16.7 40.7 392 404 A Y H X S+ 0 0 70 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.903 112.4 48.4 -64.9 -41.5 59.8 17.7 40.1 393 405 A E H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.852 110.6 50.5 -66.8 -36.7 60.7 14.0 40.4 394 406 A I H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 112.3 47.8 -66.9 -42.5 58.0 13.0 38.0 395 407 A N H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.921 108.9 54.5 -62.0 -47.7 59.3 15.7 35.5 396 408 A Q H X S+ 0 0 116 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.946 113.1 40.5 -51.5 -56.1 62.9 14.5 36.0 397 409 A R H X S+ 0 0 95 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.830 115.4 51.8 -66.0 -33.5 62.1 10.9 35.1 398 410 A F H X S+ 0 0 10 -4,-2.0 4,-1.7 2,-0.2 3,-0.3 0.925 108.5 49.6 -69.8 -44.9 59.7 11.8 32.2 399 411 A L H X S+ 0 0 31 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.841 106.3 56.8 -64.6 -31.2 62.2 14.2 30.5 400 412 A N H X S+ 0 0 107 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.863 104.8 53.3 -66.1 -33.4 64.8 11.5 30.7 401 413 A R H X S+ 0 0 109 -4,-1.1 4,-1.2 -3,-0.3 -2,-0.2 0.903 111.0 46.0 -66.0 -41.8 62.4 9.3 28.8 402 414 A V H >X S+ 0 0 0 -4,-1.7 4,-3.6 2,-0.2 3,-0.5 0.943 110.2 51.6 -67.3 -49.7 62.1 12.0 26.1 403 415 A A H 3< S+ 0 0 36 -4,-3.0 6,-0.2 1,-0.3 -2,-0.2 0.933 110.9 50.1 -53.5 -45.7 65.8 12.6 25.9 404 416 A A H 3< S+ 0 0 82 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.800 115.9 42.2 -63.8 -29.1 66.3 8.9 25.4 405 417 A A H << S+ 0 0 50 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.819 126.8 30.4 -86.9 -35.0 63.6 8.8 22.7 406 418 A F S >< S- 0 0 48 -4,-3.6 3,-1.9 -5,-0.1 -1,-0.2 -0.628 84.1-157.7-126.7 74.0 64.7 12.0 20.9 407 419 A P T 3 S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.242 77.0 5.5 -54.4 124.6 68.5 12.3 21.4 408 420 A G T 3 S+ 0 0 78 1,-0.2 2,-2.3 -5,-0.1 3,-0.2 0.265 86.5 130.6 85.8 -13.7 69.7 15.9 21.0 409 421 A D <> + 0 0 56 -3,-1.9 4,-1.2 -6,-0.2 -1,-0.2 -0.468 25.1 165.8 -75.8 77.6 66.2 17.4 20.7 410 422 A V H > + 0 0 111 -2,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.742 68.9 51.8 -67.8 -26.9 66.9 20.1 23.3 411 423 A D H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.851 104.5 55.7 -78.0 -36.3 63.9 22.3 22.4 412 424 A R H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.855 103.1 59.2 -61.3 -33.4 61.5 19.4 22.6 413 425 A L H X S+ 0 0 49 -4,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.918 109.1 40.3 -62.3 -45.8 62.8 18.9 26.1 414 426 A R H < S+ 0 0 162 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 113.7 55.4 -73.2 -32.2 61.8 22.4 27.3 415 427 A R H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 112.0 42.1 -66.6 -38.1 58.5 22.3 25.4 416 428 A M H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.598 86.2 122.0 -86.9 -13.3 57.4 19.0 27.1 417 429 A S < - 0 0 16 -4,-0.8 14,-0.1 -5,-0.2 11,-0.1 -0.111 60.2-143.8 -51.1 145.0 58.6 20.0 30.6 418 430 A L S S+ 0 0 0 -27,-0.1 10,-3.3 13,-0.1 2,-0.5 0.711 90.5 71.5 -80.7 -21.7 55.9 20.0 33.3 419 431 A V E S-O 427 0F 13 8,-0.2 2,-0.5 -27,-0.1 8,-0.2 -0.849 74.9-155.2 -98.2 123.7 