==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE(CHOH(D)-NAD(A)) 25-NOV-87 1LDM . COMPND 2 MOLECULE: M4 LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SQUALUS ACANTHIAS; . AUTHOR J.P.GRIFFITH,M.G.ROSSMANN . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 7.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 0 0 0 0 0 3 0 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 4 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 A 0 0 106 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 117.3 -36.4 4.2 19.3 2 2 A T > - 0 0 82 1,-0.2 4,-1.6 0, 0.0 5,-0.1 -0.657 360.0 -88.3-159.9 176.6 -34.4 7.0 17.8 3 3 A L H >> S+ 0 0 136 -2,-0.3 4,-1.8 1,-0.2 3,-0.6 0.997 130.9 39.8 -62.9 -61.0 -32.7 6.4 14.5 4 4 A K H 3> S+ 0 0 147 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.741 113.4 53.9 -51.6 -42.3 -29.5 5.1 16.1 5 5 A D H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.908 109.5 49.4 -66.3 -33.6 -31.4 3.1 18.8 6 6 A K H << S+ 0 0 143 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.880 122.7 31.9 -75.8 -28.0 -33.5 1.4 16.1 7 7 A L H < S+ 0 0 140 -4,-1.8 2,-0.7 1,-0.2 -2,-0.2 0.924 110.7 62.1 -91.4 -51.1 -30.4 0.4 14.1 8 8 A I < - 0 0 76 -4,-2.5 -1,-0.2 -5,-0.1 2,-0.0 -0.751 60.6-175.9 -92.2 106.8 -27.6 -0.1 16.7 9 9 A G - 0 0 62 -2,-0.7 2,-0.3 -3,-0.1 -2,-0.0 -0.124 15.1-136.5 -85.3-176.9 -27.9 -2.9 19.3 10 10 A H - 0 0 149 4,-0.0 2,-0.2 -2,-0.0 4,-0.1 -0.928 6.0-131.9-144.4 151.6 -25.5 -3.6 22.1 11 11 A L - 0 0 147 2,-0.4 0, 0.0 -2,-0.3 0, 0.0 -0.475 38.3-101.9 -93.4 178.7 -24.0 -6.8 23.6 12 12 A A S S+ 0 0 115 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.806 105.6 53.0 -66.6 -29.1 -24.0 -7.4 27.3 13 13 A T + 0 0 117 2,-0.0 -2,-0.4 -3,-0.0 2,-0.3 -0.806 58.3 135.2-113.5 150.3 -20.3 -6.4 27.2 14 14 A S - 0 0 115 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.0 -0.955 25.9-143.6 178.8 164.9 -18.1 -3.5 26.0 15 15 A Q - 0 0 179 -2,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.902 35.8 -75.6-144.1 164.6 -15.2 -1.2 27.0 16 16 A E - 0 0 181 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 -0.323 49.6-108.6 -67.2 143.8 -14.0 2.4 26.6 17 17 A P + 0 0 122 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.243 45.9 167.7 -63.3 161.4 -12.6 3.5 23.3 18 18 A R - 0 0 177 -3,-0.1 2,-0.4 0, 0.0 -3,-0.0 -0.715 28.1-137.9-174.3 138.0 -8.8 4.1 23.4 19 19 A S - 0 0 32 -2,-0.2 3,-0.2 1,-0.1 28,-0.0 -0.938 12.4-170.8-107.1 140.3 -6.3 4.6 20.6 20 20 A Y S S+ 0 0 135 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.390 75.3 47.9-113.0 -2.8 -2.9 2.8 20.9 21 21 A N S S+ 0 0 75 2,-0.1 25,-1.3 69,-0.0 26,-1.0 -0.573 75.2 169.7-134.4 70.5 -0.7 4.2 18.1 22 22 A K E -a 47 0A 20 66,-0.4 68,-3.6 23,-0.2 69,-1.5 -0.694 13.9-174.6 -95.3 137.7 -1.1 8.0 18.4 23 23 A I E -ab 48 91A 0 24,-1.9 26,-1.7 -2,-0.3 2,-0.4 -0.991 8.9-157.0-128.9 133.7 1.0 10.6 16.6 24 24 A T E -ab 49 92A 0 67,-2.3 69,-2.9 -2,-0.4 2,-0.6 -0.943 1.7-159.7-115.4 121.7 0.7 14.4 17.2 25 25 A V E -ab 50 93A 0 24,-2.3 26,-1.5 -2,-0.4 2,-0.8 -0.989 11.3-157.9-102.2 112.4 1.9 16.7 14.4 26 26 A V E +ab 51 94A 3 67,-2.7 69,-3.0 -2,-0.6 70,-0.5 -0.879 66.3 41.4 -91.5 108.6 2.5 20.1 16.1 27 27 A G - 0 0 3 24,-2.4 2,-0.5 -2,-0.8 25,-0.2 0.460 63.0-150.8 119.2 107.1 2.3 22.8 13.4 28 28 A V + 0 0 3 4,-0.2 2,-0.1 26,-0.1 33,-0.1 -0.394 59.0 109.1-107.7 59.6 -0.3 22.8 10.6 29 29 A G S > S- 0 0 35 -2,-0.5 4,-2.6 66,-0.1 5,-0.5 -0.306 89.9 -62.2-110.8-170.7 1.7 24.7 8.0 30 30 A A H > S+ 0 0 33 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.937 141.6 34.2 -41.9 -64.6 3.3 23.6 4.7 31 31 A V H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.897 115.2 64.7 -60.2 -38.5 5.6 21.1 6.3 32 32 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.959 108.8 33.2 -44.3 -74.4 2.8 20.5 8.8 33 33 A M H X S+ 0 0 28 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.698 112.7 63.2 -60.2 -28.8 0.3 18.9 6.5 34 34 A A H X S+ 0 0 1 -4,-1.6 4,-1.8 -5,-0.5 -1,-0.2 0.897 108.9 40.2 -67.3 -52.5 2.9 17.3 4.3 35 35 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 -3,-0.2 5,-0.3 0.951 117.2 52.2 -56.6 -47.7 4.1 15.2 7.2 36 36 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.883 111.3 43.3 -58.5 -40.9 0.4 14.7 8.2 37 37 A I H X S+ 0 0 58 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.875 112.5 55.3 -74.5 -33.9 -0.9 13.5 4.7 38 38 A S H X S+ 0 0 9 -4,-1.8 4,-1.2 -5,-0.3 -2,-0.2 0.995 112.9 40.1 -61.2 -66.1 2.2 11.3 4.4 39 39 A I H ><>S+ 0 0 1 -4,-2.4 5,-1.2 2,-0.2 3,-0.7 0.919 113.6 54.1 -43.0 -49.3 1.5 9.4 7.7 40 40 A L H ><5S+ 0 0 4 -4,-2.0 3,-1.9 -5,-0.3 33,-0.3 0.986 109.5 49.4 -51.1 -54.0 -2.2 9.3 7.0 41 41 A M H 3<5S+ 0 0 116 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.669 110.1 50.1 -62.1 -24.5 -1.5 7.7 3.7 42 42 A K T <<5S- 0 0 82 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.048 103.6-129.0 -99.8 12.7 0.8 5.1 5.3 43 43 A D T < 5 + 0 0 83 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.837 57.7 146.5 39.0 58.3 -1.6 4.1 7.9 44 44 A L < + 0 0 11 -5,-1.2 2,-0.3 -21,-0.0 -1,-0.2 0.706 57.1 37.0 -89.4 -32.6 1.0 4.6 10.6 45 45 A A - 0 0 9 -6,-0.3 -23,-0.2 1,-0.1 3,-0.1 -0.805 58.5-147.9-123.4 155.0 -1.2 5.8 13.5 46 46 A D S S+ 0 0 44 -25,-1.3 30,-0.7 -2,-0.3 2,-0.3 0.198 95.1 34.2 -93.7 -2.5 -4.8 4.9 14.7 47 47 A E E -ac 22 76A 17 -26,-1.0 -24,-1.9 28,-0.1 2,-0.5 -0.939 64.3-166.6-151.9 134.5 -5.1 8.6 15.8 48 48 A V E -ac 23 77A 1 28,-2.8 30,-2.4 -2,-0.3 2,-0.4 -0.993 7.1-171.7-125.4 129.2 -3.8 11.8 14.5 49 49 A A E -ac 24 78A 0 -26,-1.7 -24,-2.3 -2,-0.5 2,-0.4 -0.921 5.8-160.4-116.5 128.4 -3.9 15.0 16.6 50 50 A L E -ac 25 79A 0 28,-1.9 30,-1.6 -2,-0.4 2,-0.4 -0.929 8.1-172.1-106.5 144.4 -3.0 18.4 15.1 51 51 A V E +a 26 0A 2 -26,-1.5 -24,-2.4 -2,-0.4 2,-0.3 -0.992 15.1 149.6-132.5 137.4 -2.0 21.3 17.3 52 52 A D - 0 0 31 -2,-0.4 -2,-0.0 28,-0.3 6,-0.0 -0.950 48.3-131.5-158.0 153.5 -1.4 25.0 16.3 53 53 A V S S+ 0 0 112 -2,-0.3 2,-1.1 1,-0.1 28,-0.1 0.809 93.4 84.3 -74.2 -31.3 -1.8 28.5 17.8 54 54 A M > - 0 0 123 1,-0.2 4,-2.1 2,-0.1 3,-0.1 -0.652 64.7-172.0 -76.6 103.0 -3.6 29.5 14.6 55 55 A E H > S+ 0 0 107 -2,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.638 75.7 45.8 -74.4 -28.8 -7.2 28.4 15.3 56 56 A D H > S+ 0 0 152 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.860 115.6 47.8 -77.1 -48.0 -9.1 28.9 12.1 57 57 A K H > S+ 0 0 96 2,-0.2 4,-2.1 3,-0.1 5,-0.2 0.846 111.2 51.3 -58.5 -47.1 -6.3 27.3 10.0 58 58 A L H X S+ 0 0 3 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.976 111.2 45.8 -56.2 -59.3 -6.1 24.4 12.4 59 59 A K H X S+ 0 0 114 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.770 113.8 49.1 -57.9 -33.0 -9.9 23.6 12.3 60 60 A G H X S+ 0 0 36 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.880 113.1 46.5 -77.1 -39.0 -10.1 23.9 8.4 61 61 A E H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.942 113.9 49.5 -67.7 -43.2 -7.1 21.6 7.9 62 62 A M H X S+ 0 0 26 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.949 114.0 45.5 -56.4 -51.7 -8.6 19.3 10.4 63 63 A M H X S+ 0 0 85 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.849 109.5 54.5 -56.2 -48.5 -12.0 19.4 8.6 64 64 A D H < S+ 0 0 113 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.843 112.2 43.1 -58.5 -41.6 -10.4 19.0 5.1 65 65 A L H >< S+ 0 0 22 -4,-2.3 3,-1.6 2,-0.2 -2,-0.2 0.905 111.4 55.6 -74.8 -38.9 -8.6 15.8 6.2 66 66 A Q H >< S+ 0 0 66 -4,-2.5 3,-3.2 -5,-0.3 4,-0.3 0.963 99.0 60.3 -58.5 -43.3 -11.8 14.5 8.0 67 67 A H T 3< S+ 0 0 137 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.598 103.6 54.9 -60.8 -10.6 -13.8 14.9 4.7 68 68 A G T X S+ 0 0 18 -3,-1.6 3,-1.6 -5,-0.1 -1,-0.3 0.313 72.8 109.8-106.3 13.4 -11.4 12.4 3.3 69 69 A S G X + 0 0 54 -3,-3.2 3,-1.9 1,-0.3 5,-0.2 0.815 69.9 61.5 -58.3 -47.9 -11.9 9.7 6.0 70 70 A L G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.800 104.0 53.6 -43.1 -32.6 -13.7 7.3 3.6 71 71 A F G < S+ 0 0 157 -3,-1.6 -1,-0.3 -4,-0.0 2,-0.2 0.053 109.8 52.0 -98.5 27.3 -10.5 7.3 1.6 72 72 A L < - 0 0 34 -3,-1.9 -31,-0.1 2,-0.1 -32,-0.0 -0.804 69.4-131.2-148.1-174.8 -8.2 6.4 4.6 73 73 A H + 0 0 150 -33,-0.3 2,-0.5 -2,-0.2 -3,-0.1 -0.105 69.1 110.3-143.7 37.2 -7.7 3.8 7.5 74 74 A T - 0 0 9 -5,-0.2 -28,-0.1 1,-0.1 3,-0.1 -0.980 53.1-158.6-122.1 109.8 -7.2 6.2 10.3 75 75 A A + 0 0 96 -2,-0.5 2,-0.4 1,-0.2 -28,-0.1 0.783 69.5 36.4 -68.3 -23.5 -10.1 6.1 12.7 76 76 A K E +c 47 0A 105 -30,-0.7 -28,-2.8 