==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-AUG-04 1W57 . COMPND 2 MOLECULE: ISPD/ISPF BIFUNCTIONAL ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.GABRIELSEN,C.S.BOND,W.N.HUNTER . 368 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 66.3 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 . 49 13.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 5 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 3 A E 0 0 159 0, 0.0 88,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.7 93.3 17.4 -30.8 2 4 A M E -a 89 0A 4 42,-0.3 44,-1.4 86,-0.2 88,-0.2 -0.999 360.0-155.3-149.2 134.1 91.7 20.8 -29.9 3 5 A S E -a 90 0A 1 86,-1.8 88,-2.9 -2,-0.3 2,-0.4 -0.683 17.2-127.6-107.9 164.2 90.2 22.4 -26.7 4 6 A L E -ab 91 48A 0 43,-2.7 45,-3.1 -2,-0.2 2,-0.5 -0.954 13.6-167.6-121.1 130.6 87.7 25.3 -26.4 5 7 A I E -ab 92 49A 0 86,-3.0 88,-2.1 -2,-0.4 2,-0.6 -0.963 3.8-166.0-110.6 123.0 87.8 28.5 -24.4 6 8 A M E -ab 93 50A 1 43,-2.9 45,-2.6 -2,-0.5 2,-0.9 -0.932 13.6-148.9 -99.7 113.5 84.6 30.5 -24.0 7 9 A L E +ab 94 51A 16 86,-2.6 88,-1.8 -2,-0.6 89,-0.4 -0.752 38.7 146.3 -86.5 109.6 85.4 34.0 -22.7 8 10 A A + 0 0 3 43,-1.1 45,-0.5 -2,-0.9 -1,-0.1 0.109 36.7 104.8-128.9 15.6 82.4 35.1 -20.6 9 11 A A + 0 0 23 43,-0.2 43,-0.1 44,-0.1 42,-0.1 -0.226 51.5 45.8 -94.6-174.7 84.1 37.2 -17.9 10 12 A G - 0 0 29 61,-0.1 2,-0.2 1,-0.1 43,-0.2 -0.258 61.6-142.1 74.0-166.5 84.2 40.9 -17.3 11 13 A N + 0 0 115 9,-0.0 2,-0.3 10,-0.0 -1,-0.1 -0.697 19.3 171.5 167.6 136.9 81.3 43.3 -17.5 12 14 A S > - 0 0 75 -2,-0.2 4,-0.9 0, 0.0 3,-0.3 -0.980 42.1-111.7-156.7 155.7 80.7 46.8 -18.7 13 15 A T T 4 S+ 0 0 114 -2,-0.3 7,-0.0 1,-0.2 5,-0.0 -0.051 84.5 104.5 -83.0 32.0 77.7 49.2 -19.4 14 16 A R T 4 S+ 0 0 176 -2,-0.2 179,-0.4 178,-0.1 -1,-0.2 0.976 106.9 3.9 -67.8 -74.6 78.1 49.2 -23.2 15 17 A F T 4 S+ 0 0 0 -3,-0.3 178,-0.3 177,-0.2 -2,-0.2 0.937 119.7 110.8 -62.0 -42.8 75.2 46.9 -23.8 16 18 A N < + 0 0 24 -4,-0.9 177,-0.1 175,-0.1 4,-0.1 0.454 30.8 157.0 -66.5 171.5 74.4 46.9 -20.3 17 19 A T S S- 0 0 61 2,-0.3 -1,-0.1 276,-0.0 3,-0.1 0.120 84.4 -43.3-145.2-106.9 71.6 48.4 -18.3 18 20 A K S S+ 0 0 93 274,-0.1 2,-0.4 1,-0.1 -2,-0.1 0.270 125.4 77.5-113.9 0.7 70.9 46.8 -14.9 19 21 A V S S- 0 0 9 275,-0.1 -2,-0.3 276,-0.1 274,-0.2 -0.952 77.7-130.4-123.7 121.2 71.3 43.3 -16.5 20 22 A K > - 0 0 31 273,-1.4 3,-0.8 -2,-0.4 4,-0.1 -0.437 19.2-137.1 -67.4 138.3 74.5 41.5 -17.5 21 23 A K G > S+ 0 0 29 1,-0.3 3,-0.8 2,-0.2 10,-0.2 0.669 100.4 61.8 -79.1 -20.1 74.3 40.1 -21.0 22 24 A Q G 3 S+ 0 0 17 1,-0.2 10,-2.4 9,-0.1 11,-0.3 0.714 104.3 55.0 -73.9 -17.9 75.8 36.7 -20.4 23 25 A F G < S+ 0 0 0 -3,-0.8 -1,-0.2 270,-0.2 -2,-0.2 0.398 77.5 118.5 -96.3 2.1 72.8 36.3 -18.1 24 26 A L < - 0 0 1 -3,-0.8 7,-2.6 -5,-0.1 2,-0.6 -0.375 69.2-116.4 -60.2 144.3 70.1 37.1 -20.7 25 27 A R E +H 30 0B 5 339,-0.4 2,-0.5 5,-0.2 341,-0.2 -0.796 34.7 174.3 -95.3 123.6 67.8 34.1 -21.2 26 28 A L E > S-H 29 0B 0 3,-2.5 3,-0.6 -2,-0.6 2,-0.3 -0.905 76.3 -35.0-121.4 98.0 67.7 32.5 -24.6 27 29 A G B 3 S-i 204 0C 27 176,-0.8 178,-1.7 -2,-0.5 4,-0.1 -0.640 119.4 -38.7 80.0-147.4 65.4 29.4 -24.1 28 30 A N T 3 S+ 0 0 86 -2,-0.3 -1,-0.2 176,-0.2 6,-0.0 0.799 125.3 84.5 -77.0 -26.1 65.9 28.0 -20.6 29 31 A D E < S-H 26 0B 39 -3,-0.6 -3,-2.5 1,-0.1 2,-0.1 -0.500 81.7-118.6 -82.7 137.3 69.7 28.7 -20.8 30 32 A P E >> -H 25 0B 2 0, 0.0 4,-3.0 0, 0.0 3,-1.0 -0.431 39.2-102.9 -64.1 150.1 71.5 31.9 -19.9 31 33 A L H 3> S+ 0 0 0 -7,-2.6 4,-3.0 1,-0.3 5,-0.3 0.829 118.8 55.7 -44.0 -49.3 73.4 33.4 -22.9 32 34 A W H 3> S+ 0 0 0 -10,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.890 115.7 37.6 -58.3 -40.8 76.8 32.3 -21.7 33 35 A L H <> S+ 0 0 4 -3,-1.0 4,-3.4 -11,-0.3 5,-0.2 0.871 112.7 56.8 -80.0 -40.2 75.7 28.6 -21.4 34 36 A Y H X S+ 0 0 61 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.946 112.2 43.9 -49.7 -49.6 73.6 28.8 -24.6 35 37 A A H X S+ 0 0 2 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.911 115.3 46.6 -65.5 -46.3 76.7 30.0 -26.5 36 38 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.889 111.8 52.2 -62.5 -43.5 79.0 27.4 -24.9 37 39 A K H X S+ 0 0 101 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.916 109.4 50.5 -57.5 -43.4 76.4 24.7 -25.5 38 40 A N H >< S+ 0 0 38 -4,-2.1 3,-0.6 -5,-0.2 4,-0.5 0.939 114.7 40.8 -64.7 -49.7 76.2 25.7 -29.2 39 41 A L H >< S+ 0 0 3 -4,-2.4 3,-1.4 1,-0.2 4,-0.2 0.884 112.1 57.1 -64.3 -37.5 80.0 25.6 -29.8 40 42 A S H >< S+ 0 0 33 -4,-2.2 3,-0.6 1,-0.3 5,-0.2 0.690 97.7 61.8 -72.0 -19.3 80.4 22.5 -27.8 41 43 A S T << S+ 0 0 86 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.736 95.2 65.6 -72.4 -21.6 77.9 20.6 -29.9 42 44 A F T < S+ 0 0 22 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.551 112.3 1.9 -82.6 -12.9 80.2 21.1 -33.0 43 45 A Y S < S- 0 0 62 -3,-0.6 2,-1.3 -4,-0.2 -1,-0.2 -0.942 74.0-103.4-174.0 140.6 83.3 19.1 -32.0 44 46 A P - 0 0 115 0, 0.0 -42,-0.3 0, 0.0 2,-0.3 -0.704 43.7-161.5 -78.0 93.6 84.5 16.8 -29.2 45 47 A F - 0 0 22 -2,-1.3 -42,-0.2 -5,-0.2 3,-0.2 -0.603 19.5-137.2 -75.4 139.1 86.8 19.2 -27.4 46 48 A K S S+ 0 0 123 -44,-1.4 2,-0.3 -2,-0.3 -43,-0.2 0.857 90.8 8.7 -59.7 -40.3 89.3 17.5 -25.1 47 49 A K - 0 0 56 -45,-0.2 -43,-2.7 2,-0.0 2,-0.5 -0.994 66.1-155.3-143.0 137.1 88.7 20.3 -22.5 48 50 A I E -b 4 0A 25 -2,-0.3 18,-2.4 16,-0.3 2,-0.4 -0.968 16.2-175.3-115.0 120.5 86.1 23.1 -22.3 49 51 A V E -bc 5 66A 0 -45,-3.1 -43,-2.9 -2,-0.5 2,-0.4 -0.930 7.3-166.9-115.5 137.1 87.0 26.1 -20.3 50 52 A V E -bc 6 67A 0 16,-2.5 18,-1.6 -2,-0.4 2,-0.3 -0.984 15.4-139.8-122.2 123.8 84.7 29.1 -19.5 51 53 A T E -bc 7 68A 1 -45,-2.6 -43,-1.1 -2,-0.4 2,-0.3 -0.669 30.5-173.8 -85.1 142.5 86.1 32.4 -18.1 52 54 A S E - c 0 69A 0 16,-1.7 18,-2.6 -2,-0.3 -43,-0.2 -0.960 46.4-167.8-144.3 145.1 83.8 33.9 -15.4 53 55 A S S S+ 0 0 47 -45,-0.5 -44,-0.1 -2,-0.3 -1,-0.1 0.221 106.3 42.4-103.5 9.1 83.2 36.9 -13.2 54 56 A N > + 0 0 42 1,-0.1 4,-3.1 2,-0.1 5,-0.3 -0.257 66.1 154.2-151.1 43.8 80.6 34.7 -11.4 55 57 A I H > S+ 0 0 31 1,-0.2 4,-3.4 -3,-0.2 5,-0.2 0.906 75.0 50.6 -48.1 -54.2 82.1 31.2 -11.0 56 58 A T H > S+ 0 0 115 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.913 118.3 37.9 -58.6 -47.9 80.1 30.1 -8.0 57 59 A Y H >4 S+ 0 0 24 1,-0.2 3,-2.5 2,-0.2 4,-0.2 0.987 115.7 52.8 -61.1 -61.5 76.8 31.1 -9.7 58 60 A M H >< S+ 0 0 2 -4,-3.1 3,-1.6 1,-0.3 4,-0.3 0.839 102.7 61.0 -40.6 -44.0 77.8 29.9 -13.1 59 61 A K H >< S+ 0 0 124 -4,-3.4 3,-0.9 -5,-0.3 -1,-0.3 0.713 89.2 69.1 -59.9 -26.1 78.7 26.5 -11.6 60 62 A K T << S+ 0 0 150 -3,-2.5 -1,-0.3 -4,-0.6 -2,-0.2 0.420 96.1 57.7 -74.7 1.3 75.1 25.9 -10.5 61 63 A F T < S+ 0 0 67 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.560 