57.8 23.0 34.7 420 432 A E E -O 426 0F 57 6,-3.2 6,-1.9 -2,-0.5 2,-0.2 -0.875 8.4-152.3-101.9 123.4 57.5 26.3 32.7 421 433 A E + 0 0 131 -2,-0.5 2,-0.3 4,-0.2 3,-0.1 -0.545 46.6 75.6 -90.9 157.0 60.4 28.8 33.1 422 434 A G S S- 0 0 55 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.995 94.4 -2.3 146.8-150.7 60.0 32.5 32.7 423 435 A A S S- 0 0 113 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.921 139.4 -0.6 -36.6 -70.4 58.6 35.5 34.6 424 436 A V S S- 0 0 54 -3,-0.1 2,-0.2 -47,-0.0 -1,-0.2 -0.944 88.3-109.4-123.6 144.0 57.5 33.1 37.3 425 437 A K - 0 0 79 -2,-0.4 -48,-2.7 -3,-0.1 -47,-0.4 -0.541 42.3-175.1 -72.1 138.3 58.0 29.3 37.2 426 438 A R E -NO 376 420F 83 -6,-1.9 -6,-3.2 -50,-0.3 2,-0.5 -0.889 25.6-127.1-131.8 161.2 54.7 27.5 36.7 427 439 A I E -NO 375 419F 0 -52,-1.9 -52,-1.5 -2,-0.3 2,-1.0 -0.956 21.4-137.6-111.0 127.4 53.6 23.9 36.7 428 440 A N E >> -N 374 0F 8 -10,-3.3 4,-1.6 -2,-0.5 3,-0.5 -0.760 14.9-165.2 -87.0 101.3 51.7 22.9 33.5 429 441 A M H 3> S+ 0 0 0 -56,-1.9 4,-1.9 -2,-1.0 -1,-0.2 0.806 84.2 56.3 -58.3 -33.0 48.9 20.7 35.0 430 442 A A H 3> S+ 0 0 0 -57,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.873 104.8 51.2 -68.1 -38.8 47.9 19.3 31.6 431 443 A H H <> S+ 0 0 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468A 0 -79,-2.0 -77,-2.5 -2,-0.4 28,-0.3 -0.902 19.6-143.6-127.7 154.5 40.9 11.9 25.4 442 454 A G E - i 0 469A 0 26,-1.5 28,-1.3 -2,-0.3 -77,-0.1 -0.483 24.6-126.7 -95.6 174.0 39.3 14.8 23.4 443 455 A V S S+ 0 0 2 1,-0.2 29,-2.6 -2,-0.2 2,-0.3 0.364 87.6 22.0-109.3 5.4 35.5 15.4 23.5 444 456 A A S > S- 0 0 0 27,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.957 85.7-104.2-163.0 153.8 34.8 15.4 19.8 445 457 A R H > S+ 0 0 89 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.889 117.5 42.7 -53.2 -50.7 36.6 14.0 16.8 446 458 A I H > S+ 0 0 36 236,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.874 114.6 51.2 -66.8 -35.6 38.0 17.2 15.4 447 459 A H H > S+ 0 0 4 214,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.903 109.8 50.6 -65.8 -42.1 39.1 18.5 18.9 448 460 A S H X S+ 0 0 5 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.833 111.2 48.0 -65.4 -34.5 40.8 15.1 19.5 449 461 A E H X S+ 0 0 66 -4,-1.6 4,-2.3 -5,-0.2 3,-0.3 0.905 108.5 54.7 -72.0 -39.9 42.7 15.4 16.2 450 462 A I H X S+ 0 0 28 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.874 103.6 56.1 -60.7 -36.8 43.7 19.0 17.0 451 463 A L H <>S+ 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33.3 20.6 17.6 683 695 A A T 3> S+ 0 0 0 -21,-1.5 4,-2.2 1,-0.3 3,-0.3 0.577 117.0 89.4 -69.6 -9.1 30.6 18.0 17.5 684 696 A N H <> S+ 0 0 8 -3,-1.8 4,-2.5 -22,-0.3 -1,-0.3 0.859 85.6 55.3 -55.1 -35.2 28.8 20.0 14.8 685 697 A V H <> S+ 0 0 33 -3,-1.3 4,-1.5 -4,-0.4 -1,-0.2 0.895 109.1 44.1 -64.5 -43.3 30.9 18.1 12.3 686 698 A E H > S+ 0 0 3 -4,-0.4 4,-1.4 -3,-0.3 -1,-0.2 0.801 113.2 52.5 -73.5 -29.2 29.8 14.7 13.6 687 699 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.938 112.0 43.6 -71.5 -47.7 26.1 15.9 13.8 688 700 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 7,-0.2 0.824 113.0 54.1 -65.6 -32.3 26.0 17.1 10.2 689 701 A E H < S+ 0 0 94 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.858 111.7 45.2 -69.9 -33.6 27.8 14.0 9.2 690 702 A E H < S+ 0 0 49 -4,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.875 122.7 33.6 -77.6 -39.7 25.1 11.9 11.0 691 703 A A H < S- 0 0 10 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.687 118.8-102.9 -90.2 -18.9 22.1 13.9 9.6 692 704 A G >< - 0 0 15 -4,-2.0 3,-1.8 -5,-0.3 -3,-0.2 0.205 24.4-102.7 101.7 134.1 23.6 14.7 6.2 693 705 A E G > S+ 0 0 118 1,-0.3 3,-1.1 2,-0.2 5,-0.3 0.731 118.7 67.0 -62.7 -19.3 25.0 18.1 5.3 694 706 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.704 100.9 48.2 -72.4 -21.3 21.8 18.8 3.3 695 707 A N G < S+ 0 0 9 -3,-1.8 -19,-0.4 -7,-0.2 2,-0.3 0.152 106.1 74.0-104.3 16.0 19.8 18.8 6.6 696 708 A F S < S- 0 0 6 -3,-1.1 2,-1.0 -21,-0.1 -19,-0.1 -0.959 75.2-135.4-129.8 145.8 22.2 21.1 8.3 697 709 A F E +u 677 0H 11 -21,-2.3 -19,-2.2 -2,-0.3 2,-0.3 -0.667 36.7 172.9-103.6 79.0 22.9 24.8 7.8 698 710 A I E +u 678 0H 23 -2,-1.0 2,-0.3 -5,-0.3 -19,-0.2 -0.696 4.1 155.7 -90.2 137.5 26.7 25.0 7.7 699 711 A F + 0 0 1 -21,-1.7 -19,-0.4 -2,-0.3 69,-0.1 -0.863 26.8 34.8-146.9 177.2 28.6 28.2 6.9 700 712 A G S S- 0 0 2 -2,-0.3 64,-0.1 64,-0.1 -20,-0.1 0.048 86.9 -18.3 71.8-174.8 31.9 30.0 7.4 701 713 A M - 0 0 19 1,-0.1 -21,-0.4 4,-0.1 -44,-0.3 -0.277 53.7-141.2 -66.2 148.6 35.5 29.1 7.6 702 714 A R > - 0 0 80 -23,-0.1 4,-1.7 -45,-0.1 3,-0.3 -0.496 41.4 -89.6 -99.4 176.1 36.7 25.6 8.3 703 715 A V H > S+ 0 0 27 -23,-0.3 4,-2.0 1,-0.2 3,-0.3 0.930 128.8 53.7 -53.4 -46.3 39.7 25.1 10.6 704 716 A E H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 105.7 51.3 -56.3 -42.3 42.0 25.2 7.5 705 717 A D H > S+ 0 0 49 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.856 107.4 54.2 -65.5 -35.7 40.7 28.6 6.3 706 718 A V H X S+ 0 0 14 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.938 110.8 45.1 -63.4 -47.0 41.2 30.0 9.8 707 719 A D H X S+ 0 0 80 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.886 110.1 54.4 -64.1 -40.2 44.9 29.0 9.8 708 720 A R H X S+ 0 0 162 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.939 109.6 48.7 -58.5 -46.2 45.3 30.2 6.2 709 721 A L H X S+ 0 0 7 -4,-2.2 4,-3.8 1,-0.2 -1,-0.2 0.848 109.4 52.1 -62.5 -37.2 44.0 33.6 7.4 710 722 A D H < S+ 0 0 83 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.859 107.5 50.9 -69.0 -36.4 46.4 33.6 10.4 711 723 A Q H < S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.967 118.0 41.2 -60.9 -50.7 49.4 32.9 8.2 712 724 A R H < S- 0 0 156 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.915 121.5-109.2 -59.8 -50.7 48.2 35.8 6.0 713 725 A G < - 0 0 38 -4,-3.8 2,-0.6 -5,-0.1 -3,-0.2 0.184 24.1-106.0 116.3 122.4 47.3 38.1 8.9 714 726 A Y - 0 0 47 -4,-0.1 2,-0.6 -2,-0.1 43,-0.1 -0.689 35.6-179.1 -83.5 120.4 43.7 39.0 9.9 715 727 A N >> - 0 0 88 -2,-0.6 3,-1.0 1,-0.1 4,-0.6 -0.907 11.6-171.9-122.1 102.5 42.8 42.5 9.0 716 728 A A H >> S+ 0 0 4 -2,-0.6 4,-2.1 38,-0.4 3,-0.8 0.804 80.5 71.3 -61.5 -32.0 39.2 43.4 10.0 717 729 A Q H 3> S+ 0 0 70 37,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.829 