2,-0.0 2,-0.5 -0.965 48.6 177.5-142.3 123.4 -9.6 9.5 14.4 77 77 A I E +c 48 0A 12 -2,-0.4 2,-0.2 -30,-0.2 -28,-0.2 -0.994 22.5 168.3-120.3 123.3 -8.4 12.9 13.4 78 78 A V E -c 49 0A 24 -30,-2.4 -28,-1.9 -2,-0.5 2,-0.3 -0.746 9.7-179.1-128.7 169.7 -8.5 15.6 16.2 79 79 A S E +c 50 0A 25 -30,-0.2 2,-0.3 -2,-0.2 -28,-0.2 -0.952 11.2 143.5-167.0 151.7 -7.2 19.1 16.7 80 80 A G - 0 0 19 -30,-1.6 -28,-0.3 -2,-0.3 6,-0.0 -0.924 49.7-117.0 178.7 161.0 -7.1 21.9 19.2 81 81 A K S S+ 0 0 95 -2,-0.3 2,-0.5 -30,-0.2 -1,-0.1 0.642 93.2 85.9 -81.4 -24.4 -4.9 24.7 20.6 82 82 A D S > S- 0 0 104 1,-0.1 3,-2.0 -3,-0.1 4,-0.2 -0.723 81.2-135.0 -87.9 124.0 -4.9 23.1 24.1 83 83 A Y G > S+ 0 0 29 -2,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.453 93.5 86.8 -63.9 11.0 -2.1 20.4 24.3 84 84 A S G > S+ 0 0 61 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.850 75.5 69.7 -78.7 -27.5 -4.6 18.1 26.0 85 85 A V G < S+ 0 0 35 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.862 97.8 52.0 -58.6 -32.4 -5.6 17.0 22.5 86 86 A S G X S+ 0 0 1 -3,-0.7 3,-0.9 -4,-0.2 -1,-0.3 0.227 76.2 140.9 -91.0 3.3 -2.1 15.3 22.3 87 87 A A T < + 0 0 42 -3,-1.8 41,-0.3 1,-0.2 40,-0.1 -0.347 69.9 13.2 -55.5 133.8 -2.2 13.2 25.5 88 88 A G T 3 S+ 0 0 39 39,-1.4 -66,-0.4 1,-0.2 -1,-0.2 0.769 81.4 162.9 66.0 34.5 -0.7 9.8 25.2 89 89 A S < - 0 0 4 -3,-0.9 -1,-0.2 1,-0.1 -66,-0.2 -0.565 33.2-156.9 -75.2 144.8 1.0 10.2 21.8 90 90 A K S S+ 0 0 94 -68,-3.6 42,-2.1 1,-0.3 2,-0.3 0.745 86.4 28.1 -92.4 -27.1 3.7 7.6 21.0 91 91 A L E -bd 23 132A 1 -69,-1.5 -67,-2.3 40,-0.2 2,-0.5 -0.922 64.1-169.0-141.4 132.3 5.3 10.2 18.6 92 92 A V E -bd 24 133A 0 40,-2.0 42,-2.9 -2,-0.3 2,-0.6 -0.975 10.1-163.6-124.6 117.7 5.2 14.0 18.6 93 93 A V E -bd 25 134A 1 -69,-2.9 -67,-2.7 -2,-0.5 2,-0.6 -0.948 9.0-148.5-105.9 123.1 6.5 15.7 15.5 94 94 A I E +bd 26 135A 0 40,-2.6 42,-2.4 -2,-0.6 43,-1.5 -0.754 34.6 149.5-105.8 131.1 7.3 19.3 15.8 95 95 A T + 0 0 22 -69,-3.0 -68,-0.2 -2,-0.6 -63,-0.2 0.273 31.7 122.9-129.5 -2.0 6.9 21.6 12.9 96 96 A A + 0 0 19 -70,-0.5 2,-0.2 41,-0.1 41,-0.1 -0.464 43.2 79.9 -68.9 140.0 6.1 25.0 14.5 97 97 A G S S- 0 0 40 -2,-0.2 2,-0.0 40,-0.1 16,-0.0 -0.651 77.2 -67.2 146.1 160.1 8.4 27.9 13.6 98 98 A A - 0 0 35 11,-0.2 40,-0.4 -2,-0.2 2,-0.3 -0.344 49.8-143.9 -68.5 165.0 9.5 30.6 11.2 99 99 A R - 0 0 137 1,-0.1 2,-0.1 38,-0.1 -1,-0.1 -0.752 28.4 -75.1-127.2 166.6 10.9 29.4 7.9 100 100 A Q - 0 0 15 -2,-0.3 2,-0.2 4,-0.1 3,-0.1 -0.377 34.0-148.0 -65.3 133.8 13.7 30.6 5.7 101 101 A Q > - 0 0 154 1,-0.1 3,-2.0 4,-0.1 139,-0.1 -0.584 57.6 -67.1 -87.6 165.3 13.0 33.7 3.6 102 102 A E T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.329 124.7 12.8 -65.2 137.2 15.0 33.2 0.3 103 103 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 133,-0.1 -1,-0.3 0.279 95.5 127.1 86.2 -1.5 18.7 33.4 0.9 104 104 A E < - 0 0 34 -3,-2.0 -1,-0.3 132,-0.1 2,-0.1 -0.650 58.4-128.4 -92.3 135.5 18.4 33.1 4.7 105 105 A S > - 0 0 45 -2,-0.4 3,-1.2 1,-0.1 4,-0.2 -0.463 18.3-119.7 -75.4 158.2 20.4 30.4 6.3 106 106 A R G > S+ 0 0 8 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.819 111.4 67.5 -65.9 -27.8 18.6 28.0 8.7 107 107 A L G > S+ 0 0 32 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.755 86.0 67.2 -66.1 -27.1 20.9 29.3 11.4 108 108 A N G < S+ 0 0 104 -3,-1.2 -1,-0.3 1,-0.2 4,-0.3 0.560 91.9 64.0 -67.4 -11.2 19.3 32.7 11.4 109 109 A L G <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.2 5,-0.3 0.458 71.4 99.9 -95.1 -0.5 16.1 31.1 12.7 110 110 A V H <> S+ 0 0 24 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.841 82.0 44.2 -58.9 -46.6 17.4 30.0 16.1 111 111 A Q H > S+ 0 0 102 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.914 114.9 48.6 -67.3 -48.4 16.2 32.8 18.3 112 112 A R H > S+ 0 0 101 -4,-0.3 4,-0.8 1,-0.2 -2,-0.2 0.930 118.6 39.8 -53.1 -53.6 12.7 32.9 16.8 113 113 A N H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.761 110.1 57.2 -73.0 -40.2 12.3 29.1 17.1 114 114 A V H X S+ 0 0 5 -4,-3.1 4,-3.5 -5,-0.3 -1,-0.2 0.932 105.9 52.9 -51.3 -52.5 14.0 28.8 20.6 115 115 A N H < S+ 0 0 70 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.829 112.9 43.7 -52.6 -32.4 11.4 31.3 21.9 116 116 A I H >X