==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-01 1JQ5 . COMPND 2 MOLECULE: GLYCEROL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR S.N.RUZHEINIKOV,J.BURKE,S.SEDELNIKOVA,P.J.BAKER,R.TAYLOR, . 366 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 43.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.0 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 2 1 0 1 1 0 1 0 2 1 1 0 0 0 1 0 1 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A 0 0 169 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.6 8.3 35.8 -11.5 2 3 A A - 0 0 46 192,-0.0 2,-0.3 1,-0.0 192,-0.1 -0.749 360.0-114.6-109.4 156.9 10.3 36.1 -8.4 3 4 A E - 0 0 147 -2,-0.3 192,-2.5 190,-0.1 2,-0.4 -0.686 20.4-143.8 -92.3 147.6 14.0 35.4 -7.9 4 5 A R B -a 195 0A 142 -2,-0.3 2,-0.4 190,-0.3 193,-0.1 -0.883 17.9-168.6-108.1 140.7 15.3 32.6 -5.8 5 6 A V - 0 0 42 190,-1.2 2,-0.4 -2,-0.4 192,-0.3 -0.993 9.9-175.2-133.5 139.2 18.5 33.1 -3.8 6 7 A F - 0 0 85 -2,-0.4 2,-0.3 190,-0.1 238,-0.0 -0.998 7.0-179.3-132.2 134.4 20.7 30.7 -1.9 7 8 A I + 0 0 50 -2,-0.4 241,-0.1 237,-0.1 185,-0.1 -0.888 5.0 172.7-129.6 160.3 23.7 31.7 0.2 8 9 A S - 0 0 53 -2,-0.3 139,-0.4 139,-0.1 2,-0.1 -0.992 39.5 -93.3-163.7 157.0 26.2 29.6 2.1 9 10 A P - 0 0 6 0, 0.0 140,-0.2 0, 0.0 3,-0.1 -0.384 46.7-117.8 -65.4 155.7 29.4 29.6 4.2 10 11 A A S S+ 0 0 83 138,-1.7 2,-0.4 1,-0.2 139,-0.2 0.896 89.2 11.2 -70.3 -37.5 32.3 28.8 1.8 11 12 A K E -b 150 0B 115 138,-0.6 140,-2.2 137,-0.4 2,-0.4 -0.991 57.8-169.4-148.2 134.6 33.4 25.6 3.5 12 13 A Y E -b 151 0B 46 -2,-0.4 2,-0.4 138,-0.2 140,-0.2 -0.994 10.9-178.0-122.5 127.2 31.9 23.4 6.2 13 14 A V E +b 152 0B 24 138,-2.8 140,-3.1 -2,-0.4 2,-0.4 -0.993 3.9 176.5-129.5 129.3 34.1 20.6 7.7 14 15 A Q E +b 153 0B 44 -2,-0.4 2,-0.3 138,-0.2 140,-0.2 -0.992 19.6 104.1-136.2 135.4 32.8 18.2 10.3 15 16 A G E > -b 154 0B 12 138,-2.4 3,-1.2 -2,-0.4 140,-0.9 -0.936 66.6 -59.7 173.1 171.8 34.4 15.2 12.0 16 17 A K T 3 S- 0 0 123 -2,-0.3 138,-0.1 1,-0.2 -2,-0.0 -0.497 115.9 -3.1 -73.4 130.5 36.0 13.8 15.1 17 18 A N T > S+ 0 0 67 -2,-0.2 3,-1.7 1,-0.1 -1,-0.2 0.648 81.7 140.6 65.9 19.9 39.2 15.6 16.2 18 19 A V G X + 0 0 11 -3,-1.2 3,-2.1 1,-0.3 4,-0.2 0.716 56.7 78.5 -66.2 -17.3 39.2 18.0 13.3 19 20 A I G > S+ 0 0 8 1,-0.3 3,-1.3 -4,-0.2 -1,-0.3 0.811 84.9 63.6 -59.5 -28.0 40.3 20.8 15.6 20 21 A T G < S+ 0 0 66 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.542 97.6 55.4 -76.0 -5.5 43.8 19.2 15.3 21 22 A K G X> S+ 0 0 100 -3,-2.1 4,-1.6 -4,-0.1 3,-0.7 0.305 72.7 108.5-105.0 8.0 43.9 20.0 11.6 22 23 A I H <> S+ 0 0 0 -3,-1.3 4,-0.7 1,-0.3 3,-0.3 0.897 75.7 54.0 -54.8 -40.6 43.2 23.7 12.1 23 24 A A H >> S+ 0 0 19 1,-0.2 3,-0.8 -4,-0.2 4,-0.7 0.884 106.9 53.3 -61.4 -37.0 46.8 24.7 11.1 24 25 A N H <4 S+ 0 0 93 -3,-0.7 3,-0.4 1,-0.2 4,-0.3 0.830 104.7 53.6 -65.8 -35.4 46.4 22.7 7.9 25 26 A Y H 3< S+ 0 0 71 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.587 113.7 43.7 -76.1 -9.3 43.2 24.5 6.9 26 27 A L H XX S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.7 3,-0.7 0.478 77.8 106.2-113.2 -2.8 45.0 27.9 7.3 27 28 A E T 3< S+ 0 0 154 -4,-0.7 -2,-0.1 -3,-0.4 3,-0.1 0.894 88.9 37.2 -44.5 -55.7 48.3 27.3 5.6 28 29 A G T 34 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.763 113.8 60.5 -70.4 -21.5 47.6 29.3 2.5 29 30 A I T <4 S- 0 0 77 -3,-0.7 2,-0.3 1,-0.2 -2,-0.2 0.899 109.1 -61.4 -74.5 -49.6 45.6 32.0 4.3 30 31 A G < - 0 0 20 -4,-1.6 -1,-0.2 -3,-0.1 3,-0.1 -0.985 22.6-123.6 176.8 179.5 47.9 33.6 6.9 31 32 A N S S+ 0 0 86 -2,-0.3 28,-3.5 1,-0.1 2,-0.5 0.262 85.7 73.2-130.9 8.6 50.1 33.3 10.0 32 33 A K E +c 59 0B 81 26,-0.2 55,-2.5 53,-0.1 56,-1.2 -0.966 58.8 162.5-130.4 117.4 48.6 35.8 12.3 33 34 A T E -cd 60 88B 3 26,-1.8 28,-2.6 -2,-0.5 2,-0.4 -0.777 32.3-139.6-128.4 168.3 45.3 35.1 14.0 34 35 A V E -cd 61 89B 0 54,-1.8 56,-2.5 -2,-0.3 2,-0.5 -0.990 19.3-154.0-126.1 134.8 43.2 36.2 16.9 35 36 A V E -cd 62 90B 0 26,-3.0 28,-2.7 -2,-0.4 2,-0.5 -0.965 7.7-163.9-116.4 124.6 41.4 33.5 18.9 36 37 A I E +cd 63 91B 0 54,-2.8 56,-2.6 -2,-0.5 2,-0.3 -0.934 24.6 137.2-113.4 125.5 38.2 34.4 20.8 37 38 A A E -c 64 0B 0 26,-1.7 28,-3.1 -2,-0.5 56,-0.1 -0.977 46.4-112.3-155.9 159.0 36.7 32.2 23.5 38 39 A D > - 0 0 44 54,-0.4 4,-2.1 -2,-0.3 5,-0.2 -0.329 48.1 -90.4 -86.4 177.1 35.1 32.7 27.0 39 40 A E H > S+ 0 0 142 26,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.859 125.1 46.2 -57.5 -40.6 36.8 31.4 30.1 40 41 A I H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.930 113.5 47.7 -68.3 -47.1 35.2 28.0 30.1 41 42 A V H >>S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-2.5 0.813 100.5 66.1 -68.6 -28.7 35.8 27.3 26.4 42 43 A W H <>S+ 0 0 13 -4,-2.1 5,-2.4 1,-0.2 6,-0.3 0.936 107.6 42.4 -58.8 -38.0 39.5 28.4 26.7 43 44 A K H <5S+ 0 0 158 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.863 116.5 47.1 -74.3 -35.8 40.0 25.4 28.8 44 45 A I H <5S- 0 0 99 -4,-1.6 -2,-0.2 3,-0.1 -1,-0.2 0.876 141.6 -22.4 -74.8 -38.6 37.9 23.0 26.7 45 46 A A T X5S+ 0 0 2 -4,-2.8 4,-2.2 -5,-0.1 -3,-0.2 0.525 113.2 85.6-147.8 -22.0 39.3 23.9 23.3 46 47 A G H > S+ 0 0 59 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.906 109.3 47.8 -59.9 -41.5 44.3 23.1 22.2 49 50 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.4 49.7 -65.5 -47.2 43.7 25.3 19.2 50 51 A V H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.949 109.4 53.7 -57.3 -45.6 46.4 27.8 20.1 51 52 A N H X S+ 0 0 83 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.919 108.8 48.1 -54.7 -47.3 48.9 24.8 20.5 52 53 A E H < S+ 0 0 35 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.859 112.0 49.8 -63.4 -36.1 48.1 23.5 17.1 53 54 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 3,-1.0 0.911 109.4 51.1 -69.1 -41.1 48.5 26.9 15.5 54 55 A K H ><5S+ 0 0 128 -4,-2.9 3,-2.6 1,-0.3 -2,-0.2 0.930 104.3 57.2 -59.9 -45.6 51.9 27.4 17.3 55 56 A K T 3<5S+ 0 0 155 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.666 109.3 47.9 -58.9 -17.7 53.1 24.0 16.0 56 57 A G T < 5S- 0 0 36 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.209 119.7-110.9-107.8 14.3 52.4 25.4 12.6 57 58 A N T < 5S+ 0 0 145 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.797 72.4 140.1 61.4 30.5 54.2 28.7 13.2 58 59 A I < - 0 0 11 -5,-2.9 -1,-0.2 -8,-0.1 -26,-0.2 -0.912 48.3-133.8-104.5 129.8 50.9 30.6 13.1 59 60 A A E -c 32 0B 54 -28,-3.5 -26,-1.8 -2,-0.5 2,-0.3 -0.461 19.3-161.6 -80.4 155.2 50.7 33.3 15.8 60 61 A A E -c 33 0B 20 -28,-0.2 2,-0.5 -2,-0.1 -26,-0.2 -0.896 14.3-151.2-146.9 114.8 47.7 33.7 17.9 61 62 A E E -c 34 0B 88 -28,-2.6 -26,-3.0 -2,-0.3 2,-0.6 -0.708 27.1-137.1 -78.1 125.5 46.5 36.6 20.0 62 63 A E E -c 35 0B 93 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.759 23.6-175.4 -92.0 119.4 44.5 35.2 22.9 63 64 A V E -c 36 0B 2 -28,-2.7 -26,-1.7 -2,-0.6 2,-0.8 -0.939 19.4-146.4-116.9 132.4 41.3 37.0 23.7 64 65 A V E -c 37 0B 74 -2,-0.4 -26,-0.2 -28,-0.2 2,-0.2 -0.881 24.7-136.6 -97.4 112.1 38.9 36.2 26.6 65 66 A F - 0 0 5 -28,-3.1 -26,-0.4 -2,-0.8 4,-0.1 -0.477 7.1-133.6 -69.4 134.6 35.4 36.9 25.4 66 67 A S - 0 0 76 2,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.817 42.2-108.9 -58.5 -36.9 33.2 38.8 27.9 67 68 A G S S+ 0 0 35 1,-0.3 2,-0.4 29,-0.1 -1,-0.1 0.240 88.8 83.8 123.6 -13.4 30.2 36.5 27.5 68 69 A E S S- 0 0 28 28,-0.1 2,-1.8 2,-0.1 -1,-0.3 -0.975 74.2-129.3-126.5 139.8 27.8 38.8 25.7 69 70 A A + 0 0 0 -2,-0.4 63,-3.5 61,-0.1 2,-0.3 -0.592 57.6 146.4 -82.6 78.9 27.6 39.7 22.0 70 71 A S B > -g 132 0C 3 -2,-1.8 4,-2.5 61,-0.2 5,-0.2 -0.795 61.8-115.1-118.4 162.1 27.6 43.4 22.4 71 72 A R H > S+ 0 0 147 61,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.877 115.3 53.4 -60.1 -41.6 28.9 46.4 20.4 72 73 A N H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 109.1 47.7 -61.5 -45.9 31.4 47.3 23.1 73 74 A E H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.930 111.6 51.2 -60.9 -45.7 32.9 43.8 23.2 74 75 A V H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 111.0 48.0 -56.0 -47.9 33.1 43.8 19.4 75 76 A E H X S+ 0 0 91 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.937 111.5 51.5 -58.1 -48.1 34.9 47.1 19.4 76 77 A R H X S+ 0 0 94 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.930 112.8 42.8 -56.6 -49.5 37.3 45.9 22.1 77 78 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.893 110.1 56.3 -68.0 -37.3 38.3 42.8 20.4 78 79 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.918 107.1 50.7 -60.7 -41.2 38.7 44.5 17.0 79 80 A N H X S+ 0 0 62 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.957 110.3 48.4 -60.5 -49.8 41.1 46.9 18.5 80 81 A I H X S+ 0 0 50 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.909 114.4 47.6 -54.9 -44.9 43.2 44.1 20.0 81 82 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.5 0.881 109.8 50.7 -66.0 -42.4 43.1 42.3 16.6 82 83 A R H ><5S+ 0 0 116 -4,-2.9 3,-1.9 2,-0.2 -2,-0.2 0.966 111.3 49.4 -59.2 -51.9 44.1 45.4 14.6 83 84 A K H 3<5S+ 0 0 170 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.911 111.3 49.2 -53.6 -44.7 47.0 46.0 17.0 84 85 A A T 3<5S- 0 0 33 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.536 108.0-127.9 -74.8 -4.7 48.0 42.4 16.6 85 86 A E T < 5 - 0 0 138 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.2 0.871 41.8-178.7 61.7 34.2 47.8 42.7 12.8 86 87 A A < - 0 0 13 -5,-2.4 -53,-0.2 1,-0.1 -1,-0.2 -0.488 23.2-178.4 -72.1 133.1 45.5 39.6 12.8 87 88 A A S S+ 0 0 52 -55,-2.5 24,-2.0 -2,-0.2 2,-0.4 0.548 70.8 51.4-103.0 -13.6 44.4 38.5 9.3 88 89 A I E -de 33 111B 0 -56,-1.2 -54,-1.8 22,-0.2 2,-0.5 -0.989 65.8-157.1-130.6 134.6 42.3 35.6 10.6 89 90 A V E -de 34 112B 0 22,-2.9 24,-3.1 -2,-0.4 2,-0.5 -0.949 7.3-167.6-113.5 128.9 39.6 35.6 13.3 90 91 A I E -de 35 113B 0 -56,-2.5 -54,-2.8 -2,-0.5 2,-0.5 -0.972 2.6-164.7-119.1 115.0 38.8 32.3 15.0 91 92 A G E -de 36 114B 0 22,-2.6 24,-2.8 -2,-0.5 2,-0.5 -0.877 8.2-173.5-101.5 129.7 35.7 32.3 17.1 92 93 A V E + e 0 115B 0 -56,-2.6 -54,-0.4 -2,-0.5 2,-0.3 -0.970 42.3 31.2-128.4 115.5 35.4 29.3 19.5 93 94 A G E S- e 0 116B 0 22,-1.9 24,-1.4 -2,-0.5 25,-0.5 -0.997 88.1 -22.1 149.3-151.6 32.4 28.6 21.5 94 95 A G S >> S- 0 0 24 -2,-0.3 4,-2.2 22,-0.2 3,-0.6 -0.113 81.1 -69.7 -87.8-174.8 28.6 28.9 21.5 95 96 A G H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.840 128.1 51.7 -48.3 -45.8 26.3 31.2 19.6 96 97 A K H 3> S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 111.2 47.5 -64.4 -37.3 27.3 34.4 21.4 97 98 A T H <> S+ 0 0 4 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.925 114.5 47.2 -66.9 -43.2 31.0 33.9 20.9 98 99 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 110.5 50.5 -66.3 -41.7 30.5 33.0 17.2 99 100 A D H X S+ 0 0 13 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.895 111.7 49.9 -63.8 -38.1 28.2 36.0 16.5 100 101 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.921 108.1 52.7 -64.7 -43.8 30.8 38.3 18.1 101 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.862 105.5 54.2 -60.3 -39.7 33.6 36.8 16.0 102 103 A K H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.892 109.3 48.4 -61.3 -38.7 31.7 37.4 12.8 103 104 A A H X S+ 0 0 2 