89.9 61.9 -53.9 -36.5 39.4 46.7 8.1 718 730 A E H <> S+ 0 0 53 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.896 107.3 42.7 -57.3 -45.1 39.3 44.8 4.8 719 731 A Y H S+ 0 0 80 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.862 87.3 54.9 -62.3 -39.0 28.6 48.4 3.2 725 737 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.906 111.6 45.2 -62.4 -40.1 26.0 46.6 5.4 726 738 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.926 112.4 51.3 -67.7 -45.2 28.8 45.7 7.9 727 739 A R H X S+ 0 0 80 -4,-2.4 4,-2.1 -7,-0.3 5,-0.2 0.931 107.2 54.1 -56.4 -47.4 30.2 49.3 7.7 728 740 A Q H X S+ 0 0 91 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.852 108.5 49.4 -56.7 -38.8 26.7 50.7 8.4 729 741 A I H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.900 109.7 49.4 -69.1 -43.5 26.4 48.6 11.6 730 742 A I H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.861 111.2 49.6 -65.3 -35.3 29.8 49.5 13.0 731 743 A E H X S+ 0 0 102 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.769 107.6 55.7 -75.5 -22.7 29.1 53.2 12.5 732 744 A Q H <>S+ 0 0 22 -4,-1.0 5,-2.0 -5,-0.2 6,-0.6 0.895 111.2 43.1 -72.1 -42.3 25.8 52.8 14.2 733 745 A L H ><5S+ 0 0 3 -4,-1.9 3,-0.5 1,-0.2 13,-0.4 0.873 115.1 50.9 -68.8 -39.8 27.5 51.4 17.3 734 746 A S H 3<5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.847 110.4 47.7 -67.8 -37.1 30.2 54.0 17.1 735 747 A S T 3<5S- 0 0 87 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.467 116.0-104.7 -88.3 -2.1 27.8 57.0 16.8 736 748 A G T X 5S+ 0 0 6 -3,-0.5 3,-1.0 -4,-0.5 -3,-0.2 0.612 72.5 139.8 91.8 11.4 25.5 56.0 19.7 737 749 A F T 3 S+ 0 0 90 -6,-0.1 3,-1.8 1,-0.1 -1,-0.3 -0.739 70.9 177.6-128.8 82.5 26.1 57.4 26.3 743 755 A P T 3 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 -7,-0.2 0.726 81.9 46.2 -57.1 -27.5 27.3 57.6 22.7 744 756 A D T > S+ 0 0 97 1,-0.2 3,-1.6 -9,-0.1 4,-0.2 0.221 78.1 112.3-102.2 14.9 30.7 56.1 23.4 745 757 A L T < S+ 0 0 27 -3,-1.8 3,-0.4 -6,-0.3 -1,-0.2 0.842 80.1 42.5 -54.5 -40.2 29.4 53.2 25.5 746 758 A F T 3> S+ 0 0 1 -13,-0.4 4,-2.0 -3,-0.3 -1,-0.3 -0.026 75.8 114.2-101.3 31.6 30.3 50.6 23.0 747 759 A K H <> S+ 0 0 118 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.845 74.3 56.9 -69.2 -33.5 33.8 51.8 22.0 748 760 A D H > S+ 0 0 58 -3,-0.4 4,-2.2 -4,-0.2 -1,-0.2 0.875 108.4 46.5 -64.9 -38.4 35.5 48.8 23.5 749 761 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.950 116.0 43.5 -68.9 -50.4 33.5 46.4 21.4 750 762 A V H X S+ 0 0 14 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.927 114.7 50.9 -60.1 -45.6 34.0 48.4 18.1 751 763 A N H X S+ 0 0 73 -4,-2.8 4,-2.3 1,-0.2 5,-0.5 0.924 113.6 45.1 -56.8 -48.7 37.7 48.9 19.0 752 764 A M H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 111.2 51.9 -60.8 -51.5 38.1 45.1 19.7 753 765 A L H < S+ 0 0 2 -4,-2.9 9,-0.2 1,-0.2 -1,-0.2 0.773 117.8 39.2 -56.4 -33.2 36.2 44.0 16.5 754 766 A M H < S+ 0 0 29 -4,-1.8 -38,-0.4 -5,-0.2 -37,-0.4 0.780 133.2 15.9 -90.2 -31.5 38.4 46.3 14.3 755 767 A H H < S+ 0 0 128 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.708 130.8 25.6-119.5 -26.7 