S+ 0 0 57 -4,-0.8 4,-1.9 -3,-0.2 3,-1.8 0.883 112.0 53.2 -79.4 -44.6 8.5 29.0 20.4 117 117 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.943 98.1 63.2 -51.3 -53.7 10.1 25.9 21.7 118 118 A K H 3< S+ 0 0 93 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.636 111.5 40.0 -49.4 -23.8 10.3 27.3 25.2 119 119 A F H <> S+ 0 0 143 -3,-1.8 4,-0.7 -4,-0.2 -1,-0.2 0.841 118.2 44.1 -91.0 -42.5 6.5 27.4 25.2 120 120 A I H X S+ 0 0 12 -4,-1.9 4,-1.9 2,-0.1 -2,-0.2 0.804 101.8 62.0 -70.0 -38.5 5.7 24.1 23.3 121 121 A I H X S+ 0 0 4 -4,-2.6 4,-2.0 -5,-0.2 5,-0.4 0.953 99.2 52.5 -71.1 -44.9 8.1 21.5 25.0 122 122 A P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.958 113.2 45.0 -49.4 -50.5 6.8 21.7 28.6 123 123 A N H X S+ 0 0 55 -4,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.806 110.0 55.1 -63.0 -38.3 3.2 21.0 27.4 124 124 A I H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.992 115.5 37.0 -56.0 -60.0 4.2 18.2 25.1 125 125 A V H < S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 112.0 64.0 -63.0 -35.5 6.0 16.3 27.9 126 126 A K H < S+ 0 0 133 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.962 113.4 30.5 -52.0 -54.9 3.3 17.4 30.2 127 127 A H H < S+ 0 0 54 -4,-2.4 -39,-1.4 1,-0.3 -1,-0.2 0.562 132.0 30.6 -84.0 -18.8 0.7 15.5 28.2 128 128 A S >< + 0 0 3 -4,-1.6 3,-2.0 -41,-0.3 -1,-0.3 -0.467 63.1 175.2-143.3 74.0 2.7 12.6 26.9 129 129 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.617 82.5 42.8 -54.9 -25.5 5.5 11.8 29.5 130 130 A D T 3 S+ 0 0 136 -41,-0.2 2,-0.1 2,-0.1 -5,-0.1 0.050 87.9 123.1-109.1 18.0 6.7 8.7 27.5 131 131 A C < - 0 0 0 -3,-2.0 2,-0.5 -7,-0.1 -40,-0.2 -0.374 61.8-121.3 -75.7 174.6 6.6 10.0 23.9 132 132 A I E -d 91 0A 6 -42,-2.1 -40,-2.0 -2,-0.1 2,-0.4 -0.931 27.2-144.4-107.7 124.8 9.3 10.2 21.3 133 133 A I E -de 92 158A 3 24,-2.9 26,-2.5 -2,-0.5 2,-0.5 -0.800 12.5-167.9 -98.3 127.3 9.9 13.8 20.1 134 134 A L E -de 93 159A 4 -42,-2.9 -40,-2.6 -2,-0.4 2,-0.5 -0.951 9.5-155.5-110.2 101.8 10.8 14.2 16.5 135 135 A V E +de 94 160A 0 24,-2.9 26,-2.4 -2,-0.5 27,-0.3 -0.768 27.9 159.5 -84.9 139.3 12.0 17.7 15.7 136 136 A V + 0 0 14 -42,-2.4 4,-0.3 -2,-0.5 -41,-0.2 0.670 42.9 108.4-115.1 -34.4 11.7 19.0 12.1 137 137 A S S S- 0 0 10 -43,-1.5 6,-0.2 2,-0.1 24,-0.1 0.127 71.9 -72.6 -52.1 154.4 11.8 22.7 12.8 138 138 A N S S+ 0 0 32 -40,-0.4 -25,-0.2 1,-0.3 -40,-0.1 -0.915 120.3 34.2-100.1 150.3 14.9 24.7 11.8 139 139 A P S >> S- 0 0 6 0, 0.0 4,-2.9 0, 0.0 3,-0.9 -0.074 85.0-177.7 -74.3 104.4 17.6 25.0 12.6 140 140 A V H 3> S+ 0 0 1 -4,-0.3 4,-2.0 1,-0.3 5,-0.2 0.738 75.3 51.8 -44.0 -34.4 16.7 21.3 13.3 141 141 A D H 3> S+ 0 0 3 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.874 114.9 40.5 -75.2 -48.8 20.1 20.4 14.7 142 142 A V H X> S+ 0 0 1 -3,-0.9 4,-1.7 1,-0.2 3,-1.1 0.971 115.4 54.4 -60.1 -42.9 20.1 23.2 17.2 143 143 A L H 3X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.695 103.2 53.2 -70.1 -28.3 16.4 22.7 17.9 144 144 A T H 3X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.3 0.861 109.1 52.2 -70.6 -26.8 16.8 19.0 18.8 145 145 A Y H - 0 0 61 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.283 47.6-115.8 -51.6 126.9 16.4 10.3 27.9 155 155 A M G > S+ 0 0 72 1,-0.3 3,-1.1 2,-0.2 118,-0.1 0.695 110.3 65.9 -38.6 -32.7 18.6 11.3 25.0 156 156 A H G 3 S+ 0 0 72 1,-0.2 141,-2.0 140,-0.1 -1,-0.3 0.649 92.1 58.4 -75.2 -18.3 17.2 8.5 22.9 157 157 A R G < S+ 0 0 42 -3,-2.4 -24,-2.9 139,-0.2 2,-0.5 0.257 92.7 81.0 -89.9 6.5 13.7 9.7 22.7 158 158 A I E < +e 133 0A 0 -3,-1.1 2,-0.3 -26,-0.2 -24,-0.2 -0.972 57.8 168.0-119.0 116.8 14.8 12.9 21.0 159 159 A I E -e 134 0A 0 -26,-2.5 -24,-2.9 -2,-0.5 2,-0.3 -0.958 26.0-146.0-129.3 145.3 15.5 12.8 17.3 160 160 A G E -eF 135 271A 0 111,-1.3 111,-2.1 -2,-0.3 -24,-0.2 -0.867 24.9-128.6-103.4 153.4 16.0 15.5 14.6 161 161 A S > + 0 0 6 -26,-2.4 3,-1.5 -2,-0.3 4,-0.3 0.723 62.4 154.3 -64.1 -37.2 14.8 14.8 11.1 162 162 A G T > - 0 0 1 -27,-0.3 3,-0.7 1,-0.2 4,-0.3 0.098 58.3 -11.3 58.4-150.0 18.4 15.7 10.2 163 163 A C T 3> S+ 0 0 0 28,-0.2 4,-2.5 1,-0.2 26,-0.3 0.059 99.2 102.4 -75.2 7.5 20.1 14.5 7.1 164 164 A N H <> S+ 0 0 16 -3,-1.5 4,-0.7 105,-0.2 -1,-0.2 0.778 93.3 41.1 -54.9 -33.4 17.5 