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.909 111.3 49.4 -67.4 -44.8 31.3 41.1 13.8 104 105 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.919 110.9 50.3 -60.8 -45.1 35.0 41.4 14.6 105 106 A A H X>S+ 0 0 4 -4,-2.6 5,-2.3 1,-0.2 4,-1.2 0.869 108.3 53.3 -62.1 -34.5 36.0 39.8 11.3 106 107 A D H <5S+ 0 0 49 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.894 105.1 53.8 -67.0 -40.2 33.7 42.2 9.4 107 108 A E H <5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.813 119.7 34.5 -62.1 -32.1 35.4 45.2 11.1 108 109 A L H <5S- 0 0 43 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.503 101.4-126.0-101.7 -7.8 38.7 44.0 9.9 109 110 A D T <5 + 0 0 146 -4,-1.2 -3,-0.2 -3,-0.2 2,-0.2 0.914 59.8 157.4 57.8 43.3 37.7 42.4 6.6 110 111 A A < - 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0 0 12 -5,-1.5 2,-0.2 152,-0.3 -1,-0.1 -0.115 43.5-101.1 -80.6-177.3 7.2 34.6 1.1 189 190 A K - 0 0 101 6,-0.1 62,-0.3 62,-0.1 6,-0.2 -0.629 23.2-136.9-105.4 162.7 10.9 35.6 1.2 190 191 A T > - 0 0 11 4,-2.5 3,-1.2 -2,-0.2 58,-0.1 -0.515 34.1-100.6-107.4 177.7 13.9 34.3 3.0 191 192 A M T 3 S+ 0 0 66 56,-0.8 57,-0.2 55,-0.5 56,-0.1 0.747 119.6 68.0 -71.0 -21.2 16.7 36.0 4.8 192 193 A A T 3 S- 0 0 19 55,-1.3 -1,-0.3 -187,-0.2 56,-0.1 0.685 120.3-106.7 -70.3 -19.0 18.8 35.4 1.7 193 194 A G S < S+ 0 0 52 -3,-1.2 2,-0.2 1,-0.4 -190,-0.1 0.311 83.9 49.7 116.1 -10.7 16.6 37.8 -0.2 194 195 A G S S- 0 0 1 -189,-0.2 -4,-2.5 1,-0.1 -1,-0.4 -0.539 95.2 -55.8-138.5-157.4 14.3 35.9 -2.5 195 196 A I B S-a 4 0A 39 -192,-2.5 -190,-1.2 -6,-0.2 -6,-0.1 -0.510 71.9 -85.3 -84.7 161.3 11.9 33.0 -2.6 196 197 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.257 39.7-131.1 -64.5 154.6 13.4 29.7 -1.4 197 198 A T > - 0 0 20 51,-0.5 4,-1.5 -192,-0.3 5,-0.1 -0.502 25.6-110.0 -91.3 167.9 15.3 27.5 -3.9 198 199 A I H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 119.9 62.5 -66.4 -34.5 14.5 23.7 -4.3 199 200 A A H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 104.0 45.6 -56.0 -46.2 18.0 23.2 -2.7 200 201 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.888 111.9 51.6 -66.8 -37.6 16.8 24.9 0.5 201 202 A E H X S+ 0 0 70 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.929 110.9 47.8 -63.5 -44.1 13.5 23.0 0.5 202 203 A A H X S+ 0 0 56 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.918 114.5 47.2 -62.5 -43.0 15.4 19.7 0.1 203 204 A I H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.920 113.2 47.2 -64.6 -45.3 17.8 20.6 2.9 204 205 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -27,-0.3 0.900 113.1 47.3 -66.4 -42.9 15.1 21.8 5.3 205 206 A E H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.898 111.5 50.8 -66.1 -38.2 12.9 18.7 4.8 206 207 A K H X S+ 0 0 119 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.824 103.0 63.0 -67.7 -29.3 15.9 16.4 5.2 207 208 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.967 105.6 43.5 -58.3 -50.6 16.7 18.3 8.5 208 209 A E H X S+ 0 0 16 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.942 113.1 51.4 -63.5 -45.1 13.5 17.2 10.1 209 210 A Q H X S+ 0 0 99 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.912 109.8 51.0 -57.7 -41.8 13.7 13.6 8.8 210 211 A T H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.898 110.1 48.7 -62.9 -42.8 17.2 13.4 10.2 211 212 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.904 111.2 48.1 -67.5 -40.3 16.2 14.7 13.6 212 213 A F H < S+ 0 0 62 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.886 117.2 44.4 -69.2 -32.1 13.2 12.3 14.0 213 214 A K H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.903 132.7 12.1 -78.4 -37.4 15.3 9.4 13.0 214 215 A Y H X S+ 0 0 73 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.454 