115.2 1.7-110.2 -16.6 74.1 25.6 -14.1 62 64 A T < - 0 0 22 -3,-0.9 -1,-0.3 -4,-0.3 -29,-0.0 -0.988 36.7-152.7-162.8 165.9 76.3 22.7 -15.3 63 65 A K S S+ 0 0 201 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.0 0.323 81.5 86.2-118.5 0.6 79.0 20.1 -14.4 64 66 A N S S+ 0 0 119 2,-0.0 2,-0.3 0, 0.0 -16,-0.3 0.694 79.6 57.3 -77.3 -26.0 80.4 20.0 -18.0 65 67 A Y S S- 0 0 22 -18,-0.1 2,-0.5 -6,-0.1 -16,-0.2 -0.821 71.7-125.4-119.4 150.9 83.0 22.8 -18.0 66 68 A E E -c 49 0A 82 -18,-2.4 -16,-2.5 -2,-0.3 2,-0.5 -0.782 31.2-151.2 -84.1 130.7 86.0 23.9 -16.1 67 69 A F E -c 50 0A 23 -2,-0.5 2,-0.4 -18,-0.2 -16,-0.2 -0.903 12.7-172.9-108.0 131.7 85.6 27.5 -14.9 68 70 A I E -c 51 0A 32 -18,-1.6 -16,-1.7 -2,-0.5 13,-0.1 -0.982 32.4-103.9-123.1 139.2 88.5 29.9 -14.4 69 71 A E E -c 52 0A 94 -2,-0.4 -16,-0.2 -18,-0.2 -60,-0.1 -0.261 41.6-115.3 -59.9 137.3 88.3 33.3 -12.8 70 72 A G - 0 0 10 -18,-2.6 2,-0.1 1,-0.1 -1,-0.1 -0.114 22.2-132.8 -71.4 167.9 88.4 36.2 -15.3 71 73 A G - 0 0 16 2,-0.4 -61,-0.1 3,-0.1 -1,-0.1 -0.345 35.0 -89.9-105.9-168.6 91.1 38.9 -15.5 72 74 A D S S+ 0 0 154 -2,-0.1 2,-0.3 -62,-0.1 -2,-0.0 0.821 109.4 21.7 -74.6 -34.8 91.0 42.7 -15.8 73 75 A T S > S- 0 0 59 -63,-0.1 4,-2.9 1,-0.0 -2,-0.4 -0.776 89.7 -99.1-125.7 172.6 90.9 42.5 -19.7 74 76 A R H > S+ 0 0 64 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.848 123.9 45.3 -56.6 -40.9 90.0 39.9 -22.4 75 77 A A H > S+ 0 0 4 87,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.933 110.4 53.2 -73.6 -43.6 93.7 39.0 -22.9 76 78 A E H > S+ 0 0 57 86,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.949 112.1 46.7 -53.3 -50.8 94.3 38.8 -19.2 77 79 A S H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.918 112.8 49.3 -53.3 -48.3 91.3 36.4 -19.0 78 80 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.868 108.5 51.7 -66.5 -41.4 92.5 34.4 -22.0 79 81 A K H >X S+ 0 0 62 -4,-3.2 4,-1.5 2,-0.2 3,-0.5 0.993 110.3 49.2 -54.5 -66.4 96.1 34.0 -20.6 80 82 A K H 3< S+ 0 0 82 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.854 113.7 48.0 -35.6 -49.7 94.8 32.7 -17.3 81 83 A A H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.883 103.3 58.9 -68.6 -39.8 92.5 30.2 -19.2 82 84 A L H X< S+ 0 0 1 -4,-2.5 3,-2.8 -3,-0.5 -1,-0.2 0.807 89.6 73.6 -58.0 -32.5 95.2 28.9 -21.6 83 85 A E T 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.528 95.3 53.2 -61.1 -6.3 97.3 27.7 -18.6 84 86 A L T < S+ 0 0 60 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.3 0.247 93.9 92.9-107.6 6.7 94.6 25.0 -18.2 85 87 A I < + 0 0 5 -3,-2.8 5,-0.0 1,-0.1 -37,-0.0 -0.899 34.6 161.9-113.8 125.0 95.0 23.8 -21.8 86 88 A D + 0 0 116 -2,-0.5 -1,-0.1 3,-0.1 66,-0.1 0.587 43.3 108.8-114.6 -14.9 97.4 21.0 -23.0 87 89 A S S S- 0 0 5 1,-0.1 64,-0.2 2,-0.1 -85,-0.1 -0.241 77.4-119.3 -55.2 147.7 96.0 20.2 -26.5 88 90 A E S S+ 0 0 114 -87,-0.2 63,-1.4 63,-0.1 64,-0.5 0.908 97.3 40.5 -54.5 -45.4 98.1 21.3 -29.5 89 91 A F E -aD 2 150A 15 -88,-1.7 -86,-1.8 61,-0.3 2,-0.3 -0.685 66.3-167.8-106.8 157.7 95.2 23.5 -30.8 90 92 A V E -aD 3 149A 0 59,-2.4 59,-2.6 -88,-0.2 2,-0.6 -0.998 11.1-152.1-143.4 140.5 92.7 25.8 -29.0 91 93 A M E -aD 4 148A 0 -88,-2.9 -86,-3.0 -2,-0.3 2,-0.4 -0.971 17.6-169.3-114.3 122.6 89.5 27.5 -30.2 92 94 A V E +aD 5 147A 0 55,-2.3 55,-2.0 -2,-0.6 2,-0.3 -0.860 10.4 