11.8 6.1 165 165 A L H <> S+ 0 0 10 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.2 0.868 112.7 52.5 -82.8 -45.7 16.4 14.3 3.5 166 166 A D H > S+ 0 0 2 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.898 111.2 46.8 -56.7 -44.7 19.8 15.4 2.6 167 167 A S H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.835 110.9 53.6 -74.0 -21.4 20.9 11.8 1.9 168 168 A A H < S+ 0 0 50 -4,-0.7 4,-0.4 2,-0.2 -1,-0.3 0.792 109.4 48.0 -74.8 -39.8 17.7 11.3 -0.1 169 169 A R H >X S+ 0 0 34 -4,-1.7 4,-1.7 2,-0.2 3,-0.5 0.874 111.3 51.6 -64.3 -41.8 18.6 14.4 -2.2 170 170 A F H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.932 110.4 46.7 -64.7 -47.5 22.1 13.0 -2.6 171 171 A R H 3X S+ 0 0 75 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.598 107.1 58.2 -74.0 -19.4 20.9 9.5 -3.8 172 172 A Y H <> S+ 0 0 141 -3,-0.5 4,-1.6 -4,-0.4 -1,-0.2 0.861 110.2 42.9 -74.3 -38.8 18.4 11.1 -6.2 173 173 A L H X S+ 0 0 21 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.857 112.8 52.5 -73.7 -40.7 21.2 12.9 -8.0 174 174 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.876 111.9 47.7 -52.4 -49.8 23.5 9.8 -7.9 175 175 A G H X>S+ 0 0 8 -4,-1.0 4,-1.9 2,-0.2 5,-1.6 0.850 106.2 57.0 -56.7 -49.4 20.5 8.0 -9.5 176 176 A E H <5S+ 0 0 128 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.893 115.8 37.4 -52.0 -41.9 20.0 10.7 -12.1 177 177 A R H <5S+ 0 0 98 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.846 120.5 39.9 -86.3 -41.2 23.7 10.2 -13.2 178 178 A L H <5S- 0 0 74 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.765 106.9-120.8 -81.3 -23.6 24.3 6.4 -13.0 179 179 A G T <5 + 0 0 63 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.903 69.8 124.8 80.7 56.9 20.8 5.7 -14.3 180 180 A V S - 0 0 132 -2,-0.3 3,-1.6 1,-0.2 4,-0.4 0.087 41.3-119.3 -39.1 132.3 16.7 4.1 -9.0 182 182 A S G > S+ 0 0 39 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.794 113.0 63.3 -50.3 -27.8 17.8 6.3 -6.0 183 183 A C G 3 S+ 0 0 70 1,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.737 99.9 50.7 -73.4 -21.9 17.0 3.3 -3.7 184 184 A S G < S+ 0 0 61 -3,-1.6 2,-0.5 -13,-0.1 23,-0.5 0.433 98.4 82.6 -87.8 -11.2 19.7 1.2 -5.4 185 185 A C < - 0 0 0 -3,-1.1 2,-0.5 -4,-0.4 21,-0.2 -0.938 66.6-160.4 -96.3 134.4 22.2 4.0 -4.9 186 186 A H B +J 205 0B 64 19,-2.8 19,-2.6 -2,-0.5 2,-0.3 -0.940 29.5 136.1-116.5 116.0 23.9 4.2 -1.5 187 187 A G - 0 0 2 -2,-0.5 2,-0.4 17,-0.2 -16,-0.2 -0.911 35.7-140.1-155.9 146.2 25.5 7.4 -0.4 188 188 A W - 0 0 55 12,-0.5 12,-2.2 -2,-0.3 2,-0.5 -0.819 10.8-166.1-120.8 133.5 25.4 9.2 3.0 189 189 A V B +L 199 0C 0 -2,-0.4 10,-0.2 -26,-0.3 2,-0.2 -0.939 24.9 161.7-113.7 127.2 25.1 12.8 4.1 190 190 A I + 0 0 0 8,-3.5 2,-0.2 -2,-0.5 98,-0.2 -0.791 32.9 56.2-131.8-176.4 25.9 13.5 7.8 191 191 A G B S+G 287 0A 0 96,-1.9 96,-2.4 6,-0.3 6,-0.2 -0.621 99.0 6.0 86.2-159.6 26.8 16.4 10.0 192 192 A E - 0 0 9 4,-0.5 2,-2.2 -2,-0.2 94,-0.1 -0.214 67.3-120.1 -61.9 146.2 24.6 19.5 10.0 193 193 A H S S+ 0 0 18 3,-0.1 2,-0.3 4,-0.1 -52,-0.2 -0.641 93.8 31.9 -80.0 79.0 21.2 19.7 8.3 194 194 A G S > S- 0 0 3 -2,-2.2 3,-1.8 -55,-0.1 -2,-0.0 -0.994 115.7 -16.8 166.6-158.5 22.7 22.6 6.4 195 195 A D T 3 S+ 0 0 85 -2,-0.3 37,-0.1 1,-0.3 121,-0.1 0.700 124.0 51.2 -56.1 -25.2 25.6 24.3 4.7 196 196 A S T 3 S+ 0 0 29 120,-0.1 -4,-0.5 119,-0.1 -1,-0.3 -0.025 75.5 144.2-106.0 26.4 28.2 22.3 6.6 197 197 A V < - 0 0 2 -3,-1.8 2,-0.5 -6,-0.2 -6,-0.3 -0.387 44.9-133.0 -56.0 129.9 26.9 18.8 5.8 198 198 A P - 0 0 1 0, 0.0 -8,-3.5 0, 0.0 2,-0.5 -0.886 10.4-151.8 -98.5 133.1 29.6 16.1 5.3 199 199 A S B -L 189 0C 0 -2,-0.5 2,-1.2 -10,-0.2 -10,-0.2 -0.956 13.2-138.3 -96.7 123.4 29.3 13.8 2.3 200 200 A V >> + 0 0 8 -12,-2.2 3,-1.5 -2,-0.5 4,-0.8 -0.676 25.0 177.1 -90.7 90.5 30.9 10.3 2.9 201 201 A W G >4 S+ 0 0 8 -2,-1.2 3,-0.8 1,-0.3 11,-0.4 0.886 76.3 58.6 -62.8 -33.9 32.6 9.8 -0.5 202 202 A S G 34 S+ 0 0 13 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.315 101.6 53.3 -86.4 8.3 34.1 6.5 0.7 203 203 A G G <4 S+ 0 0 25 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.592 79.4 120.8-111.2 -21.6 30.7 4.9 1.5 204 204 A M << + 0 0 0 -3,-0.8 7,-2.7 -4,-0.8 8,-0.5 -0.189 38.5 148.2 -53.0 128.4 29.3 5.5 -1.9 