==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-APR-08 3CZ9 . COMPND 2 MOLECULE: PROTEIN DJ-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.WITT,M.LAKSHMINARASIMHAN,B.C.REMINGTON,S.HASIM, . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9122.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.3 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 14 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 1 0 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 151 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 8.0 32.3 11.9 2 3 A S - 0 0 74 1,-0.1 2,-0.1 28,-0.0 28,-0.1 -0.509 360.0-113.0 -85.0 154.0 9.5 32.1 15.3 3 4 A K - 0 0 74 -2,-0.2 28,-3.0 26,-0.1 2,-0.4 -0.481 30.3-142.4 -77.9 154.4 13.1 31.0 16.1 4 5 A R E -a 31 0A 61 26,-0.2 63,-1.4 -2,-0.1 64,-1.2 -0.944 11.2-163.4-129.1 143.3 13.7 27.7 17.9 5 6 A A E -ab 32 68A 0 26,-2.6 28,-2.8 -2,-0.4 2,-0.5 -0.982 9.1-153.0-127.3 139.8 16.2 26.7 20.5 6 7 A L E -ab 33 69A 2 62,-2.4 64,-3.2 -2,-0.4 2,-0.5 -0.964 11.4-168.8-108.8 120.0 17.3 23.3 21.7 7 8 A V E -ab 34 70A 1 26,-2.8 28,-3.0 -2,-0.5 2,-0.6 -0.960 13.5-146.6-110.3 118.7 18.6 23.2 25.4 8 9 A I E -a 35 0A 1 62,-2.1 2,-0.6 -2,-0.5 28,-0.2 -0.786 13.6-163.5 -95.5 117.9 20.3 19.9 26.2 9 10 A L E +a 36 0A 0 26,-3.0 28,-2.3 -2,-0.6 29,-0.4 -0.890 12.5 173.0-111.6 112.6 19.7 19.0 29.8 10 11 A A > - 0 0 2 -2,-0.6 3,-2.1 26,-0.2 67,-0.1 -0.821 44.3 -80.8-114.7 155.6 22.0 16.3 31.5 11 12 A K T 3 S+ 0 0 123 -2,-0.3 69,-0.3 1,-0.3 34,-0.2 -0.232 118.3 25.0 -50.8 133.6 22.3 15.0 35.0 12 13 A G T 3 S+ 0 0 8 32,-2.3 65,-1.4 1,-0.3 64,-0.4 0.488 84.7 149.6 84.2 3.5 24.5 17.5 37.0 13 14 A A < - 0 0 3 -3,-2.1 33,-3.0 63,-0.2 2,-0.6 -0.345 59.6-102.9 -60.8 150.2 23.7 20.5 34.8 14 15 A E > - 0 0 14 59,-2.2 4,-0.9 31,-0.2 59,-0.2 -0.666 29.9-149.9 -76.2 116.5 23.8 23.8 36.7 15 16 A E H > S+ 0 0 13 -2,-0.6 4,-2.9 1,-0.2 3,-0.3 0.821 93.8 51.4 -64.9 -33.6 20.1 24.6 37.1 16 17 A M H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 108.9 51.9 -65.2 -41.1 20.5 28.4 37.0 17 18 A L H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.651 116.1 42.4 -70.5 -15.3 22.5 28.0 33.8 18 19 A T H X S+ 0 0 2 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.853 117.7 41.3 -89.8 -54.7 19.6 26.0 32.4 19 20 A V H X S+ 0 0 67 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.873 108.2 57.1 -70.4 -39.4 16.6 27.9 33.6 20 21 A I H X S+ 0 0 31 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.968 112.0 41.7 -61.2 -50.9 17.8 31.5 33.0 21 22 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.921 115.7 50.4 -63.4 -40.0 18.4 30.9 29.3 22 23 A V H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.947 115.3 42.7 -58.4 -49.3 15.2 28.9 28.9 23 24 A D H X S+ 0 0 75 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.953 115.7 46.6 -65.0 -50.7 13.1 31.5 30.6 24 25 A V H X S+ 0 0 1 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.895 112.5 51.0 -62.4 -40.1 14.7 34.5 28.9 25 26 A M H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.3 3,-0.3 0.921 110.1 49.7 -63.8 -40.0 14.5 32.9 25.4 26 27 A R H ><5S+ 0 0 113 -4,-2.2 3,-1.8 -5,-0.2 -2,-0.2 0.899 106.0 56.2 -64.8 -36.4 10.8 32.1 26.0 27 28 A R H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 104.5 54.9 -60.6 -30.7 10.2 35.8 27.0 28 29 A A T 3<5S- 0 0 11 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.361 122.7-108.0 -81.3 1.7 11.7 36.6 23.6 29 30 A G T < 5 + 0 0 43 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.637 