==== 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 OXIDOREDUCTASE 12-MAR-07 2P4Q . COMPND 2 MOLECULE: 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR W.HE,Y.WANG,W.LIU,C.Z.ZHOU . 476 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 1 1 1 3 2 4 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 0 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 1 A M 0 0 145 0, 0.0 2,-0.5 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0-142.1 9.5 61.4 13.6 2 2 A S + 0 0 59 62,-0.1 2,-0.1 63,-0.1 3,-0.0 -0.939 360.0 91.8-121.1 121.5 8.6 65.1 13.1 3 3 A A - 0 0 2 -2,-0.5 62,-2.5 26,-0.0 25,-0.2 -0.300 54.4-142.5 156.9 114.4 5.1 66.6 13.2 4 4 A D S S- 0 0 33 23,-1.7 2,-0.3 1,-0.2 65,-0.3 0.908 86.4 -14.3 -57.0 -45.5 3.2 68.0 16.2 5 5 A F E -a 28 0A 10 22,-1.1 24,-2.4 63,-0.1 2,-0.3 -0.972 61.4-136.5-149.3 165.3 0.0 66.5 14.8 6 6 A G E -ab 29 70A 0 63,-2.3 65,-2.5 -2,-0.3 2,-0.4 -0.901 12.2-153.7-117.3 154.8 -1.5 64.9 11.7 7 7 A L E -ab 30 71A 0 22,-2.3 24,-2.0 -2,-0.3 2,-0.4 -0.989 2.5-159.7-130.6 122.8 -4.9 65.5 10.2 8 8 A I E +ab 31 72A 0 63,-3.2 65,-2.9 -2,-0.4 24,-0.2 -0.853 64.3 57.1 -97.3 136.1 -6.8 63.0 8.1 9 9 A G - 0 0 3 22,-1.6 2,-0.3 -2,-0.4 5,-0.2 0.659 58.7-159.8 106.0 93.5 -9.5 64.3 5.8 10 10 A L + 0 0 1 4,-0.1 2,-0.1 3,-0.1 -1,-0.1 -0.331 38.8 136.0-108.1 47.4 -8.5 67.0 3.4 11 11 A A S > S- 0 0 47 62,-0.4 4,-2.2 -2,-0.3 5,-0.2 -0.269 79.6 -87.1 -69.2 174.1 -11.8 68.7 2.5 12 12 A V H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 129.5 57.6 -54.4 -43.9 -11.6 72.5 2.4 13 13 A M H > S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 110.6 39.3 -49.6 -59.1 -12.3 72.6 6.2 14 14 A G H > S+ 0 0 1 59,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 111.2 58.1 -64.8 -41.3 -9.4 70.4 7.2 15 15 A Q H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 107.5 48.5 -51.4 -46.7 -7.0 72.0 4.7 16 16 A N H X S+ 0 0 25 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.827 109.3 52.0 -68.5 -34.3 -7.6 75.4 6.4 17 17 A L H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.927 111.4 46.8 -63.8 -46.6 -7.1 74.0 9.9 18 18 A I H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.948 113.8 48.5 -58.6 -51.6 -3.7 72.5 8.8 19 19 A L H X S+ 0 0 11 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.887 111.2 50.8 -50.2 -48.0 -2.8 75.8 7.1 20 20 A N H X S+ 0 0 2 -4,-2.4 4,-0.9 114,-0.2 -2,-0.2 0.903 112.3 46.1 -59.8 -46.1 -3.9 77.7 10.3 21 21 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.4 2,-0.2 3,-0.9 0.944 111.2 52.4 -62.8 -49.2 -1.7 75.4 12.5 22 22 A A H ><5S+ 0 0 6 -4,-3.2 3,-2.3 1,-0.3 4,-0.2 0.932 107.2 52.1 -50.6 -53.2 1.3 75.7 10.1 23 23 A D H 3<5S+ 0 0 83 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.735 105.4 56.6 -56.5 -26.1 1.0 79.6 10.2 24 24 A H T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.260 129.1 -96.8 -91.6 10.9 1.1 79.3 14.0 25 25 A G T < 5S+ 0 0 60 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.841 78.6 134.9 81.1 37.3 4.4 77.4 13.8 26 26 A F < - 0 0 12 -5,-1.4 2,-0.7 -4,-0.2 -1,-0.3 -0.906 53.5-131.3-110.1 145.9 3.3 73.8 14.0 27 27 A T - 0 0 49 -2,-0.4 -23,-1.7 24,-0.1 -22,-1.1 -0.888 33.1-168.0 -91.7 119.0 4.6 71.0 11.8 28 28 A V E -ac 5 51A 0 22,-2.4 24,-2.5 -2,-0.7 2,-0.7 -0.919 18.7-143.6-114.9 136.4 1.6 69.2 10.5 29 29 A C E -ac 6 52A 0 -24,-2.4 -22,-2.3 -2,-0.4 2,-0.4 -0.896 20.4-155.2 -97.4 116.0 1.3 65.9 8.7 30 30 A A E +a 7 0A 0 22,-2.9 24,-0.4 -2,-0.7 2,-0.3 -0.741 23.0 156.6 -93.2 135.5 -1.4 65.9 6.1 31 31 A Y E -a 8 0A 13 -24,-2.0 -22,-1.6 -2,-0.4 2,-0.3 -0.963 18.0-165.5-152.1 164.7 -3.1 62.7 4.9 32 32 A N - 0 0 17 2,-0.5 -24,-0.0 -2,-0.3 6,-0.0 -0.950 42.2-104.7-146.2 164.2 -6.3 61.4 3.4 33 33 A R S S+ 0 0 118 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 0.868 113.8 29.5 -54.3 -35.2 -8.2 58.2 2.8 34 34 A T S S- 0 0 76 1,-0.1 -2,-0.5 -3,-0.0 4,-0.0 -0.184 81.1-126.8-109.8-160.8 -6.9 58.6 -0.8 35 35 A Q S >> S+ 0 0 58 -2,-0.1 3,-1.9 -4,-0.1 4,-1.7 0.736 85.1 75.4-122.9 -47.2 -3.9 60.3 -2.4 36 36 A S H 3> S+ 0 0 92 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.840 100.6 49.7 -40.2 -48.5 -4.7 62.8 -5.1 37 37 A K H 3> S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.719 108.5 52.5 -68.3 -27.1 -5.7 65.4 -2.5 38 38 A V H <> S+ 0 0 1 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.967 114.2 40.3 -71.4 -56.0 -2.6 65.0 -0.4 39 39 A D H X S+ 0 0 89 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.900 116.9 51.0 -57.2 -45.2 -0.1 65.5 -3.3 40 