205 205 A N E -JK 186 210B 36 -19,-2.6 -19,-2.8 5,-0.2 2,-0.4 -0.981 44.6-152.4-164.1 154.7 28.2 2.4 -3.7 206 206 A V E > S- K 0 209B 30 3,-1.1 3,-1.3 -2,-0.3 -21,-0.1 -0.968 97.2 -10.0-130.8 109.5 25.9 0.6 -6.1 207 207 A A T 3 S- 0 0 74 -23,-0.5 3,-0.1 -2,-0.4 -22,-0.1 0.833 129.3 -56.9 65.0 40.0 25.6 -3.2 -5.2 208 208 A S T 3 S+ 0 0 110 1,-0.2 2,-0.6 -22,-0.0 -1,-0.3 0.408 105.5 134.9 74.0 1.9 28.4 -3.0 -2.7 209 209 A I E < -K 206 0B 92 -3,-1.3 -3,-1.1 1,-0.0 2,-0.4 -0.728 56.9-129.0 -84.2 118.2 30.8 -1.7 -5.5 210 210 A K E -K 205 0B 67 -2,-0.6 4,-0.4 -5,-0.2 -5,-0.2 -0.458 12.5-160.0 -73.0 118.5 32.8 1.3 -4.2 211 211 A L S >> S+ 0 0 20 -7,-2.7 4,-2.5 -2,-0.4 3,-1.1 0.900 91.5 61.1 -64.3 -31.8 32.5 4.4 -6.5 212 212 A H H 3> S+ 0 0 25 -8,-0.5 4,-2.3 -11,-0.4 6,-0.3 0.826 103.6 44.6 -63.5 -46.2 35.7 5.6 -4.8 213 213 A P H 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.372 115.4 50.4 -75.8 -10.8 38.0 2.7 -5.8 214 214 A L H <4 S+ 0 0 131 -3,-1.1 -2,-0.2 -4,-0.4 -3,-0.1 0.748 130.7 17.3 -90.3 -38.2 36.6 2.9 -9.3 215 215 A D H < S- 0 0 64 -4,-2.5 2,-1.6 -5,-0.1 -3,-0.2 0.879 73.8-175.9-103.5 -61.7 37.2 6.7 -9.6 216 216 A G S < S+ 0 0 43 -4,-2.3 3,-0.3 -5,-0.3 -1,-0.1 -0.277 80.4 63.8 98.1 -58.8 39.7 7.5 -6.8 217 217 A T S >> S+ 0 0 56 -2,-1.6 3,-2.7 1,-0.2 4,-0.8 0.433 71.3 113.2 -79.5 -0.1 39.6 11.3 -7.5 218 218 A N T 34 + 0 0 1 -6,-0.3 6,-0.3 1,-0.3 -1,-0.2 0.868 64.4 61.8 -39.4 -67.6 35.8 11.1 -6.5 219 219 A K T 34 S+ 0 0 46 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.525 127.5 3.8 -40.5 -5.4 36.2 13.3 -3.3 220 220 A D T <4>S+ 0 0 72 -3,-2.7 5,-0.6 1,-0.2 3,-0.4 0.422 108.2 52.6-145.6 -81.9 37.4 16.1 -5.7 221 221 A K T <5S+ 0 0 151 -4,-0.8 -1,-0.2 1,-0.2 -4,-0.1 -0.605 85.5 48.0 -92.3 137.5 37.6 16.3 -9.6 222 222 A Q T 5S- 0 0 124 -2,-0.3 -1,-0.2 2,-0.0 -4,-0.1 0.317 113.0 -88.3 119.7 11.3 35.0 15.6 -12.3 223 223 A D T 5S+ 0 0 106 -3,-0.4 4,-0.3 -5,-0.1 3,-0.2 0.790 94.1 128.4 60.9 30.6 32.3 17.6 -10.6 224 224 A W T > 5S+ 0 0 21 -6,-0.3 3,-0.7 1,-0.2 4,-0.4 0.642 71.8 61.7 -76.8 -22.8 31.2 14.6 -8.6 225 225 A K T >> S+ 0 0 81 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.824 84.7 64.6 -64.0 -27.9 28.9 19.0 -7.5 227 227 A L H <> S+ 0 0 2 -3,-0.7 4,-0.5 -4,-0.3 -1,-0.2 0.865 105.8 42.2 -60.9 -39.8 26.4 16.4 -6.2 228 228 A H H X> S+ 0 0 23 -3,-0.5 4,-2.1 -4,-0.4 3,-0.6 0.900 113.6 56.3 -67.8 -41.9 27.2 17.6 -2.7 229 229 A K H 3X S+ 0 0 114 -4,-1.8 4,-1.7 1,-0.3 3,-0.3 0.902 106.6 45.7 -54.7 -55.6 27.1 21.1 -4.0 230 230 A D H 3X S+ 0 0 35 -4,-3.3 4,-1.7 1,-0.2 -1,-0.3 0.558 109.1 60.3 -67.8 -20.8 23.6 20.7 -5.4 231 231 A V H X S+ 0 0 67 -4,-1.7 3,-1.7 -5,-0.2 4,-1.6 0.821 90.7 83.6 -71.3 -39.9 21.9 24.4 -2.6 234 234 A S H 3X S+ 0 0 17 -4,-1.7 4,-2.1 1,-0.3 5,-0.2 0.699 87.5 51.0 -36.8 -54.1 18.6 22.5 -3.1 235 235 A A H 3X S+ 0 0 2 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.3 0.842 112.1 50.1 -55.4 -38.7 16.7 24.0 -0.2 236 236 A Y H <> S+ 0 0 42 -3,-1.7 4,-2.2 -4,-0.3 -2,-0.2 0.897 110.7 47.4 -71.3 -36.1 17.6 27.4 -1.4 237 237 A E H X S+ 0 0 104 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.914 111.4 49.4 -66.4 -46.5 16.5 26.8 -5.0 238 238 A V H X>S+ 0 0 49 -4,-2.1 4,-3.3 2,-0.2 5,-0.9 0.954 110.2 53.5 -60.6 -41.6 13.2 25.3 -4.1 239 239 A I H X5S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.952 109.6 45.5 -60.8 -48.5 12.6 28.3 -1.8 240 240 A K H <5S+ 0 0 134 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.807 121.9 38.2 -66.7 -31.2 13.2 30.9 -4.5 241 241 A L H <5S+ 0 0 121 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.812 137.2 14.3 -76.5 -54.3 11.1 29.1 -7.0 242 242 A K H <5S- 0 0 87 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.697 97.0-119.0 -97.3 -32.3 8.3 27.8 -4.9 243 243 A G S < + 0 0 5 -2,-0.4 4,-2.3 -216,-0.1 5,-0.1 0.437 58.5 51.9-137.1 -62.5 7.1 20.7 1.9 247 247 A W H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.806 105.7 54.0 -63.5 -35.8 6.6 17.5 0.1 248 248 A A H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 113.0 43.7 -66.9 -37.8 10.2 16.1 0.3 249 249 A I H > S+ 0 0 12 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.940 107.2 59.4 -76.5 -30.4 10.3 16.5 4.1 250 250 