94.4 99.5-121.1 -5.5 18.5 10.0 15.0 215 216 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 5,-0.1 0.892 87.8 43.7 -55.1 -47.3 17.7 12.7 17.5 216 217 A K H > S+ 0 0 73 -5,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.921 114.3 50.3 -67.4 -40.4 17.1 10.4 20.5 217 218 A L H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 110.9 50.3 -62.9 -37.7 20.1 8.2 19.7 218 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 12,-0.2 -1,-0.2 0.904 109.0 51.2 -66.6 -38.5 22.3 11.3 19.4 219 220 A Y H X S+ 0 0 16 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.932 111.2 47.5 -65.1 -42.5 21.0 12.6 22.8 220 221 A E H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.857 108.3 57.3 -66.5 -33.0 21.9 9.2 24.4 221 222 A S H <>S+ 0 0 13 -4,-2.0 5,-2.2 -5,-0.2 4,-0.3 0.937 107.5 46.1 -62.8 -44.2 25.3 9.4 22.7 222 223 A V H ><5S+ 0 0 1 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.874 106.0 59.3 -66.3 -36.1 26.1 12.7 24.3 223 224 A K H 3<5S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.7 38.9 -59.6 -37.4 24.9 11.4 27.7 224 225 A A T 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.395 112.6-125.2 -91.9 2.1 27.6 8.7 27.4 225 226 A K T < 5 + 0 0 109 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.870 64.8 127.9 54.8 47.5 30.1 11.2 25.9 226 227 A V < - 0 0 69 -5,-2.2 2,-0.5 -67,-0.1 -1,-0.2 -0.923 58.9-122.0-130.8 156.6 30.8 9.1 22.8 227 228 A V + 0 0 36 -2,-0.3 -71,-0.1 -3,-0.1 -9,-0.0 -0.851 38.1 165.4-100.6 127.7 30.7 9.8 19.1 228 229 A T > - 0 0 36 -2,-0.5 4,-2.4 -10,-0.1 5,-0.2 -0.867 53.2-101.6-133.9 167.2 28.4 7.7 17.0 229 230 A P H > S+ 0 0 117 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.832 123.3 57.0 -59.2 -35.3 27.0 7.9 13.5 230 231 A A H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -12,-0.2 0.916 107.8 46.2 -61.6 -44.2 23.7 9.1 15.0 231 232 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.914 110.2 53.3 -65.0 -44.3 25.5 12.0 16.7 232 233 A E H X S+ 0 0 51 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 110.7 48.1 -56.4 -41.9 27.4 12.8 13.5 233 234 A A H X S+ 0 0 24 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.922 113.8 45.3 -65.1 -43.7 24.1 13.0 11.6 234 235 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.860 109.3 54.7 -72.4 -34.4 22.4 15.2 14.2 235 236 A V H X S+ 0 0 0 -4,-2.9 4,-1.3 2,-0.2 5,-0.4 0.924 110.8 46.9 -64.9 -39.3 25.4 17.6 14.5 236 237 A E H >X>S+ 0 0 77 -4,-1.9 5,-2.3 -5,-0.3 4,-1.0 0.946 113.6 48.8 -65.5 -43.7 25.2 18.1 10.8 237 238 A A H 3<>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 -2,-0.2 0.922 112.4 47.9 -61.1 -40.9 21.4 18.6 11.0 238 239 A N H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.716 127.9 22.9 -71.4 -20.2 21.8 21.1 13.8 239 240 A T H - 0 0 0 -2,-0.3 4,-1.1 88,-0.1 86,-0.2 -0.265 58.9 -26.7-146.0-123.1 8.1 32.4 10.1 253 254 A A H > S+ 0 0 0 85,-0.2 4,-2.5 1,-0.2 5,-0.2 0.868 118.0 65.0 -79.4 -32.6 6.2 32.3 13.4 254 255 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.917 109.7 38.1 -58.7 -47.9 8.4 30.1 15.6 255 256 A H H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.831 112.4 58.4 -75.1 -26.5 11.3 32.5 15.6 256 257 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.905 107.2 48.1 -65.5 -38.6 9.0 35.5 15.8 257 258 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.925 108.1 54.8 -65.8 -43.2 7.5 34.1 19.1 258 259 A H H >< S+ 0 0 13 -4,-1.8 3,-0.8 1,-0.2 4,-0.3 0.929 110.8 46.0 -54.9 -44.3 11.1 33.5 20.4 259 260 A N H >< S+ 0 0 29 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.851 102.9 64.7 -68.5 -32.3 11.8 37.2 19.7 260 261 A G H >< S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.759 86.6 71.7 -62.2 -26.2 8.5 38.2 21.4 261 262 A F G