40 A H H X S+ 0 0 111 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.877 111.5 46.8 -61.5 -43.2 -2.3 68.3 -4.7 41 41 A F H <>S+ 0 0 1 -4,-1.5 5,-2.1 2,-0.2 3,-0.4 0.892 113.3 48.2 -67.3 -43.9 -2.5 70.1 -1.4 42 42 A L H <5S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.783 110.9 54.3 -64.6 -29.2 1.3 69.8 -0.8 43 43 A A H <5S+ 0 0 57 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.748 123.7 15.3 -74.1 -27.6 1.8 71.1 -4.4 44 44 A N T ><5S+ 0 0 94 -4,-1.1 3,-0.5 -3,-0.4 -3,-0.2 0.760 129.1 12.0-113.9 -84.8 -0.3 74.3 -3.9 45 45 A E T 3 5S+ 0 0 81 1,-0.2 -3,-0.1 -5,-0.2 -4,-0.1 0.682 124.6 52.2 -83.6 -19.9 -1.4 75.9 -0.6 46 46 A A T > S- 0 0 48 1,-0.1 4,-2.6 -25,-0.0 -1,-0.2 -0.653 77.3-118.8-107.0 167.3 0.6 55.0 4.0 57 57 A I H > S+ 0 0 39 -2,-0.2 4,-2.6 2,-0.2 5,-0.1 0.853 123.1 47.5 -67.2 -39.0 -1.5 55.0 7.2 58 58 A E H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.817 110.4 52.5 -70.9 -32.1 1.7 53.5 8.9 59 59 A D H > S+ 0 0 38 2,-0.2 4,-1.1 1,-0.1 -2,-0.2 0.959 110.5 47.0 -64.7 -52.2 3.7 56.3 7.1 60 60 A F H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.950 113.2 48.7 -49.2 -57.1 1.3 58.9 8.6 61 61 A I H >< S+ 0 0 2 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.811 109.0 54.4 -56.1 -34.4 1.5 57.3 12.0 62 62 A S H 3< S+ 0 0 54 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.705 99.1 61.5 -74.8 -23.6 5.4 57.2 11.8 63 63 A K T << S+ 0 0 42 -3,-1.2 2,-0.4 -4,-1.1 -1,-0.2 0.328 88.2 95.9 -85.8 9.2 5.7 60.9 11.1 64 64 A L S < S- 0 0 2 -3,-0.9 -60,-0.2 -4,-0.1 4,-0.1 -0.865 71.6-122.1-118.1 132.5 4.2 62.1 14.3 65 65 A K - 0 0 103 -62,-2.5 4,-0.2 -2,-0.4 -63,-0.1 0.007 53.9 -59.0 -59.8 168.8 5.7 63.1 17.7 66 66 A R S S+ 0 0 178 -65,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.838 123.3 35.1-107.9 138.8 4.9 61.3 20.9 67 67 A P S S- 0 0 28 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.582 103.4-125.6 -70.0 141.6 2.2 60.9 22.2 68 68 A R - 0 0 26 24,-0.1 28,-3.3 -4,-0.1 2,-0.6 -0.331 19.1-155.4 -65.2 132.0 0.7 60.7 18.6 69 69 A K E - d 0 96A 22 -65,-0.3 -63,-2.3 -4,-0.2 2,-0.7 -0.917 12.8-177.6-115.9 106.1 -2.1 63.2 17.9 70 70 A V E -bd 6 97A 0 26,-2.7 28,-3.5 -2,-0.6 2,-0.4 -0.911 3.9-169.4-111.8 108.4 -4.4 62.0 15.1 71 71 A M E -bd 7 98A 12 -65,-2.5 -63,-3.2 -2,-0.7 2,-0.4 -0.838 4.6-158.4 -98.9 135.6 -7.1 64.4 14.1 72 72 A L E +bd 8 99A 1 26,-3.1 28,-2.7 -2,-0.4 29,-0.5 -0.943 17.2 176.9-112.4 130.0 -9.9 63.3 11.7 73 73 A L + 0 0 24 -65,-2.9 -62,-0.4 -2,-0.4 -59,-0.2 -0.560 40.6 130.6-123.7 65.5 -12.1 65.6 9.7 74 74 A V - 0 0 24 1,-0.1 28,-0.2 -2,-0.1 3,-0.1 -0.672 66.8 -69.7-112.2 168.7 -14.2 63.1 7.8 75 75 A K - 0 0 179 -2,-0.2 5,-0.3 1,-0.1 -1,-0.1 -0.275 62.7-101.8 -55.7 139.4 -17.9 62.6 7.2 76 76 A A S S+ 0 0 42 26,-0.1 2,-0.4 3,-0.1 -1,-0.1 -0.180 83.1 29.8 -64.6 156.2 -19.8 61.6 10.3 77 77 A G S >> S+ 0 0 27 1,-0.2 4,-1.1 -3,-0.1 3,-0.8 -0.811 118.9 0.6 105.7-135.6 -20.9 58.0 11.0 78 78 A A H 3> S+ 0 0 73 -2,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.824 121.1 65.2 -67.0 -37.4 -19.2 54.8 9.9 79 79 A P H 3> S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.823 101.3 53.0 -54.7 -29.9 -16.3 56.5 8.1 80 80 A V H <> S+ 0 0 0 -3,-0.8 4,-2.1 -5,-0.3 -2,-0.2 0.920 111.5 44.8 -69.1 -43.3 -15.2 57.9 11.5 81 81 A D H X S+ 0 0 29 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.798 108.0 60.5 -67.9 -30.3 -15.2 54.3 12.9 82 82 A A H X S+ 0 0 39 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.988 108.9 40.5 -58.0 -62.2 -13.5 53.1 9.7 83 83 A L H >X S+ 0 0 3 -4,-1.9 4,-0.8 1,-0.2 3,-0.6 0.913 113.5 54.4 -52.8 -50.6 -10.4 55.3 10.4 84 84 A I H >X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 3,-1.0 0.909 107.8 50.6 -51.2 -46.8 -10.4 54.6 14.1 85 85 A N H 3< S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 113.3 43.5 -66.9 -29.8 -10.3 50.8 13.5 86 86 A Q H << S+ 0 0 73 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.435 116.8 47.8 -93.8 -1.1 -7.4 50.9 11.1 87 87 A I H X< S+ 0 0 1 -3,-1.0 3,-0.6 -4,-0.8 -2,-0.2 0.744 94.9 70.9-107.2 -38.1 -5.4 53.4 13.3 88 88 A V G >< S+ 0 0 25 -4,-2.4 3,-1.4 1,-0.2 -2,-0.1 0.863 97.7 50.4 -49.9 -46.1 -5.8 51.7 16.7 89 89 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.858 108.3 53.2 -65.5 -32.1 -3.4 48.8 15.8 90 90 A L G < S+ 0 0 50 -3,-0.6 2,-0.2 -4,-0.2 -2,-0.2 0.267 105.7 75.4 -80.6 10.8 -0.7 51.3 14.5 91 91 A L < - 0 0 21 -3,-1.4 2,-0.3 -4,-0.1 29,-0.0 -0.739 65.7-144.7-121.7 165.7 -0.9 53.1 17.9 92 92 A E > - 0 0 101 -2,-0.2 3,-1.8 1,-0.1 -24,-0.1 -0.950 44.7 -67.0-131.4 154.0 0.3 52.7 21.5 93 93 A K T 3 S+ 0 0 167 -2,-0.3 27,-0.2 1,-0.3 26,-0.1 0.020 119.0 29.3 -39.3 132.4 -1.2 53.6 24.9 94 94 A G T 3 S+ 0 0 26 25,-2.0 -1,-0.3 1,-0.4 26,-0.1 0.277 85.8 130.1 94.9 -9.6 -1.5 57.3 25.5 95 95 A D < - 0 0 3 -3,-1.8 26,-2.8 24,-0.1 2,-0.5 -0.450 53.6-129.0 -72.5 156.0 -1.8 58.2 21.8 96 96 A I E -de 69 121A 0 -28,-3.3 -26,-2.7 24,-0.2 2,-0.5 -0.931 15.7-161.5-123.0 119.2 -4.7 60.5 21.1 97 97 A I E -de 70 122A 1 24,-3.4 26,-3.4 -2,-0.5 2,-0.6 -0.884 12.6-165.5 -95.7 127.4 -7.5 60.2 18.5 98 98 A I E -de 71 123A 2 -28,-3.5 -26,-3.1 -2,-0.5 2,-0.7 -0.962 6.8-164.3-114.2 115.3 -9.3 63.5 17.8 99 99 A D E +de 72 124A 0 24,-2.8 26,-3.5 -2,-0.6 -26,-0.1 -0.896 14.4 170.6 -94.6 111.0 -12.6 63.4 16.0 100 100 A G + 0 0 0 -28,-2.7 27,-0.2 -2,-0.7 -27,-0.2 0.437 43.5 104.9-100.1 -2.6 -13.2 67.0 14.8 101 101 A G S S- 0 0 6 -29,-0.5 2,-1.8 1,-0.1 -26,-0.1 -0.123 90.6 -90.9 -71.0 171.8 -16.2 66.1 12.6 102 102 A N + 0 0 88 -28,-0.2 2,-0.2 24,-0.1 -26,-0.1 -0.524 64.0 169.5 -85.8 71.2 -19.9 66.8 13.4 103 103 A S - 0 0 5 -2,-1.8 2,-0.3 22,-0.2 80,-0.1 -0.584 42.1-106.9 -89.1 146.8 -20.5 63.5 15.1 104 104 A H >> - 0 0 52 -2,-0.2 3,-1.8 1,-0.1 4,-1.2 -0.566 33.2-124.9 -73.2 128.9 -23.5 62.7 17.1 105 105 A F H 3> S+ 0 0 13 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.715 105.1 61.0 -54.7 -31.2 -22.5 62.7 20.8 106 106 A P H 3> S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.838 104.7 52.2 -65.8 -28.7 -23.7 59.2 21.7 107 107 A D H <> S+ 0 0 49 -3,-1.8 4,-3.0 2,-0.2 5,-0.2 0.910 110.3 47.4 -63.9 -44.6 -21.2 57.9 19.1 108 108 A S H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 5,-0.2 0.878 108.0 55.3 -65.5 -39.8 -18.5 59.9 20.8 109 109 A N H X S+ 0 0 42 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.867 113.6 43.6 -54.2 -37.0 -19.6 58.6 24.1 110 110 A R H X S+ 0 0 82 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.945 112.6 47.3 -78.5 -52.9 -19.1 55.1 22.6 111 111 A R H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.862 111.4 55.6 -55.1 -38.6 -15.8 55.7 20.8 112 112 A Y H X S+ 0 0 22 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.906 111.5 40.9 -59.4 -45.9 -14.5 57.3 24.0 113 113 A E H X S+ 0 0 85 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.839 116.5 49.0 -77.8 -33.9 -15.3 54.2 26.1 114 114 A E H X S+ 0 0 79 -4,-2.5 4,-0.9 2,-0.2 3,-0.3 0.941 114.9 43.4 -67.6 -52.8 -14.1 51.7 23.6 115 115 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.2 1,-0.2 3,-0.8 0.888 110.2 58.1 -59.8 -39.5 -10.7 53.5 22.9 116 116 A K H ><5S+ 0 0 112 -4,-1.8 3,-1.8 -5,-0.3 -1,-0.2 0.875 98.5 59.9 -57.3 -36.6 -10.4 53.9 26.7 117 117 A K H 3<5S+ 0 0 169 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 108.0 44.8 -62.6 -32.0 -10.6 50.1 27.1 118 118 A K T <<5S- 0 0 111 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.258 120.7-109.2 -92.1 7.7 -7.5 49.8 24.9 119 119 A G T < 5S+ 0 0 25 -3,-1.8 -25,-2.0 1,-0.3 2,-0.4 0.592 74.5 138.4 69.7 11.3 -5.7 52.7 26.8 120 120 A I < - 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0 0 16 -23,-2.4 7,-2.9 7,-0.3 2,-0.4 -0.291 41.3-131.7 -61.6 155.0 -10.3 82.4 17.2 162 162 A K E -H 167 0B 99 5,-0.2 2,-0.4 -3,-0.1 202,-0.2 -0.896 16.3-167.2-112.4 142.6 -9.6 85.0 19.9 163 163 A S E > S-H 166 0B 14 3,-2.8 3,-1.4 -2,-0.4 200,-0.1 -0.943 82.0 -24.4-127.5 108.9 -12.1 87.1 21.8 164 164 A D T 3 S- 0 0 140 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.933 126.9 -49.2 53.4 53.4 -10.5 89.9 23.7 165 165 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.022 117.6 113.3 81.6 -29.1 -7.1 88.1 24.0 166 166 A E E < -H 163 0B 87 -3,-1.4 -3,-2.8 -2,-0.2 -1,-0.2 -0.598 69.5-120.8 -81.1 129.8 -8.9 84.9 25.2 167 167 A P E -H 162 0B 27 0, 0.0 2,-1.8 0, 0.0 -5,-0.2 -0.456 15.7-127.6 -70.2 140.9 -8.9 81.8 23.0 168 168 A C S S+ 0 0 0 -7,-2.9 -28,-2.2 -30,-0.2 -7,-0.3 -0.507 84.7 81.1 -84.5 64.5 -12.3 80.4 21.9 169 169 A C + 0 0 0 -2,-1.8 2,-0.3 -30,-0.2 -28,-0.2 -0.728 44.8 155.0-174.6 112.7 -11.4 76.9 23.1 170 170 A E - 0 0 53 -30,-0.5 2,-0.5 -2,-0.2 -2,-0.0 -0.924 58.6 -80.6-132.7 162.3 -11.4 75.4 26.6 171 171 A W - 0 0 33 -2,-0.3 -28,-0.2 1,-0.2 182,-0.1 -0.548 43.3-164.2 -63.2 117.4 -11.7 71.8 27.7 172 172 A V - 0 0 5 -30,-3.2 181,-0.5 -2,-0.5 -29,-0.2 0.959 42.2 -91.5 -71.2 -52.9 -15.5 71.2 27.4 173 173 A G E -g 143 0A 5 -31,-0.6 -29,-1.7 2,-0.1 5,-0.3 -0.958 55.0 -29.9 158.6-172.1 -15.8 68.0 29.5 174 174 A P E > S-g 144 0A 46 