169.5-109.8 142.6 88.7 30.7 -28.4 93 95 A S E -a 6 0A 0 -88,-2.1 -86,-2.6 -2,-0.4 2,-0.3 -0.990 34.2-114.8-152.2 149.6 85.4 32.5 -28.7 94 96 A D E > -a 7 0A 18 -2,-0.3 3,-1.1 -88,-0.2 -86,-0.2 -0.658 16.9-145.0 -73.5 133.4 83.3 35.4 -27.2 95 97 A V T 3 S+ 0 0 6 -88,-1.8 -1,-0.1 -2,-0.3 -87,-0.1 0.956 100.0 69.6 -62.1 -46.9 80.1 34.3 -25.5 96 98 A A T 3 S+ 0 0 9 -89,-0.4 94,-2.6 1,-0.2 2,-1.1 0.665 85.1 74.8 -41.3 -23.1 78.6 37.5 -26.7 97 99 A R X + 0 0 29 -3,-1.1 3,-0.5 92,-0.2 -1,-0.2 -0.711 68.7 163.4 -93.0 84.1 78.9 35.9 -30.2 98 100 A V T 3 + 0 0 1 -2,-1.1 2,-0.7 90,-0.3 -1,-0.2 0.928 52.6 48.9 -79.4 -50.9 76.0 33.6 -29.6 99 101 A L T 3 + 0 0 27 87,-0.5 2,-0.3 89,-0.2 -1,-0.2 -0.189 64.1 163.7 -95.0 42.5 74.7 32.1 -32.9 100 102 A V < - 0 0 1 -2,-0.7 2,-0.1 -3,-0.5 87,-0.1 -0.455 35.3-130.2 -66.7 121.2 77.9 30.9 -34.5 101 103 A S > - 0 0 29 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.359 9.1-125.9 -77.4 151.0 76.8 28.5 -37.2 102 104 A K H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.915 109.6 64.7 -59.7 -43.6 78.1 24.9 -37.8 103 105 A N H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 103.2 45.0 -37.9 -58.7 78.8 26.0 -41.4 104 106 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.811 108.8 56.5 -63.9 -35.2 81.4 28.6 -40.3 105 107 A F H X S+ 0 0 3 -4,-1.4 4,-2.4 -3,-0.3 3,-0.2 0.917 105.0 52.1 -61.0 -42.9 83.0 26.2 -37.9 106 108 A D H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 107.3 53.3 -63.1 -36.8 83.6 23.7 -40.7 107 109 A R H < S+ 0 0 57 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.815 109.9 48.1 -64.0 -36.1 85.3 26.5 -42.7 108 110 A L H >< S+ 0 0 0 -4,-1.5 3,-1.2 -3,-0.2 -2,-0.2 0.958 115.7 41.7 -69.5 -49.4 87.6 27.2 -39.8 109 111 A I H >< S+ 0 0 47 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.750 104.9 63.9 -76.5 -25.7 88.6 23.6 -39.2 110 112 A E T 3< S+ 0 0 134 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.485 108.1 44.6 -74.3 -3.0 88.9 22.7 -42.9 111 113 A N T X S+ 0 0 17 -3,-1.2 3,-0.6 -4,-0.1 4,-0.5 0.006 76.3 128.2-123.5 25.7 91.8 25.3 -43.0 112 114 A L T < S+ 0 0 34 -3,-1.3 -2,-0.1 1,-0.2 3,-0.1 0.663 73.7 40.2 -59.8 -22.3 93.5 24.1 -39.8 113 115 A D T 3 S+ 0 0 139 1,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.694 88.2 85.8-106.1 -20.5 96.9 23.7 -41.3 114 116 A K S < S- 0 0 126 -3,-0.6 2,-0.2 2,-0.0 -2,-0.1 0.711 103.2 -12.5 -56.5 -29.4 97.4 26.7 -43.6 115 117 A A S S- 0 0 14 -4,-0.5 63,-0.2 -3,-0.1 3,-0.1 -0.816 74.6 -85.5-155.5-163.3 98.7 29.1 -40.8 116 118 A D S S+ 0 0 39 61,-2.5 34,-1.6 1,-0.3 2,-0.3 0.720 108.1 18.4 -93.7 -27.2 99.1 29.8 -37.1 117 119 A C E S-Ef 149 178A 0 60,-1.2 62,-2.4 32,-0.2 2,-0.4 -0.979 70.8-151.6-143.8 138.8 95.8 31.3 -36.2 118 120 A I E +Ef 148 179A 3 30,-3.0 30,-1.7 -2,-0.3 62,-0.2 -0.951 21.5 178.3-117.7 133.5 92.6 30.9 -38.3 119 121 A T E - 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0 0 13 -2,-2.1 2,-0.1 -5,-0.5 -2,-0.0 -0.420 41.2-109.6 -71.3 131.3 68.0 35.1 -30.7 202 204 A P - 0 0 44 0, 0.0 -175,-0.2 0, 0.0 -1,-0.1 -0.432 38.2-117.7 -54.9 125.5 65.6 32.6 -29.1 203 205 A T - 0 0 85 -177,-0.2 -176,-0.8 -2,-0.1 -177,-0.1 -0.299 43.1 -84.0 -65.9 153.5 63.2 34.6 -26.9 204 206 A P B -i 27 0C 14 0, 0.0 -176,-0.2 0, 0.0 -1,-0.1 -0.184 48.0 -97.1 -66.7 152.7 63.4 33.6 -23.1 205 207 A S - 0 0 25 -178,-1.7 158,-0.4 1,-0.1 -180,-0.1 -0.144 27.1-122.5 -63.7 159.4 61.5 30.7 -21.6 206 208 A F + 0 0 197 156,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.182 61.7 135.9 -96.5 19.7 58.2 31.3 -19.9 207 209 A E - 0 0 91 155,-0.0 156,-0.6 1,-0.0 2,-0.4 -0.437 40.0-153.2 -73.0 140.6 59.1 29.9 -16.5 208 210 A I E -K 362 0E 95 154,-0.1 2,-0.4 -2,-0.1 154,-0.2 -0.902 6.5-145.9-114.5 143.0 58.1 31.8 -13.5 209 211 A F E -K 361 0E 61 152,-3.4 152,-2.8 -2,-0.4 2,-0.3 -0.896 8.0-146.6-114.5 136.2 60.0 31.5 -10.2 210 212 A T E -K 360 0E 96 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.734 13.8-175.6-105.7 152.4 58.5 31.7 -6.7 211 213 A G E -K 359 0E 4 148,-1.9 148,-2.1 -2,-0.3 2,-0.3 -0.998 7.8-161.9-143.9 142.5 60.0 33.1 -3.6 212 214 A N E -K 358 0E 124 -2,-0.3 2,-0.3 146,-0.2 45,-0.2 -0.864 6.1-167.0-119.1 157.2 58.9 33.3 0.1 213 215 A G E -K 357 0E 2 144,-1.7 144,-2.3 -2,-0.3 2,-0.4 -0.967 5.6-179.2-148.1 126.3 60.2 35.6 2.9 214 216 A F E +K 356 0E 101 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.993 8.9 164.8-132.4 130.8 59.7 35.5 6.6 215 217 A D E -K 355 0E 32 140,-1.3 140,-1.8 -2,-0.4 2,-0.4 -0.998 14.2-162.9-147.6 142.1 61.1 37.9 9.2 216 218 A V E -K 354 0E 58 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.925 5.6-174.8-125.2 143.4 60.4 38.7 12.9 217 219 A H E -K 353 0E 16 136,-1.9 136,-2.5 -2,-0.4 2,-0.2 -0.998 24.2-120.4-141.5 144.4 61.2 41.7 15.0 218 220 A E E -K 352 0E 118 21,-0.4 21,-2.9 -2,-0.3 134,-0.3 -0.529 27.3-133.8 -82.8 144.4 60.8 42.4 18.7 219 221 A F + 0 0 20 132,-3.2 19,-0.2 19,-0.2 -1,-0.1 -0.183 67.4 76.1 -86.1-177.3 58.7 45.3 19.8 220 222 A G + 0 0 59 17,-0.5 2,-0.3 1,-0.2 18,-0.2 0.980 51.0 134.9 76.0 60.7 59.5 48.0 22.5 221 223 A E E -N 237 0F 78 16,-1.2 2,-2.1 14,-0.3 16,-1.2 -0.947 55.5-128.0-136.1 119.1 62.0 50.4 21.0 222 224 A N E S+N 236 0F 144 -2,-0.3 14,-0.2 14,-0.1 13,-0.1 -0.377 77.0 77.9 -73.9 78.5 61.4 54.1 21.5 223 225 A R S S- 0 0 66 -2,-2.1 14,-0.7 12,-0.9 -2,-0.2 -0.874 90.5 -58.9-160.9 179.9 61.6 55.4 17.9 224 226 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 14,-0.4 -0.439 45.3-121.1 -77.1 150.5 59.3 55.4 14.8 225 227 A L E -O 233 0G 1 8,-2.7 7,-3.1 12,-0.2 8,-0.6 -0.828 30.9-167.2 -90.1 112.9 57.8 52.2 13.3 226 228 A L E +O 231 0G 46 -2,-0.7 2,-0.4 17,-0.4 20,-0.3 -0.910 11.0 175.7-106.9 123.7 58.9 52.0 9.6 227 229 A L E > S-O 230 0G 0 3,-2.3 3,-1.4 -2,-0.5 18,-0.1 -0.987 80.3 -11.2-130.8 124.8 57.3 49.5 7.3 228 230 A A T 3 S- 0 0 0 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.827 128.5 -65.3 52.3 31.6 58.1 49.5 3.6 229 231 A G T 3 S+ 0 0 28 1,-0.2 2,-0.4 93,-0.0 -1,-0.3 0.823 109.0 125.6 59.2 32.6 59.8 52.8 4.7 230 232 A V E < -O 227 0G 27 -3,-1.4 -3,-2.3 -5,-0.0 2,-0.5 -0.987 66.5-119.6-114.1 134.6 56.5 54.5 5.5 231 233 A Q E +O 226 0G 103 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.632 35.4 174.2 -78.5 120.4 56.2 55.9 9.1 232 234 A I E - 0 0 10 -7,-3.1 -1,-0.2 -2,-0.5 -6,-0.1 0.812 65.3 -1.7 -96.9 -37.0 53.4 54.1 10.8 233 235 A H E -O 225 0G 57 -8,-0.6 -8,-2.7 77,-0.0 -1,-0.4 -0.951 64.5-127.2-164.4 134.9 53.6 55.4 14.3 234 236 A P S S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.684 99.9 13.1 -71.0 -21.1 56.0 57.8 16.0 235 237 A T S S+ 0 0 71 -11,-0.1 2,-2.6 -13,-0.1 -12,-0.9 0.577 92.8 94.9-130.1 -18.9 57.1 55.6 19.0 236 238 A M E +N 222 0F 62 -14,-0.2 -14,-0.1 -16,-0.1 -1,-0.1 -0.273 64.1 167.9 -79.2 56.4 56.0 52.0 18.7 237 239 A G E -N 221 0F 0 -2,-2.6 -16,-1.2 -16,-1.2 -17,-0.5 -0.139 34.6-116.8 -79.2 162.7 59.4 51.1 17.2 238 240 A L - 0 0 3 -14,-0.4 2,-2.3 5,-0.2 -19,-0.2 -0.813 22.5-119.8-102.1 142.0 61.0 47.7 16.6 239 241 A K + 0 0 101 -21,-2.9 -21,-0.4 -2,-0.4 2,-0.1 -0.429 59.7 152.8 -74.0 68.4 64.1 46.5 18.3 240 242 A A - 0 0 22 -2,-2.3 -23,-0.0 2,-0.2 3,-0.0 -0.300 59.5-126.1-103.7-171.8 66.2 46.1 15.1 241 243 A H S S+ 0 0 41 -2,-0.1 2,-0.2 37,-0.0 -1,-0.1 0.534 102.3 18.7-104.8 -17.8 69.8 46.1 13.9 242 244 A S S S- 0 0 6 36,-0.0 -2,-0.2 0, 0.0 36,-0.2 -0.305 128.9 -46.9-126.2-149.3 68.9 48.7 11.2 243 245 A D S S- 0 0 23 35,-1.7 -17,-0.4 -2,-0.2 -5,-0.2 0.543 81.1-117.7 -73.5 -7.6 65.9 51.0 10.9 244 246 A G + 0 0 2 1,-0.2 2,-1.4 34,-0.1 3,-0.1 0.495 52.4 163.0 94.8 8.1 63.8 48.0 11.8 245 247 A D > + 0 0 0 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.437 9.5 177.6 -63.1 87.5 61.7 47.6 8.6 246 248 A V H > S+ 0 0 0 -2,-1.4 4,-1.9 -20,-0.3 -1,-0.2 0.856 80.0 54.5 -59.7 -38.5 60.3 44.1 9.0 247 249 A L H > S+ 0 0 0 -21,-0.3 4,-2.6 1,-0.2 3,-0.5 0.988 107.9 48.1 -58.0 -55.0 58.3 44.4 5.9 248 250 A A H > S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.817 113.8 45.8 -62.3 -34.4 61.3 45.4 3.8 249 251 A H H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.816 111.3 52.8 -75.2 -30.8 63.5 42.6 5.0 250 252 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -3,-0.5 -2,-0.2 0.964 112.8 44.1 -68.5 -45.9 60.8 40.0 4.6 251 253 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.892 109.1 57.5 -62.9 -43.5 60.3 41.1 1.0 252 254 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.939 106.7 49.1 -51.4 -52.4 64.1 41.3 0.4 253 255 A D H X S+ 0 0 24 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.943 110.7 50.7 -52.8 -49.4 64.4 37.6 1.4 254 256 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.933 111.1 46.9 -60.6 -47.1 61.5 36.7 -0.9 255 257 A I H X S+ 0 0 0 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.909 117.4 44.4 -59.0 -42.1 63.1 38.5 -3.9 256 258 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.2 -5,-0.2 3,-1.3 0.959 110.9 52.3 -66.5 -50.9 66.5 36.8 -3.1 257 259 A G H ><5S+ 0 0 41 -4,-3.6 3,-0.8 1,-0.3 -1,-0.2 0.812 105.4 55.8 -56.3 -35.5 65.1 33.3 -2.5 258 260 A A H 3<5S+ 0 0 5 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.773 111.0 45.0 -66.9 -26.6 63.3 33.4 -5.8 259 261 A A T <<5S- 0 0 7 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.352 113.0-117.6 -99.7 3.1 66.6 34.1 -7.6 260 262 A G T < 5S+ 0 0 35 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.898 74.7 133.5 59.5 41.1 68.5 31.5 -5.6 261 263 A L < - 0 0 43 -5,-2.2 -4,-0.2 1,-0.4 2,-0.2 -0.098 66.2-117.3-110.2 31.1 70.6 34.3 -4.2 262 264 A G - 0 0 45 -6,-0.2 -1,-0.4 -5,-0.2 2,-0.2 -0.451 47.1 -55.3 77.8-142.5 70.4 33.1 -0.6 263 265 A D >> - 0 0 70 -2,-0.2 3,-1.1 -7,-0.1 4,-0.7 -0.736 54.2 -87.3-131.4-176.9 68.8 35.2 2.1 264 266 A I H >> S+ 0 0 25 1,-0.3 4,-3.3 -2,-0.2 3,-1.0 0.860 120.5 56.6 -65.0 -37.7 69.2 38.7 3.5 265 267 A G H 34 S+ 0 0 28 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.689 96.6 63.0 -68.2 -21.5 71.9 37.8 6.0 266 268 A E H <4 S+ 0 0 148 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.776 118.8 28.5 -73.4 -24.2 74.2 36.4 3.3 267 269 A L H << S+ 0 