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.947 113.1 40.0 -58.7 -48.6 6.7 15.1 4.6 251 251 A L H X S+ 0 0 108 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.941 113.1 53.0 -65.9 -45.9 8.0 11.9 3.0 252 252 A S H X S+ 0 0 10 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.890 113.1 46.5 -56.0 -37.7 11.3 12.0 4.7 253 253 A V H X S+ 0 0 1 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.899 108.9 52.4 -74.1 -43.8 9.4 12.3 8.0 254 254 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.769 105.3 56.6 -55.9 -41.0 6.9 9.5 7.3 255 255 A D H X S+ 0 0 50 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.909 110.2 46.1 -54.7 -42.5 9.8 7.2 6.5 256 256 A L H X S+ 0 0 2 -4,-1.2 4,-1.5 -5,-0.2 -2,-0.2 0.892 110.4 50.3 -70.8 -49.8 11.1 7.9 9.9 257 257 A A H X S+ 0 0 4 -4,-2.5 4,-3.6 2,-0.2 5,-0.2 0.819 108.5 56.7 -59.0 -31.3 7.7 7.5 11.7 258 258 A E H X S+ 0 0 34 -4,-1.8 4,-3.7 2,-0.2 5,-0.3 0.990 104.1 48.5 -63.6 -64.4 7.4 4.1 9.9 259 259 A T H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 6,-0.5 0.866 119.2 44.2 -41.6 -37.7 10.6 2.7 11.2 260 260 A I H ><5S+ 0 0 3 -4,-1.5 3,-1.6 2,-0.2 -2,-0.2 0.983 114.4 43.2 -74.7 -58.1 9.4 3.9 14.6 261 261 A M H 3<5S+ 0 0 31 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.815 121.4 44.5 -63.6 -27.4 5.8 2.8 14.6 262 262 A K T 3<5S- 0 0 106 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.256 99.9-132.9 -95.1 -0.1 6.9 -0.6 13.1 263 263 A N T < 5 + 0 0 81 -3,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.923 51.6 154.7 50.5 46.7 10.0 -1.2 15.4 264 264 A L < - 0 0 78 -5,-2.0 29,-0.2 -6,-0.2 -1,-0.1 0.628 45.5-137.8 -84.2 -18.1 11.9 -2.0 12.2 265 265 A C + 0 0 68 27,-1.0 2,-0.2 -6,-0.5 28,-0.2 0.891 41.2 164.8 55.6 55.4 15.4 -1.2 13.4 266 266 A R E - H 0 292A 77 26,-0.5 26,-1.7 -7,-0.0 2,-0.4 -0.660 40.3-111.6-102.6 156.3 16.4 0.6 10.1 267 267 A V E + H 0 291A 66 -2,-0.2 24,-0.2 24,-0.2 33,-0.1 -0.749 42.4 167.7 -90.1 123.8 19.5 2.9 9.7 268 268 A H E - H 0 290A 7 22,-1.9 22,-2.6 -2,-0.4 2,-1.1 -0.983 40.6-122.0-138.3 136.2 18.7 6.6 9.1 269 269 A P E + H 0 289A 5 0, 0.0 2,-0.3 0, 0.0 -105,-0.2 -0.822 57.1 147.9 -74.5 99.5 20.9 9.7 9.2 270 270 A V E - H 0 288A 0 18,-1.4 18,-1.5 -2,-1.1 2,-0.5 -0.821 52.0 -78.5-127.5 178.9 19.1 11.7 12.0 271 271 A S E +FH 160 287A 0 -111,-2.1 -111,-1.3 -2,-0.3 16,-0.2 -0.673 58.8 147.9 -91.5 127.2 20.1 14.2 14.7 272 272 A T E - H 0 286A 3 14,-2.2 14,-1.6 -2,-0.5 2,-0.6 -0.763 55.3 -69.6-136.0 179.1 21.7 12.8 17.9 273 273 A M E - H 0 285A 21 -2,-0.2 12,-0.2 12,-0.2 10,-0.1 -0.674 42.0-178.6 -76.7 115.8 24.2 13.5 20.7 274 274 A V > + 0 0 0 10,-3.5 3,-1.6 -2,-0.6 6,-0.3 0.341 31.9 135.1-101.5 4.2 27.6 13.3 19.0 275 275 A K T 3 S+ 0 0 79 9,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.334 71.2 17.2 -57.9 124.2 29.6 13.9 22.1 276 276 A D T 3 S+ 0 0 138 4,-3.0 2,-0.4 1,-0.3 -1,-0.3 0.580 101.1 106.2 92.5 6.1 32.5 11.6 22.5 277 277 A F S X S+ 0 0 47 -3,-1.6 3,-2.3 3,-0.2 -1,-0.3 -0.971 87.9 0.2-117.3 143.0 32.6 10.4 18.9 278 278 A Y T 3 S- 0 0 29 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.715 129.5 -60.9 48.8 36.6 35.2 11.6 16.5 279 279 A G T 3 S+ 0 0 70 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.540 88.9 157.8 72.3 8.8 36.9 13.6 19.1 280 280 A I < - 0 0 7 -3,-2.3 -4,-3.0 -6,-0.3 -1,-0.3 -0.551 20.8-172.4 -73.4 127.7 33.8 15.9 19.7 281 281 A K + 0 0 120 -2,-0.4 2,-0.2 -6,-0.2 -1,-0.1 0.706 53.4 65.3 -90.3 -29.9 34.0 17.4 23.2 282 282 A D S S- 0 0 45 -8,-0.1 2,-2.1 1,-0.0 -6,-0.1 -0.481 92.3 -92.4-106.4 170.9 30.7 19.1 23.6 283 283 A N + 0 0 41 -2,-0.2 2,-0.4 -8,-0.1 -1,-0.0 -0.496 67.6 156.3 -73.3 63.9 27.0 18.4 23.8 284 284 A V - 0 0 1 -2,-2.1 -10,-3.5 40,-0.0 2,-0.4 -0.854 32.9-151.1-104.2 141.4 26.5 18.8 20.0 285 285 A F E + H 0 273A 1 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.885 32.3 140.1-107.7 132.2 23.6 17.3 18.0 286 286 A L E - H 0 272A 0 -14,-1.6 -14,-2.2 -2,-0.4 2,-0.2 -0.924 55.5 -79.2-158.7 170.6 24.2 16.4 14.3 287 287 A S E +GH 191 271A 0 -96,-2.4 -96,-1.9 -2,-0.3 -16,-0.2 -0.514 49.7 159.7 -86.6 139.7 23.1 13.5 12.0 288 288 A L E - H 0 270A 0 -18,-1.5 -18,-1.4 -2,-0.2 2,-0.7 -0.818 56.7 -77.2-137.2 169.7 25.0 10.2 12.2 289 289 A P E - H 0 269A 4 0, 0.0 12,-3.8 0, 0.0 2,-0.3 -0.693 60.6-174.9 -75.4 116.3 23.7 6.8 11.0 290 290 A C E -IH 300 268A 0 -22,-2.6 -22,-1.9 -2,-0.7 2,-0.6 -0.857 28.4-132.2-116.2 143.0 21.3 5.6 13.7 291 291 A V E -IH 299 267A 23 8,-3.7 7,-3.5 -2,-0.3 8,-1.4 -0.866 32.4-162.7 -90.4 125.1 19.3 2.4 14.3 292 292 A L E +IH 297 266A 0 -26,-1.7 -27,-1.0 -2,-0.6 -26,-0.5 -0.795 16.3 161.9-117.4 146.1 15.6 3.4 15.2 293 293 A N E > -I 296 0A 26 3,-2.8 3,-2.9 -2,-0.3 -33,-0.1 -0.805 58.1 -69.2-142.4-172.8 12.9 1.4 16.9 294 294 A D T 3 S+ 0 0 66 1,-0.3 3,-0.1 -2,-0.2 -34,-0.1 0.395 130.2 46.7 -66.3 -4.1 9.6 1.9 18.7 295 295 A H T 3 S- 0 0 122 1,-0.5 -1,-0.3 -164,-0.0 2,-0.3 0.146 119.7 -96.7-123.9 6.4 11.3 3.4 21.6 296 296 A G E < S+I 293 0A 0 -3,-2.9 -3,-2.8 -139,-0.1 -1,-0.5 -0.789 84.3 7.6 125.0-148.6 13.7 5.8 19.8 297 297 A I E -I 292 0A 18 -141,-2.0 -5,-0.3 -2,-0.3 3,-0.1 -0.588 55.6-178.2 -77.0 121.8 17.3 5.5 18.8 298 298 A S E - 0 0 50 -7,-3.5 2,-0.3 -2,-0.5 -6,-0.2 0.709 63.5 -12.4 -90.7 -36.9 18.4 2.0 19.5 299 299 A N E -I 291 0A 96 -8,-1.4 -8,-3.7 -143,-0.1 -1,-0.3 -0.955 58.0-125.1-166.1 155.0 22.0 2.3 18.4 300 300 A I E -I 290 0A 52 -2,-0.3 2,-0.5 -10,-0.3 -10,-0.3 -0.827 26.0-129.5-104.1 147.8 24.4 4.6 16.6 301 301 A V - 0 0 56 -12,-3.8 2,-0.6 -2,-0.3 -2,-0.0 -0.905 19.1-135.8-103.0 124.7 26.5 3.2 13.7 302 302 A K - 0 0 172 -2,-0.5 2,-0.3 -14,-0.1 -14,-0.0 -0.797 20.9-150.4 -82.6 118.6 30.2 4.0 14.1 303 303 A M - 0 0 39 -2,-0.6 2,-1.2 1,-0.0 0, 0.0 -0.731 13.1-135.5 -92.5 139.7 31.6 5.2 10.7 304 304 A K - 0 0 195 -2,-0.3 2,-0.3 6,-0.0 -2,-0.0 -0.834 36.4-160.9 -92.2 89.1 35.2 4.6 9.7 305 305 A L - 0 0 19 -2,-1.2 -105,-0.0 1,-0.1 -27,-0.0 -0.634 12.8-125.0 -81.6 141.0 35.7 8.2 8.4 306 306 A K > - 0 0 80 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.292 37.2 -96.8 -70.7 166.4 38.5 9.0 6.0 307 307 A P H > S+ 0 0 99 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.885 121.8 43.1 -60.5 -35.5 40.8 11.9 7.1 308 308 A N H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.849 115.7 46.8 -81.9 -33.5 39.1 14.6 5.1 309 309 A E H > S+ 0 0 3 2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.891 111.3 51.5 -68.4 -50.1 35.5 13.6 6.0 310 310 A E H X S+ 0 0 61 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.894 110.2 50.5 -56.8 -38.8 36.4 13.3 9.6 311 311 A Q H X S+ 0 0 114 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.3 0.892 109.7 50.9 -68.1 -36.3 37.9 16.8 9.2 312 312 A Q H X S+ 0 0 70 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.907 107.7 51.6 -64.9 -45.3 34.6 17.9 7.7 313 313 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.843 107.9 54.6 -59.6 -35.8 32.5 16.4 10.5 314 314 A Q H X S+ 0 0 63 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.863 109.1 45.1 -65.2 -48.8 34.7 18.3 13.0 315 315 A K H >X S+ 0 0 156 -4,-1.5 4,-2.5 -3,-0.2 3,-1.5 0.984 112.6 52.5 -57.3 -57.9 34.1 21.7 11.3 316 316 A S H 3X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.888 109.7 48.0 -44.2 -57.5 30.3 20.9 11.1 317 317 A A H 3X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.818 113.3 51.5 -55.3 -31.0 30.2 20.1 14.8 318 318 A T H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.3 3,-0.6 0.819 106.8 53.3 -83.0 -34.2 27.1 24.4 15.6 321 321 A W H 3X S+ 0 0 30 -4,-1.5 4,-2.8 1,-0.2 3,-0.3 0.970 100.7 61.2 -66.6 -47.2 28.7 24.6 19.0 322 322 A D H 3X S+ 0 0 111 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.689 111.4 43.2 -50.1 -19.1 29.5 28.3 18.5 323 323 A I H <4 S+ 0 0 43 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.871 114.4 44.9 -93.6 -45.1 25.7 28.6 18.3 324 324 A Q H >< S+ 0 0 3 -4,-2.0 3,-3.5 -3,-0.3 -2,-0.2 0.950 102.0 68.7 -65.1 -51.8 24.6 26.4 21.1 325 325 A K H 3< S+ 0 0 134 -4,-2.8 2,-0.2 1,-0.3 -1,-0.2 0.869 102.5 45.6 -26.8 -63.3 27.2 27.8 23.5 326 326 A D T 3< S+ 0 0 132 -4,-0.5 2,-0.7 -5,-0.2 -1,-0.3 0.140 79.2 130.3 -76.4 19.3 25.3 31.2 23.5 327 327 A L < - 0 0 20 -3,-3.5 2,-0.4 -2,-0.2 -3,-0.1 -0.689 48.8-147.7 -80.7 117.1 21.8 29.7 24.0 328 328 A K 0 0 176 -2,-0.7 -2,-0.1 1,-0.2 -3,-0.0 -0.718 360.0 360.0 -83.9 126.8 20.1 31.6 26.8 329 329 A F 0 0 115 -2,-0.4 -1,-0.2 -211,-0.0 -2,-0.0 0.707 360.0 360.0-104.0 360.0 17.7 29.5 28.9