0, 0.0 3,-2.3 0, 0.0 -29,-0.2 -0.058 92.7 -17.4 -73.7 163.7 -15.8 64.2 29.4 175 175 A A T 3 S- 0 0 8 -31,-0.9 -51,-0.5 1,-0.3 3,-0.4 -0.130 130.8 -5.3 53.2-123.3 -16.8 61.6 26.8 176 176 A G T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.311 99.1 112.8 -89.0 10.7 -19.1 63.1 24.1 177 177 A A H <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.756 72.2 53.3 -55.3 -36.3 -19.4 66.5 25.8 178 178 A G H > S+ 0 0 0 -3,-0.4 4,-1.8 -54,-0.4 -1,-0.2 0.925 114.1 42.1 -67.3 -45.0 -17.5 68.5 23.1 179 179 A H H > S+ 0 0 3 -3,-0.4 4,-2.2 -55,-0.2 -2,-0.2 0.812 112.4 55.7 -67.8 -33.3 -19.7 67.2 20.3 180 180 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.976 109.5 44.9 -59.7 -58.6 -22.8 67.7 22.6 181 181 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.847 112.4 53.1 -54.2 -39.0 -22.0 71.4 23.1 182 182 A K H X S+ 0 0 13 -4,-1.8 4,-1.5 -41,-0.2 -1,-0.2 0.899 107.4 52.4 -64.3 -41.2 -21.3 71.6 19.3 183 183 A M H X S+ 0 0 4 -4,-2.2 4,-1.6 2,-0.2 3,-0.3 0.939 109.6 47.5 -53.8 -52.4 -24.7 70.1 18.7 184 184 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.3 5,-0.2 0.865 106.9 57.4 -63.1 -38.8 -26.5 72.7 20.9 185 185 A H H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.888 108.0 48.3 -55.3 -40.4 -24.6 75.5 19.2 186 186 A N H X S+ 0 0 16 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.805 109.2 51.8 -73.5 -30.9 -26.1 74.3 15.9 187 187 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.949 111.4 47.5 -64.8 -51.0 -29.6 74.1 17.5 188 188 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.905 108.1 56.9 -55.1 -44.4 -29.1 77.7 18.6 189 189 A E H X S+ 0 0 31 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.947 104.5 50.8 -50.8 -56.1 -27.9 78.6 15.2 190 190 A Y H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 110.0 52.2 -49.1 -45.5 -31.1 77.3 13.6 191 191 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.908 108.8 47.8 -58.2 -48.4 -33.0 79.5 16.1 192 192 A D H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.895 112.2 49.8 -63.6 -41.4 -31.1 82.7 15.2 193 193 A M H X S+ 0 0 69 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.870 112.6 47.5 -64.2 -37.1 -31.6 82.1 11.5 194 194 A Q H X S+ 0 0 37 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.926 111.6 49.8 -70.3 -43.5 -35.3 81.5 11.9 195 195 A L H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.923 112.1 48.0 -60.1 -47.7 -35.7 84.6 14.1 196 196 A I H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.929 110.0 52.9 -56.2 -46.2 -33.9 86.7 11.6 197 197 A C H X S+ 0 0 64 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.788 106.4 53.5 -62.2 -31.2 -36.0 85.3 8.7 198 198 A E H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.895 107.4 49.8 -70.4 -44.2 -39.2 86.2 10.7 199 199 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.941 113.3 47.4 -53.4 -50.3 -38.1 89.8 11.0 200 200 A Y H X S+ 0 0 35 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.959 112.5 49.4 -55.5 -52.5 -37.4 89.9 7.3 201 201 A D H X>S+ 0 0 26 -4,-2.5 4,-3.0 1,-0.2 5,-0.7 0.870 110.9 48.8 -56.4 -46.1 -40.8 88.3 6.5 202 202 A I H X>S+ 0 0 2 -4,-2.6 5,-2.2 2,-0.2 4,-1.1 0.889 114.4 45.2 -63.6 -42.5 -42.7 90.8 8.7 203 203 A M H <>S+ 0 0 0 -4,-2.2 6,-2.6 3,-0.2 5,-0.5 0.887 119.7 42.5 -67.3 -39.4 -40.9 93.8 7.1 204 204 A K H <5S+ 0 0 63 -4,-2.8 4,-0.4 4,-0.2 -2,-0.2 0.975 128.3 22.8 -71.4 -58.5 -41.4 92.3 3.6 205 205 A R H <5S+ 0 0 125 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.754 136.2 31.0 -88.2 -28.3 -45.0 91.0 3.6 206 206 A L T < - 0 0 78 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.440 30.9-106.0 -77.6 163.4 -38.0 96.5 -0.3 211 211 A D H > S+ 0 0 11 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.903 122.3 54.9 -61.0 -39.7 -35.0 94.3 0.3 212 212 A K H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 108.7 49.2 -59.3 -39.9 -32.6 97.3 0.4 213 213 A E H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.861 113.8 44.7 -64.0 -39.8 -34.8 98.9 3.1 214 214 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.898 111.1 54.7 -73.8 -40.8 -34.8 95.6 5.1 215 215 A S H X S+ 0 0 2 -4,-3.7 4,-2.4 1,-0.2 -2,-0.2 0.904 107.7 49.6 -52.1 -45.2 -31.0 95.4 4.5 216 216 A D H X S+ 0 0 110 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.798 107.5 54.6 -66.1 -33.9 -30.6 98.9 5.9 217 217 A V H X S+ 0 0 15 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.914 110.5 45.1 -64.8 -44.4 -32.7 97.9 9.0 218 218 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.885 110.5 