41.8 45.8 16.0 756 768 A H < + 0 0 120 -4,-2.2 2,-1.1 -5,-0.5 -3,-0.2 -0.174 64.8 149.3-136.4 47.9 42.0 42.8 18.3 757 769 A D > - 0 0 12 -4,-0.2 3,-0.9 1,-0.2 -4,-0.1 -0.707 17.3-179.9 -83.9 102.0 39.5 40.2 17.2 758 770 A R T 3 S+ 0 0 122 -2,-1.1 -1,-0.2 1,-0.2 -5,-0.0 0.679 83.5 47.1 -72.6 -18.9 41.0 36.9 18.1 759 771 A F T 3 S- 0 0 9 -3,-0.1 -1,-0.2 -199,-0.1 -102,-0.1 0.168 101.8-130.3-113.3 22.2 37.9 35.1 16.8 760 772 A K <> + 0 0 7 -3,-0.9 4,-0.6 1,-0.1 3,-0.3 0.795 34.0 175.0 28.2 66.5 37.6 36.9 13.4 761 773 A V H >> S+ 0 0 3 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.908 76.0 53.1 -59.5 -47.5 33.8 37.8 13.7 762 774 A F H 3> S+ 0 0 1 -9,-0.2 4,-0.6 1,-0.2 3,-0.4 0.781 97.3 66.4 -61.1 -32.3 33.9 39.9 10.4 763 775 A A H 34 S+ 0 0 20 -3,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.745 109.0 36.9 -64.5 -23.7 35.4 37.0 8.4 764 776 A D H S+ 0 0 95 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.787 111.8 56.6 -68.2 -28.6 28.4 33.7 4.8 768 780 A Y H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 110.7 39.7 -69.8 -47.8 26.5 33.8 8.0 769 781 A V H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.875 115.2 54.0 -71.3 -33.6 23.7 36.2 6.9 770 782 A K H X S+ 0 0 91 -4,-1.9 4,-1.1 -5,-0.3 3,-0.3 0.940 111.5 45.4 -61.3 -47.0 23.7 34.5 3.5 771 783 A C H X S+ 0 0 2 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.834 107.7 57.3 -65.3 -35.1 23.1 31.2 5.3 772 784 A Q H X S+ 0 0 1 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.809 100.4 58.5 -66.7 -29.4 20.5 32.8 7.6 773 785 A E H X S+ 0 0 88 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.878 102.7 55.3 -66.5 -35.9 18.5 33.8 4.5 774 786 A R H X S+ 0 0 128 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.799 105.4 49.3 -67.6 -31.7 18.4 30.1 3.5 775 787 A V H X S+ 0 0 0 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.840 109.7 52.8 -77.2 -30.5 16.8 29.0 6.8 776 788 A S H X S+ 0 0 24 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.900 107.2 52.6 -67.4 -39.9 14.2 31.8 6.5 777 789 A A H < S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.9 45.4 -61.6 -41.1 13.4 30.4 3.0 778 790 A L H >< S+ 0 0 29 -4,-1.4 3,-1.3 1,-0.2 7,-0.4 0.774 105.3 59.7 -75.0 -28.0 12.9 26.9 4.3 779 791 A Y H 3< S+ 0 0 45 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 94.2 66.6 -70.8 -25.0 10.8 28.1 7.3 780 792 A K T 3< S+ 0 0 137 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.610 96.6 59.8 -68.6 -12.1 8.4 29.5 4.8 781 793 A N S X> S- 0 0 74 -3,-1.3 4,-2.2 1,-0.1 3,-0.9 -0.724 70.3-175.6-119.6 78.1 7.7 25.9 3.8 782 794 A P H 3> S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.772 80.0 53.4 -40.8 -43.9 6.4 24.3 7.0 783 795 A R H 3> S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.875 112.7 41.7 -65.5 -41.7 6.2 20.8 5.5 784 796 A E H <> S+ 0 0 59 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.827 112.4 54.6 -76.8 -32.5 9.8 20.7 4.3 785 797 A W H X S+ 0 0 12 -4,-2.2 4,-1.8 -7,-0.4 -2,-0.2 0.942 111.7 45.2 -64.1 -46.0 11.1 22.3 7.5 786 798 A T H X S+ 0 0 13 -4,-2.2 4,-2.2 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