0 47 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.1 0.875 134.9 24.0 -92.7 -55.2 74.3 40.0 1.9 268 270 A Y S < S- 0 0 31 -4,-3.3 -1,-0.2 5,-0.0 -2,-0.1 -0.711 80.1-168.3-124.3 76.9 73.7 42.3 4.9 269 271 A P - 0 0 43 0, 0.0 6,-0.2 0, 0.0 -3,-0.1 -0.305 28.9-129.7 -76.7 150.1 74.8 40.6 8.1 270 272 A D S S+ 0 0 96 1,-0.2 -5,-0.0 3,-0.1 -2,-0.0 0.557 101.6 68.3 -68.9 -11.8 74.1 41.8 11.7 271 273 A T S S+ 0 0 141 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.988 96.1 50.2 -73.5 -64.0 77.8 41.4 12.6 272 274 A D S S- 0 0 72 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.622 74.4-167.1 -69.6 128.3 79.2 44.2 10.4 273 275 A M + 0 0 81 -2,-0.3 3,-0.3 1,-0.2 4,-0.2 -0.451 58.6 114.0-129.8 63.9 77.2 47.4 11.1 274 276 A K S > S+ 0 0 158 1,-0.1 4,-0.5 2,-0.1 3,-0.2 0.300 89.5 66.7 -75.2 -9.0 78.0 50.0 8.5 275 277 A F T 4 + 0 0 26 -6,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.207 69.6 96.5 -89.2 8.9 74.4 48.6 8.5 276 278 A K T 4 S+ 0 0 143 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.973 93.0 36.4 -60.6 -55.0 73.8 50.2 11.9 277 279 A N T 4 S+ 0 0 151 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.993 93.2 160.1 -46.9 -73.6 72.2 53.2 10.2 278 280 A A < - 0 0 11 -4,-0.5 -35,-1.7 -36,-0.2 2,-1.1 0.954 38.4-152.2 36.3 102.0 70.6 51.1 7.4 279 281 A N >> - 0 0 95 1,-0.2 4,-1.6 -37,-0.1 3,-1.2 -0.831 17.2-157.1 -83.5 100.3 67.7 52.4 5.4 280 282 A S H 3> S+ 0 0 0 -2,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.766 86.1 61.1 -54.6 -34.0 66.2 49.0 4.7 281 283 A M H 3> S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.872 105.3 48.5 -63.4 -35.4 64.3 50.1 1.6 282 284 A E H <> S+ 0 0 84 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.934 109.6 51.8 -70.1 -44.5 67.7 51.0 -0.0 283 285 A L H X S+ 0 0 17 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.842 109.5 52.0 -55.2 -35.9 69.0 47.6 1.0 284 286 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.944 107.1 50.9 -65.8 -50.4 66.0 46.2 -0.7 285 287 A K H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 110.9 49.5 -47.9 -50.7 66.6 48.1 -3.9 286 288 A Q H X S+ 0 0 76 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.835 107.6 54.0 -63.3 -34.7 70.2 46.8 -3.9 287 289 A A H >X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-0.8 0.940 110.2 46.9 -62.5 -47.4 68.9 43.3 -3.4 288 290 A Y H 3X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.3 -2,-0.2 0.840 103.7 62.5 -64.9 -34.1 66.7 43.6 -6.4 289 291 A D H 3X S+ 0 0 34 -4,-2.2 4,-1.4 1,-0.2 -1,-0.3 0.790 104.1 49.2 -61.6 -30.0 69.6 45.1 -8.4 290 292 A K H S+ 0 0 0 -4,-1.5 5,-1.7 1,-0.2 3,-0.4 0.869 110.5 51.7 -65.7 -34.5 68.3 39.8 -9.1 292 294 A R H ><5S+ 0 0 60 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.885 101.2 61.3 -70.1 -37.9 68.1 42.1 -12.1 293 295 A E H 3<5S+ 0 0 57 -4,-1.4 -273,-1.4 1,-0.3 -270,-0.2 0.742 102.7 51.7 -58.0 -29.9 71.8 41.5 -13.0 294 296 A I T 3<5S- 0 0 8 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.178 128.7 -90.7-101.1 16.7 71.2 37.8 -13.5 295 297 A G T < 5S+ 0 0 1 -3,-1.7 69,-3.0 1,-0.3 2,-0.3 0.664 80.9 130.6 93.9 21.0 68.2 38.2 -15.8 296 298 A F E < -L 363 0E 8 -5,-1.7 2,-0.3 67,-0.3 -1,-0.3 -0.719 31.4-171.4-110.1 160.4 65.1 38.3 -13.6 297 299 A E E -L 362 0E 53 65,-2.4 65,-3.2 -2,-0.3 2,-0.2 -0.991 28.5-112.2-148.5 133.3 62.2 40.7 -13.3 