X< S+ 0 0 1 -4,-1.1 3,-2.0 -3,-0.8 -1,-0.3 0.747 80.4 74.0 -64.3 -18.9 9.7 36.9 24.7 262 263 A T G < S+ 0 0 68 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.635 80.0 73.1 -70.7 -6.7 12.1 39.8 24.9 263 264 A A G < S+ 0 0 44 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.619 94.5 67.7 -78.2 -10.5 9.1 41.9 25.7 264 265 A L S < S- 0 0 13 -3,-2.0 2,-0.3 -4,-0.2 5,-0.0 -0.826 71.6-147.4-112.6 150.6 9.2 40.3 29.1 265 266 A E + 0 0 197 -2,-0.3 2,-0.3 3,-0.0 3,-0.1 -0.843 51.8 69.5-108.3 149.4 11.6 40.4 31.9 266 267 A G S > S- 0 0 42 -2,-0.3 3,-1.6 1,-0.1 50,-0.1 -0.888 93.0 -38.3 143.8-173.7 12.2 37.4 34.1 267 268 A E G > S+ 0 0 116 -2,-0.3 3,-1.8 1,-0.3 4,-0.2 0.611 109.5 82.2 -67.0 -15.1 13.5 33.9 34.6 268 269 A I G > S+ 0 0 2 47,-0.3 3,-1.9 1,-0.3 -1,-0.3 0.844 81.4 67.4 -59.7 -27.2 12.4 33.0 31.1 269 270 A H G < S+ 0 0 69 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.452 84.7 67.8 -77.2 2.2 15.6 34.6 29.9 270 271 A H G < S+ 0 0 124 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.445 82.9 96.9 -90.3 -7.4 17.8 32.0 31.5 271 272 A L S < S- 0 0 24 -3,-1.9 2,-0.1 -4,-0.2 43,-0.0 -0.490 83.8-106.1 -77.5 159.5 16.4 29.5 29.0 272 273 A T > - 0 0 31 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.309 25.7-107.2 -80.7 168.9 18.5 28.8 25.9 273 274 A H H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.936 122.1 48.4 -57.7 -46.8 17.7 30.1 22.4 274 275 A G H > S+ 0 0 0 -154,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.877 106.7 54.9 -64.8 -37.2 16.7 26.5 21.4 275 276 A E H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.883 110.5 46.1 -63.7 -39.3 14.5 25.9 24.5 276 277 A K H X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.861 110.7 53.6 -68.5 -37.7 12.5 29.1 23.6 277 278 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.809 100.2 61.8 -67.6 -32.1 12.3 28.0 20.0 278 279 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.943 108.9 41.4 -59.5 -47.9 10.8 24.6 20.9 279 280 A F H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.3 55.3 -65.7 -40.4 7.8 26.4 22.5 280 281 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.836 104.6 54.7 -59.4 -34.0 7.7 28.8 19.6 281 282 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.886 105.6 51.0 -67.4 -41.6 7.5 25.9 17.2 282 283 A L H X S+ 0 0 4 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.887 108.7 53.2 -62.1 -37.8 4.4 24.4 19.0 283 284 A V H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.927 107.4 50.1 -63.6 -44.9 2.8 27.8 18.8 284 285 A Q H >X S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.7 0.921 109.6 51.3 -58.9 -39.1 3.3 27.8 15.0 285 286 A L H >< S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.868 106.6 54.4 -66.4 -31.7 1.8 24.4 14.8 286 287 A A H 3< S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.713 106.1 52.8 -72.4 -18.4 -1.2 25.6 16.8 287 288 A L H << S+ 0 0 39 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.567 105.8 68.4 -89.8 -11.4 -1.6 28.4 14.2 288 289 A E S << S- 0 0 40 -3,-0.7 2,-1.0 -4,-0.7 -3,-0.0 -0.424 96.7 -99.3 -99.3 176.2 -1.6 25.8 11.3 289 290 A E + 0 0 190 -2,-0.1 2,-0.3 0, 0.0 -3,-0.1 -0.845 63.2 143.0-102.0 96.9 -4.2 23.2 10.4 290 291 A H - 0 0 43 -2,-1.0 2,-0.1 -5,-0.2 -2,-0.0 -0.954 48.2-116.3-130.4 155.1 -2.8 20.0 11.9 291 292 A S > - 0 0 42 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.360 36.3-102.9 -80.2 168.2 -4.5 17.0 13.5 292 293 A Q H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 121.4 55.0 -59.1 -41.7 -3.9 16.2 17.1 293 294 A Q H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 105.1 52.5 -60.4 -41.5 -1.7 13.3 16.1 294 295 A E H >> S+ 0 0 87 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.973 112.5 44.3 -59.7 -51.9 0.5 15.5 14.0 295 296 A I H >X S+ 0 0 15 -4,-1.9 4,-1.9 1,-0.2 3,-1.0 0.922 110.1 55.4 -62.4 -42.4 1.1 17.9 16.9 296 297 A E H 3X S+ 0 0 48 -4,-2.8 4,-2.9 1,-0.3 -1,-0.2 0.799 94.5 68.5 -61.8 -26.1 1.7 15.2 19.4 297 298 A R H S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 3,-0.3 0.914 109.8 50.0 -58.9 -43.7 10.4 17.4 22.9 303 304 A L H ><5S+ 0 0 54 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.900 106.7 53.9 -63.8 -40.2 9.5 15.5 26.1 304 305 A C H 3<5S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.814 111.4 47.0 -61.5 -29.8 12.0 12.8 25.4 305 306 A L T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.263 116.0-115.3 -96.8 9.4 14.7 15.4 25.0 306 307 A D T < 5 + 0 0 110 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.808 64.1 151.6 61.7 35.6 13.6 17.2 28.2 307 308 A L < - 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.1 -0.675 51.1 -96.6 -96.3 152.2 12.6 20.3 26.2 308 309 A P + 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.402 42.9 163.8 -70.5 138.4 9.9 22.7 27.4 309 310 A V + 0 0 0 -2,-0.1 2,-0.3 -27,-0.0 51,-0.2 0.410 57.7 55.9-131.1 -4.0 6.4 22.3 26.0 310 311 A T S > S- 0 0 4 50,-0.1 4,-1.2 1,-0.1 6,-0.1 -0.822 84.0-111.5-127.8 167.4 4.2 24.4 28.4 311 312 A L T 4>S+ 0 0 5 -2,-0.3 5,-2.9 1,-0.2 3,-0.4 0.889 120.6 55.9 -64.1 -37.7 4.1 27.9 29.8 312 313 A E T >45S+ 0 0 101 4,-0.3 3,-1.6 1,-0.2 5,-0.4 0.919 103.6 54.1 -59.5 -39.5 5.1 26.5 33.1 313 314 A D T 345S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.774 107.6 50.2 -65.3 -27.5 8.2 24.9 31.6 314 315 A I T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.150 123.7-103.7 -98.1 21.5 9.2 28.3 30.1 315 316 A K T < 5S+ 0 0 111 -3,-1.6 -47,-0.3 -5,-0.1 -3,-0.2 0.786 96.2 107.5 68.1 28.9 8.8 30.0 33.5 316 317 A L > < + 0 0 24 -5,-2.9 3,-1.8 -6,-0.1 -4,-0.3 -0.130 44.1 168.5-123.1 34.8 5.5 31.7 32.7 317 318 A K T 3 S- 0 0 129 -5,-0.4 -5,-0.0 -6,-0.3 -7,-0.0 -0.235 75.4 -3.2 -52.5 130.2 3.3 29.6 34.9 318 319 A D T 3 S+ 0 0 146 1,-0.1 -1,-0.3 2,-0.0 -6,-0.0 0.860 91.3 179.5 53.4 38.1 -0.1 31.2 35.1 319 320 A A < - 0 0 18 -3,-1.8 2,-0.1 1,-0.1 -1,-0.1 -0.341 28.9-109.1 -64.9 154.1 1.1 34.2 33.1 320 321 A S > - 0 0 52 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.473 16.8-115.3 -86.5 159.7 -1.7 36.7 32.5 321 322 A R H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.883 118.5 56.4 -57.1 -36.8 -3.4 37.4 29.2 322 323 A E H > S+ 0 0 113 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.886 106.9 47.0 -66.7 -35.0 -1.8 40.9 29.4 323 324 A D H > S+ 0 0 55 -3,-0.3 4,-1.4 2,-0.2 3,-0.3 0.912 112.6 49.5 -71.7 -40.4 1.7 39.5 29.7 324 325 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.872 105.9 57.2 -66.9 -34.7 1.1 37.1 26.8 325 326 A L H X S+ 0 0 26 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.830 101.1 56.7 -66.3 -29.0 -0.3 39.9 24.7 326 327 A K H X S+ 0 0 91 -4,-1.1 4,-2.1 -3,-0.3 -1,-0.2 0.922 109.3 46.7 -65.0 -41.1 3.0 41.8 25.1 327 328 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 -2,-0.2 0.948 113.7 48.5 -63.0 -48.4 4.8 38.8 23.7 328 329 A A H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.848 110.3 49.7 -62.8 -36.8 2.3 38.6 20.9 329 330 A K H < S+ 0 0 109 -4,-2.5 3,-0.2 2,-0.2 -1,-0.2 0.890 113.5 46.9 -68.5 -36.9 2.5 42.3 20.0 330 331 A A H >< S+ 0 0 32 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.903 111.1 51.9 -71.5 -38.3 6.3 42.0 19.9 331 332 A A H 3< S+ 0 0 0 -4,-2.9 7,-0.4 1,-0.2 -1,-0.2 0.706 113.3 45.1 -69.7 -20.7 6.1 38.8 17.8 332 333 A T T 3< S+ 0 0 21 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.268 82.3 134.8-108.5 13.3 3.8 40.6 15.3 333 334 A A S X S- 0 0 36 -3,-1.1 3,-2.1 -4,-0.2 6,-0.2 -0.109 71.9 -83.3 -54.1 156.7 