55.3 -65.8 -38.3 -30.3 95.0 9.6 219 219 A A H X S+ 0 0 37 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.940 112.7 42.9 -51.7 -50.5 -27.4 97.5 9.0 220 220 A K H >< S+ 0 0 108 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.901 113.9 49.5 -64.6 -47.9 -28.9 99.6 11.7 221 221 A W H ><>S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.2 5,-0.8 0.852 104.5 58.8 -63.9 -35.5 -29.7 96.7 14.1 222 222 A N H 3<5S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 97.8 62.2 -63.4 -22.5 -26.1 95.4 13.7 223 223 A N T <<5S+ 0 0 144 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.446 114.3 31.6 -80.5 -2.1 -25.0 98.7 15.0 224 224 A G T X 5S- 0 0 34 -3,-1.8 3,-1.7 -4,-0.1 -3,-0.1 -0.168 120.5 -30.7-126.8-136.0 -26.8 98.0 18.3 225 225 A V T 3 5S+ 0 0 58 1,-0.3 146,-0.2 -2,-0.1 -3,-0.1 0.760 126.8 56.0 -67.7 -26.9 -27.8 95.3 20.6 226 226 A L T 3 -I 369 0C 4 141,-0.2 4,-1.5 142,-0.1 141,-0.2 -0.975 69.4-106.5-170.9 159.7 -23.8 89.6 15.3 229 229 A F H > S+ 0 0 51 139,-2.1 4,-2.3 -2,-0.3 5,-0.2 0.880 116.7 50.7 -63.0 -43.0 -22.4 87.7 12.3 230 230 A L H > S+ 0 0 13 138,-0.3 4,-1.6 136,-0.3 -1,-0.2 0.856 109.5 50.0 -65.7 -38.9 -25.8 86.3 11.1 231 231 A V H > S+ 0 0 2 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.840 111.1 52.5 -64.9 -32.8 -27.3 89.8 11.2 232 232 A E H X S+ 0 0 68 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.925 110.7 43.5 -68.7 -49.3 -24.3 91.0 9.1 233 233 A I H X S+ 0 0 57 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.815 113.6 53.2 -68.4 -29.6 -24.6 88.4 6.4 234 234 A T H X S+ 0 0 19 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.942 108.5 48.6 -69.0 -50.4 -28.3 89.0 6.3 235 235 A R H X S+ 0 0 56 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.935 116.3 45.7 -47.5 -48.8 -27.8 92.7 5.9 236 236 A D H < S+ 0 0 66 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.863 111.7 49.6 -67.2 -39.3 -25.3 91.7 3.1 237 237 A I H >< S+ 0 0 78 -4,-2.9 3,-0.9 1,-0.2 12,-0.4 0.884 105.4 58.5 -65.3 -40.5 -27.6 89.1 1.4 238 238 A L H 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -23,-0.2 0.726 109.1 42.5 -67.6 -24.8 -30.6 91.5 1.3 239 239 A K T 3< S+ 0 0 103 -4,-0.8 2,-0.5 -3,-0.4 -1,-0.3 0.504 86.4 117.3 -96.8 -4.9 -28.8 94.1 -0.8 240 240 A F < - 0 0 121 -3,-0.9 8,-1.9 -4,-0.5 9,-0.5 -0.486 54.2-151.4 -71.1 115.6 -27.1 91.5 -3.1 241 241 A D B -J 247 0D 64 -2,-0.5 5,-0.1 6,-0.2 -2,-0.1 -0.693 7.6-130.2 -92.3 138.9 -28.3 92.0 -6.6 242 242 A D > - 0 0 44 4,-3.0 3,-2.9 -2,-0.3 -1,-0.1 -0.311 48.5 -82.3 -68.8 164.7 -28.6 89.3 -9.2 243 243 A V T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.530 133.2 53.5 -42.0 -11.6 -27.0 89.9 -12.6 244 244 A D T 3 S- 0 0 71 2,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.248 116.4-108.2-116.8 9.8 -30.2 91.8 -13.5 245 245 A G S < S+ 0 0 46 -3,-2.9 -2,-0.1 1,-0.3 3,-0.1 0.232 83.9 119.9 81.9 -15.7 -30.4 94.3 -10.6 246 246 A K S S- 0 0 124 1,-0.1 -4,-3.0 -5,-0.1 -2,-0.3 -0.574 82.1 -88.0 -78.5 145.2 -33.3 92.4 -9.0 247 247 A P B > -J 241 0D 38 0, 0.0 3,-0.7 0, 0.0 -6,-0.2 -0.361 33.0-149.9 -57.9 123.0 -32.6 91.0 -5.4 248 248 A L G > S+ 0 0 59 -8,-1.9 3,-2.5 1,-0.2 4,-0.4 0.908 90.5 64.6 -60.4 -44.6 -31.1 87.6 -5.9 249 249 A V G > S+ 0 0 34 -9,-0.5 3,-0.8 -12,-0.4 -1,-0.2 0.738 93.2 62.3 -54.0 -27.4 -32.6 86.2 -2.5 250 250 A E G < S+ 0 0 78 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.482 101.4 53.7 -79.2 -1.6 -36.1 86.7 -3.9 251 251 A K G < S+ 0 0 94 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.495 84.3 106.8-105.9 -11.3 -35.3 84.1 -6.6 252 252 A I S < S- 0 0 105 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.0 -0.465 81.0-108.4 -75.6 139.9 -34.1 81.4 -4.2 253 253 A M - 0 0 117 -2,-0.1 2,-2.1 1,-0.1 -1,-0.1 -0.576 28.1-131.3 -69.7 124.2 -36.4 78.4 -3.7 254 254 A D + 0 0 75 -2,-0.4 2,-0.4 -4,-0.1 -1,-0.1 -0.356 68.2 115.4 -83.7 60.6 -37.8 78.7 -0.2 255 255 A T - 0 0 58 -2,-2.1 35,-0.1 35,-0.1 2,-0.1 -0.937 56.9-143.9-129.1 107.8 -37.1 75.1 0.9 256 256 A A - 0 0 43 -2,-0.4 2,-0.2 30,-0.3 34,-0.1 -0.419 8.5-144.4 -75.1 142.5 -34.6 74.9 3.8 257 257 A G - 0 0 53 -2,-0.1 2,-0.3 33,-0.0 -1,-0.1 -0.560 12.4-170.5 -92.2 165.7 -32.1 72.1 4.0 258 258 A Q - 0 0 64 -2,-0.2 -2,-0.0 1,-0.1 25,-0.0 -0.835 17.6-162.3-157.1 123.6 -30.8 70.5 7.2 259 259 A K - 0 0 219 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.805 59.1 -98.7 -77.6 -28.3 -28.0 68.1 7.4 260 260 A G S >> S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.011 96.8 102.8 147.2 -35.8 -29.2 66.9 10.9 261 261 A T H 3> S+ 0 0 20 1,-0.2 4,-0.7 2,-0.2 -74,-0.2 0.667 85.1 58.5 -52.3 -19.0 -27.4 68.5 13.8 262 262 A G H >> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.912 104.2 45.6 -80.8 -47.1 -30.4 70.9 14.3 263 263 A K H <> S+ 0 0 100 -3,-0.7 4,-3.0 1,-0.2 5,-0.2 0.827 104.3 67.3 -63.0 -30.3 -33.1 68.2 14.8 264 264 A W H 3X S+ 0 0 58 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.832 98.5 50.2 -59.3 -36.6 -30.7 66.5 17.2 265 265 A T H S+ 0 0 3 -4,-2.4 5,-2.6 2,-0.2 4,-1.0 0.930 110.9 46.6 -57.6 -49.1 -34.5 68.4 24.5 270 270 A L H ><5S+ 0 0 135 -4,-2.4 3,-0.7 3,-0.2 -2,-0.2 0.934 112.7 49.0 -55.3 -52.8 -37.4 66.0 24.2 271 271 A D H 3<5S+ 0 0 125 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 116.9 42.8 -54.1 -41.0 -35.2 63.1 25.7 272 272 A L H 3<5S- 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.592 109.5-122.1 -86.1 -9.7 -34.1 65.3 28.5 273 273 A G T <<5 + 0 0 60 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.868 60.8 144.0 69.1 38.5 -37.5 66.9 29.2 274 274 A M < - 0 0 19 -5,-2.6 2,-2.0 -6,-0.1 -1,-0.2 -0.921 56.9-122.8-111.7 137.5 -36.4 70.5 28.7 275 275 A P + 0 0 55 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.456 45.8 156.7 -78.3 73.2 -38.7 73.1 27.1 276 276 A V > + 0 0 9 -2,-2.0 4,-1.8 1,-0.2 -7,-0.1 -0.505 13.9 155.8 -93.1 65.1 -36.4 74.1 24.1 277 277 A T H > + 0 0 45 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.846 59.5 54.3 -69.8 -37.0 -39.4 75.3 22.2 278 278 A L H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.944 109.0 46.8 -69.3 -48.5 -37.8 77.9 19.8 279 279 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 112.3 53.7 -56.7 -44.5 -35.2 75.5 18.4 280 280 A G H X S+ 0 0 14 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.947 110.6 45.1 -48.4 -54.4 -38.0 73.0 18.0 281 281 A E H X S+ 0 0 74 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.866 110.5 54.5 -62.3 -39.2 -40.0 75.6 16.0 282 282 A A H X S+ 0 0 2 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.917 111.8 44.3 -59.7 -46.3 -37.0 76.5 13.9 283 283 A V H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.954 114.3 48.9 -63.5 -49.8 -36.5 72.8 13.0 284 284 A F H X S+ 0 0 135 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.853 106.5 57.8 -58.9 -33.3 -40.2 72.4 12.3 285 285 A A H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.888 105.4 49.1 -66.8 -40.0 -40.2 75.6 10.1 286 286 A R H X S+ 0 0 35 -4,-1.6 4,-1.9 -3,-0.3 -30,-0.3 0.901 110.9 51.3 -59.4 -43.6 -37.5 74.1 7.9 287 287 A C H X S+ 0 0 56 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.909 110.8 48.4 -58.6 -44.1 -39.7 71.0 7.7 288 288 A L H >< S+ 0 0 100 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.900 108.8 53.3 -60.2 -44.0 -42.7 73.2 6.7 289 289 A S H 3< S+ 0 0 22 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.837 97.9 64.3 -63.7 -36.1 -40.6 75.0 4.1 290 290 A A H 3< S+ 0 0 56 -4,-1.9 2,-1.5 1,-0.2 3,-0.3 0.759 85.8 77.4 -54.5 -27.8 -39.6 71.7 2.4 291 291 A L + 0 0 50 -2,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.862 67.9 42.5 -52.5 -52.2 -43.2 73.7 -1.3 293 293 A N H > S+ 0 0 111 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.861 112.2 53.8 -68.9 -34.9 -45.8 72.2 -3.6 294 294 A E H > S+ 0 0 119 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.866 110.6 48.6 -64.8 -34.0 -48.2 71.5 -0.8 295 295 A R H X S+ 0 0 62 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.862 106.8 53.7 -75.5 -40.2 -48.0 75.2 0.2 296 296 A I H X S+ 0 0 66 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.963 113.7 44.7 -54.6 -50.8 -48.6 76.5 -3.3 297 297 A R H >X S+ 0 0 152 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.936 113.4 49.8 -57.5 -48.4 -51.7 74.4 -3.3 298 298 A A H >X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 3,-1.1 0.870 104.1 60.2 -57.6 -39.6 -52.6 75.6 0.3 299 299 A S H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.738 101.1 54.5 -62.7 -23.9 -52.1 79.2 -0.7 300 300 A K H << S+ 0 0 168 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.709 121.5 24.6 -85.0 -18.9 -54.8 79.0 -3.4 301 301 A V H << S+ 0 0 115 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.760 98.9 81.7-118.1 -38.7 -57.6 77.7 -1.0 302 302 A L < - 0 0 126 -4,-2.6 2,-0.1 -5,-0.2 -1,-0.0 -0.607 68.8-138.6 -82.7 132.4 -57.0 78.6 2.6 303 303 A P + 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.312 27.3 160.9 -84.9 169.5 -58.1 82.2 3.6 304 304 A G - 0 0 63 -2,-0.1 112,-0.1 111,-0.0 111,-0.1 -0.951 