298 300 A L E -L 361 0E 2 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.499 23.8-177.4 -68.8 130.1 59.4 40.9 -10.7 299 301 A I E - 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0 0 164 1,-0.2 3,-0.4 -2,-0.1 4,-0.1 -0.569 27.5-168.9 -69.6 111.7 46.0 49.1 12.6 312 314 A L >> + 0 0 7 -2,-0.6 3,-1.2 1,-0.2 4,-0.5 0.392 55.1 106.6 -88.2 3.5 47.9 49.3 9.3 313 315 A K G >4 S+ 0 0 117 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.889 77.7 47.8 -47.5 -56.5 44.7 50.0 7.3 314 316 A D G 34 S+ 0 0 138 -3,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.690 114.3 48.3 -64.2 -18.6 45.3 53.7 6.6 315 317 A F G <> S+ 0 0 64 -3,-1.2 4,-1.9 1,-0.1 -1,-0.3 0.383 81.4 93.7-105.7 1.2 48.9 53.1 5.5 316 318 A K H S+ 0 0 136 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.836 113.2 52.9 -66.6 -32.1 48.2 52.4 -0.1 318 320 A A H > S+ 0 0 43 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.848 110.3 46.1 -71.9 -34.6 51.2 54.3 1.1 319 321 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.963 114.2 46.6 -70.6 -54.1 53.3 51.1 1.6 320 322 A Q H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.936 113.3 51.7 -50.5 -50.8 52.4 49.6 -1.8 321 323 A S H X S+ 0 0 50 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.865 109.8 47.9 -53.9 -43.6 53.1 53.0 -3.3 322 324 A N H X S+ 0 0 43 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.887 111.1 49.6 -70.4 -38.2 56.6 53.3 -1.7 323 325 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.978 108.8 53.8 -59.5 -56.2 57.6 49.7 -2.7 324 326 A A H X>S+ 0 0 8 -4,-2.5 5,-2.0 1,-0.2 4,-0.6 0.853 112.8 44.6 -41.2 -43.8 56.5 50.5 -6.3 325 327 A H H <5S+ 0 0 152 -4,-1.5 3,-0.5 3,-0.2 -1,-0.2 0.962 115.1 45.7 -73.4 -50.7 58.8 53.5 -6.2 326 328 A T H <5S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 121.6 36.3 -55.6 -48.6 61.8 51.9 -4.6 327 329 A L H <5S- 0 0 4 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.461 108.4-124.5 -91.9 -3.9 61.7 48.7 -6.8 328 330 A D T <5 + 0 0 126 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.925 62.2 130.6 60.0 53.8 60.6 50.7 -9.9 329 331 A L < - 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0 0 48 -2,-0.3 -32,-0.1 -34,-0.2 8,-0.1 -0.398 24.4-129.6 -77.0 170.8 46.4 40.1 13.9 341 343 A T > - 0 0 40 -2,-0.1 3,-2.0 3,-0.1 7,-0.2 -0.042 49.3-104.5-110.7 29.2 46.7 36.7 15.5 342 344 A E T 3 S- 0 0 148 1,-0.3 3,-0.1 5,-0.1 6,-0.1 0.922 73.9 -57.0 48.8 51.3 43.6 37.4 17.7 343 345 A K T 3 S+ 0 0 160 1,-0.2 -1,-0.3 5,-0.1 2,-0.2 0.454 108.5 127.4 66.8 3.2 45.7 38.0 20.8 344 346 A L <> - 0 0 125 -3,-2.0 4,-1.8 4,-0.1 -1,-0.2 -0.611 57.2 -0.3 -95.1 152.4 47.3 34.5 20.6 345 347 A G H > S- 0 0 43 -2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.100 107.9 -51.3 65.1 179.4 51.0 33.7 20.5 346 348 A F H >>S+ 0 0 83 1,-0.2 5,-2.3 2,-0.2 4,-0.6 0.888 139.4 52.5 -56.3 -39.2 53.8 36.2 20.8 347 349 A I H >45S+ 0 0 13 1,-0.2 3,-0.9 2,-0.2 -39,-0.7 0.937 112.7 44.4 -62.6 -42.6 52.4 38.3 17.9 348 350 A G H 3<5S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.6 55.0 -76.0 -30.3 49.0 38.5 19.7 349 351 A R H 3<5S- 0 0 143 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.502 116.2-117.5 -72.8 -11.7 50.6 39.2 23.1 350 352 A K T <<5S+ 0 0 111 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.654 74.7 131.5 80.3 23.1 52.4 42.2 21.3 351 353 A E S