5.7 43.9 15.0 334 335 A E T 3 S+ 0 0 177 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.386 120.0 27.2 -62.3 138.3 6.2 45.2 11.5 335 336 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.244 88.8 131.8 94.0 -17.7 9.3 43.5 10.1 336 337 A E X - 0 0 30 -3,-2.1 3,-1.0 1,-0.1 -1,-0.3 -0.330 66.2-117.8 -69.9 160.1 9.0 40.3 12.1 337 338 A T G > S+ 0 0 14 1,-0.2 3,-1.9 -85,-0.2 4,-0.3 0.661 101.1 79.9 -74.7 -15.8 9.2 37.0 10.3 338 339 A I G >> S+ 0 0 0 -7,-0.4 4,-1.8 1,-0.3 3,-1.7 0.857 85.7 63.2 -60.3 -32.2 5.7 35.8 11.1 339 340 A H G <4 S+ 0 0 79 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.629 86.6 72.3 -68.4 -13.9 4.4 38.0 8.3 340 341 A N G <4 S+ 0 0 50 -3,-1.9 -152,-0.3 -4,-0.1 -1,-0.3 0.669 119.5 12.6 -71.8 -18.1 6.3 36.0 5.7 341 342 A A T <4 S+ 0 0 21 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.538 122.2 48.4-134.7 -11.4 3.8 33.2 6.2 342 343 A F < - 0 0 35 -4,-1.8 2,-0.5 2,-0.1 -1,-0.2 -0.929 51.9-149.7-135.6 156.7 0.8 34.3 8.2 343 344 A N + 0 0 162 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.855 52.8 138.0-123.2 86.7 -1.8 37.0 8.2 344 345 A V - 0 0 24 -2,-0.5 2,-0.2 -12,-0.0 -2,-0.1 -0.926 45.7-130.4-133.7 160.2 -2.5 37.1 11.9 345 346 A T > - 0 0 80 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.554 35.0-103.2-101.9 170.5 -3.1 39.7 14.6 346 347 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 124.0 54.7 -60.3 -37.8 -1.4 39.9 18.0 347 348 A D H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 105.3 51.7 -63.6 -39.1 -4.7 38.6 19.5 348 349 A D H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 112.6 47.2 -61.1 -41.9 -4.6 35.6 17.2 349 350 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.895 108.2 52.9 -70.4 -37.8 -1.0 34.9 18.4 350 351 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.924 110.1 50.1 -63.6 -40.1 -1.8 35.3 22.0 351 352 A D H X S+ 0 0 80 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 108.4 52.5 -63.2 -38.8 -4.6 32.8 21.6 352 353 A A H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.836 105.5 54.8 -67.9 -32.4 -2.2 30.4 19.9 353 354 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.937 112.0 43.1 -66.4 -44.7 0.3 30.6 22.8 354 355 A F H X S+ 0 0 61 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.864 113.0 53.7 -66.6 -35.2 -2.4 29.6 25.2 355 356 A A H X S+ 0 0 25 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.944 106.7 51.0 -63.4 -45.7 -3.7 26.9 22.8 356 357 A A H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.920 110.4 49.4 -58.0 -42.1 -0.2 25.4 22.5 357 358 A D H X S+ 0 0 13 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.929 112.6 48.5 -62.9 -42.8 0.1 25.2 26.3 358 359 A Q H X S+ 0 0 110 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.905 110.1 50.4 -65.7 -40.1 -3.3 23.6 26.5 359 360 A Y H X S+ 0 0 106 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.899 112.0 47.8 -64.8 -40.2 -2.5 21.0 23.8 360 361 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.918 111.9 49.4 -66.5 -44.0 0.7 20.1 25.6 361 362 A K H X S+ 0 0 94 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.914 109.9 52.4 -60.6 -41.4 -1.1 19.8 29.0 362 363 A A H < S+ 0 0 29 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.869 110.1 48.5 -63.7 -35.2 -3.7 17.6 27.3 363 364 A Y H < S+ 0 0 56 -4,-1.7 3,-0.4 2,-0.2 -1,-0.2 0.931 110.9 49.9 -68.8 -44.9 -1.0 15.4 26.0 364 365 A K H < S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.833 107.5 51.0 -62.6 -38.4 0.7 15.1 29.3 365 366 A E < 0 0 158 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.688 360.0 360.0 -70.6 -14.0 -2.5 14.2 31.2 366 367 A K 0 0 206 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.310 360.0 360.0 69.3 360.0 -2.5 11.7 28.3