45.1 -58.8-172.3 172.7 -56.4 84.7 5.8 305 305 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 110,-0.0 -0.174 50.4-113.8 -64.2 152.4 -56.5 88.5 6.6 306 306 A E - 0 0 173 1,-0.0 110,-0.0 0, 0.0 0, 0.0 -0.633 20.9-139.8 -76.8 141.7 -55.8 91.1 3.9 307 307 A V - 0 0 46 -2,-0.3 108,-0.0 109,-0.1 -1,-0.0 -0.899 22.3-151.4-103.2 101.3 -52.6 93.1 4.5 308 308 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.304 24.3-114.3 -69.5 156.2 -53.5 96.7 3.5 309 309 A K T 3 S+ 0 0 208 1,-0.3 3,-0.3 2,-0.1 -2,-0.0 0.781 117.9 49.9 -59.6 -25.0 -50.9 99.1 2.1 310 310 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.039 70.4 115.1-104.6 22.8 -51.4 101.2 5.3 311 311 A A S < S+ 0 0 7 -3,-1.7 2,-0.6 1,-0.2 -1,-0.2 0.833 81.3 47.3 -60.7 -34.7 -51.1 98.3 7.9 312 312 A V + 0 0 17 -3,-0.3 -1,-0.2 -106,-0.2 3,-0.2 -0.940 62.7 164.1-108.7 106.0 -47.9 100.0 9.2 313 313 A K S S+ 0 0 158 -2,-0.6 2,-1.0 1,-0.2 -1,-0.2 0.931 74.8 46.2 -78.8 -55.2 -48.5 103.8 9.6 314 314 A D > + 0 0 86 1,-0.2 4,-2.5 2,-0.1 -1,-0.2 -0.743 64.7 178.6 -96.3 92.4 -45.5 104.4 11.8 315 315 A R H > S+ 0 0 107 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.808 81.7 53.5 -63.2 -35.5 -42.5 102.7 10.1 316 316 A E H > S+ 0 0 147 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 112.8 42.8 -65.5 -46.0 -40.0 103.9 12.8 317 317 A Q H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 113.0 54.1 -67.0 -42.8 -42.1 102.5 15.6 318 318 A F H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.931 112.5 42.9 -49.9 -54.5 -42.8 99.3 13.6 319 319 A V H X S+ 0 0 13 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.881 113.6 51.5 -64.5 -41.4 -39.1 98.7 13.2 320 320 A D H X S+ 0 0 52 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.865 111.6 47.2 -66.3 -38.2 -38.2 99.6 16.8 321 321 A D H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.895 110.8 52.4 -65.5 -43.7 -40.9 97.2 18.1 322 322 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.829 104.2 56.3 -61.1 -38.1 -39.6 94.4 15.8 323 323 A E H X S+ 0 0 24 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.908 109.3 46.0 -62.3 -44.7 -36.0 94.9 17.0 324 324 A Q H X S+ 0 0 30 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.779 112.0 52.4 -66.6 -32.9 -37.2 94.3 20.6 325 325 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 79,-0.2 -2,-0.2 0.926 113.5 42.9 -69.0 -46.8 -39.2 91.2 19.4 326 326 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.937 118.2 45.8 -61.4 -49.2 -36.2 89.7 17.7 327 327 A Y H X S+ 0 0 10 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.891 114.5 45.3 -64.9 -44.6 -33.9 90.6 20.6 328 328 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.886 113.1 51.2 -68.0 -39.6 -36.2 89.3 23.4 329 329 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 108.0 52.5 -62.5 -46.0 -37.0 86.1 21.5 330 330 A K H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.902 106.2 54.0 -55.9 -44.4 -33.2 85.5 21.0 331 331 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.894 108.9 49.8 -58.5 -38.3 -32.8 85.9 24.7 332 332 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.967 109.3 50.1 -63.5 -51.9 -35.5 83.2 25.2 333 333 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.887 113.9 44.4 -54.0 -47.7 -33.9 80.8 22.8 334 334 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 110.9 54.3 -64.9 -38.9 -30.4 81.1 24.5 335 335 A A H X S+ 0 0 1 -4,-2.2 4,-1.3 -5,-0.3 53,-0.2 0.892 111.7 46.0 -59.9 -39.1 -32.0 80.8 27.9 336 336 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 108.7 56.4 -67.5 -43.7 -33.6 77.6 26.7 337 337 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 109.6 44.9 -53.5 -45.0 -30.2 76.5 25.2 338 338 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.744 106.8 58.2 -78.7 -24.6 -28.5 76.8 28.6 339 339 A M H X S+ 0 0 12 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.899 108.0 48.9 -60.7 -44.7 -31.4 75.0 30.4 340 340 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.957 112.1 46.7 -57.2 -53.6 -30.6 72.1 28.1 341 341 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.895 111.9 52.8 -55.3 -44.0 -26.9 72.4 28.9 342 342 A R H X S+ 0 0 86 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.903 112.7 43.0 -58.0 -45.8 -27.8 72.6 32.6 343 343 A E H X S+ 0 0 65 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.902 113.7 51.0 -72.0 -40.2 -30.0 69.4 32.4 344 344 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 6,-0.4 0.872 108.0 52.6 -62.4 -42.7 -27.4 67.5 30.3 345 345 A A H X>S+ 0 0 22 -4,-2.7 5,-1.9 -5,-0.2 4,-1.2 0.969 116.2 41.4 -51.8 -52.6 -24.6 68.4 32.8 346 346 A A H <5S+ 0 0 74 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.826 118.6 42.7 -66.5 -40.6 -26.9 67.0 35.5 347 347 A T H <5S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.839 122.1 37.7 -78.4 -36.5 -28.2 63.9 33.7 348 348 A Y H <5S- 0 0 70 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.593 106.3-121.0 -93.0 -13.1 -25.0 62.8 32.2 349 349 A G T <5 + 0 0 61 -4,-1.2 2,-0.4 -5,-0.3 -3,-0.2 0.863 60.6 148.5 71.4 39.2 -22.8 63.7 35.1 350 350 A W < - 0 0 19 -5,-1.9 2,-1.7 -6,-0.4 -1,-0.3 -0.894 49.8-136.0-107.3 134.3 -20.7 66.1 33.0 351 351 A K - 0 0 196 -2,-0.4 2,-0.1 2,-0.0 -6,-0.1 -0.425 33.2-174.0 -90.2 66.6 -19.2 69.2 34.6 352 352 A L - 0 0 20 -2,-1.7 2,-0.7 -11,-0.2 -179,-0.1 -0.338 17.8-139.2 -65.3 133.1 -20.1 71.6 31.9 353 353 A N > - 0 0 85 -181,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.848 10.5-164.9-101.7 106.8 -18.7 75.2 32.2 354 354 A N H > S+ 0 0 24 -2,-0.7 4,-2.3 29,-0.3 5,-0.2 0.852 88.1 47.3 -58.7 -45.4 -21.2 77.8 31.2 355 355 A P H > S+ 0 0 19 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.905 114.4 48.3 -63.2 -40.0 -18.8 80.8 30.9 356 356 A A H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.902 111.1 49.4 -67.0 -44.9 -16.3 78.7 28.9 357 357 A I H X S+ 0 0 2 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.910 114.0 46.0 -58.4 -45.8 -19.1 77.4 26.5 358 358 A A H >X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 3,-0.5 0.938 112.5 51.3 -64.3 -43.9 -20.3 81.0 26.0 359 359 A L H >X S+ 0 0 7 -4,-2.9 4,-0.7 1,-0.2 3,-0.7 0.910 107.9 52.3 -52.8 -47.3 -16.7 82.1 25.5 360 360 A M H 3< S+ 0 0 1 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.737 113.1 44.8 -65.5 -25.4 -16.2 79.4 22.9 361 361 A W H << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.591 93.3 81.6 -92.2 -13.3 -19.3 80.7 21.1 362 362 A R H << S+ 0 0 48 -4,-1.2 7,-0.5 -3,-0.7 2,-0.2 0.863 104.8 11.7 -56.6 -43.9 -18.3 84.4 21.3 363 363 A G S < S+ 0 0 11 -4,-0.7 2,-2.7 5,-0.2 4,-0.1 -0.727 116.7 27.4-129.4 177.0 -16.0 84.1 18.3 364 364 A G S S+ 0 0 8 -2,-0.2 -225,-0.2 -202,-0.2 -227,-0.1 -0.125 95.7 94.4 67.5 -44.3 -15.1 81.8 15.4 365 365 A C S > S- 0 0 0 -2,-2.7 3,-1.4 -5,-0.3 -136,-0.1 -0.278 87.2-109.9 -82.6 163.9 -18.5 80.2 15.3 366 366 A I T 3 S+ 0 0 40 1,-0.3 -136,-0.3 -137,-0.1 -137,-0.1 0.833 116.6 53.6 -58.9 -35.6 -21.5 81.1 13.1 367 367 A I T 3 S+ 0 0 2 -138,-0.1 -1,-0.3 -4,-0.1 5,-0.2 0.183 78.4 145.8 -86.2 15.6 -23.5 82.4 16.1 368 368 A R < + 0 0 79 -3,-1.4 -139,-2.1 -140,-0.1 -138,-0.3 -0.266 18.9 141.7 -61.5 139.1 -20.8 84.8 17.2 369 369 A S B > -I 228 0C 14 -7,-0.5 4,-0.8 -141,-0.2 3,-0.2 -0.980 65.4-107.4-168.2 163.8 -22.0 88.1 18.7 370 370 A V H > S+ 0 0 81 -143,-1.3 4,-1.5 -2,-0.3 3,-0.5 0.850 116.5 66.7 -63.9 -40.2 -21.6 90.8 21.3 371 371 A F H > S+ 0 0 7 -144,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.872 96.2 54.8 -43.3 -48.8 -24.7 89.2 23.0 372 372 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.844 102.2 56.1 -60.7 -36.3 -22.6 86.1 23.7 373 373 A G H X S+ 0 0 8 -4,-0.8 4,-2.4 -3,-0.5 -1,-0.2 0.889 105.3 53.0 -60.0 -37.1 -19.9 88.2 25.5 374 374 A Q H X S+ 0 0 47 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.816 107.1 51.4 -69.2 -30.6 -22.7 89.4 27.7 375 375 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.914 108.8 50.4 -69.1 -46.6 -23.7 85.7 28.4 376 376 A T H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.947 110.6 50.8 -52.0 -52.5 -20.0 84.9 29.4 377 377 A K H X S+ 0 0 81 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 108.1 51.5 -52.0 -51.0 -20.1 87.9 31.7 378 378 A A H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.882 115.1 42.2 -57.4 -41.9 -23.3 86.8 33.4 379 379 A Y H < S+ 0 0 3 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.735 108.7 57.9 -80.2 -25.4 -21.9 83.3 34.1 380 380 A R H < S+ 0 0 141 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 111.5 44.4 -60.8 -48.0 -18.5 84.6 35.1 381 381 A E H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.868 135.9 13.0 -63.6 -42.5 -20.3 86.6 37.8 382 382 A E >< + 0 0 92 -4,-1.7 3,-1.6 -5,-0.2 -1,-0.3 -0.786 62.4 176.5-137.7 90.6 -22.6 83.7 38.8 383 383 A P T 3 S+ 0 0 81 0, 0.0 -29,-0.3 0, 0.0 -4,-0.1 0.689 86.5 56.0 -71.8 -12.8 -21.4 80.4 37.4 384 384 A D T 3 S+ 0 0 136 -3,-0.1 -5,-0.1 -30,-0.0 -3,-0.0 0.335 73.8 143.0 -94.7 3.9 -24.3 78.7 39.3 385 385 A L < - 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