69.6 147.8 78.5 13.2 9.1 34.4 21.8 30 31 A I < - 0 0 5 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.3 -0.602 53.3-123.3 -76.0 141.2 11.7 31.8 20.9 31 32 A K E -a 4 0A 133 -28,-3.0 -26,-2.6 -2,-0.3 2,-0.5 -0.812 36.9-166.0 -85.5 107.0 10.2 28.2 20.8 32 33 A V E -a 5 0A 12 -2,-0.8 2,-0.5 -28,-0.2 -26,-0.2 -0.849 14.8-163.7-104.0 132.1 12.4 26.4 23.3 33 34 A T E -a 6 0A 29 -28,-2.8 -26,-2.8 -2,-0.5 2,-0.8 -0.969 8.8-154.0-111.3 118.8 12.7 22.6 23.7 34 35 A V E -a 7 0A 9 -2,-0.5 20,-1.8 -28,-0.2 21,-1.4 -0.843 22.5-165.9 -88.0 109.9 14.3 21.4 26.9 35 36 A A E -ac 8 55A 0 -28,-3.0 -26,-3.0 -2,-0.8 2,-0.5 -0.886 15.3-134.9-109.8 127.7 15.6 18.0 25.9 36 37 A G E > -ac 9 56A 0 19,-2.6 21,-2.6 -2,-0.5 3,-0.8 -0.608 5.2-150.9 -83.3 123.4 16.8 15.4 28.3 37 38 A L T 3 S+ 0 0 41 -28,-2.3 -1,-0.2 -2,-0.5 21,-0.2 0.916 96.7 40.8 -52.7 -47.7 20.0 13.8 27.3 38 39 A A T 3 S- 0 0 108 -29,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.544 125.9 -79.2 -85.1 -3.7 19.1 10.5 29.0 39 40 A G < - 0 0 21 -3,-0.8 -1,-0.2 16,-0.2 -3,-0.2 -0.946 67.5 -45.4 136.5-165.8 15.5 10.3 28.1 40 41 A K S S+ 0 0 149 -2,-0.3 3,-0.1 16,-0.1 -1,-0.1 0.537 94.8 111.3 -79.5 -14.0 12.2 11.8 29.1 41 42 A D S S- 0 0 124 1,-0.1 -3,-0.1 11,-0.1 -2,-0.1 -0.205 80.0 -82.3 -72.2 159.0 12.7 11.4 32.8 42 43 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.236 44.4-133.0 -56.2 148.9 13.3 14.1 35.4 43 44 A V E -G 51 0B 13 8,-3.0 8,-2.3 -3,-0.1 2,-0.8 -0.920 2.7-141.7-115.1 124.5 16.8 15.5 35.7 44 45 A Q E -G 50 0B 85 -2,-0.5 -32,-2.3 6,-0.2 6,-0.2 -0.770 26.3-152.0 -84.1 110.5 18.7 16.0 38.9 45 46 A C > - 0 0 3 4,-2.9 3,-2.1 -2,-0.8 -31,-0.2 -0.173 31.4 -89.8 -80.6 174.0 20.7 19.2 38.6 46 47 A S T 3 S+ 0 0 40 -33,-3.0 -32,-0.1 1,-0.3 -1,-0.1 0.786 128.0 39.7 -57.4 -37.8 23.9 20.1 40.3 47 48 A R T 3 S- 0 0 174 -34,-0.3 -1,-0.3 2,-0.1 3,-0.1 -0.038 124.1-100.1-105.7 28.9 22.2 21.8 43.3 48 49 A D S < S+ 0 0 106 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.442 73.4 145.2 71.5 6.9 19.5 19.1 43.4 49 50 A V - 0 0 74 -5,-0.1 -4,-2.9 1,-0.0 2,-0.6 -0.593 42.7-142.3 -66.5 134.7 16.8 21.1 41.7 50 51 A V E -G 44 0B 88 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.930 18.9-171.8-109.4 118.2 14.8 18.5 39.6 51 52 A I E -G 43 0B 32 -8,-2.3 -8,-3.0 -2,-0.6 -42,-0.0 -0.928 17.5-140.3-113.3 134.5 13.6 19.6 36.2 52 53 A C - 0 0 91 -2,-0.4 -11,-0.1 -10,-0.2 -18,-0.1 -0.836 25.6-132.9 -91.6 118.6 11.3 17.6 33.9 53 54 A P - 0 0 16 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.278 8.7-129.0 -70.4 158.0 12.3 17.9 30.3 54 55 A D S S- 0 0 87 -20,-1.8 2,-0.3 1,-0.2 -19,-0.2 0.805 85.6 -16.7 -68.3 -33.0 9.9 18.7 27.5 55 56 A A E S-c 35 0A 26 -21,-1.4 -19,-2.6 -16,-0.1 -1,-0.2 -0.965 77.4 -86.3-161.3 165.3 11.2 15.7 25.5 56 57 A S E > -c 36 0A 4 -2,-0.3 4,-2.8 -21,-0.2 5,-0.2 -0.447 40.7-116.7 -72.4 155.2 14.0 13.3 25.2 57 58 A L H > S+ 0 0 6 -21,-2.6 4,-2.6 2,-0.2 5,-0.2 0.901 115.6 59.3 -59.6 -38.4 17.0 14.4 23.1 58 59 A E H > S+ 0 0 139 -22,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.932 111.2 39.3 -56.3 -45.6 16.2 11.5 20.7 59 60 A D H > S+ 0 0 69 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.933 114.2 53.0 -72.2 -40.3 12.8 12.9 20.0 60 61 A A H >< S+ 0 0 2 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.870 101.9 60.0 -64.3 -34.0 13.8 16.5 20.0 61 62 A K H >< S+ 0 0 62 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.903 99.6 56.9 -60.7 -35.4 16.5 15.8 17.4 62 63 A K H 3< S+ 0 0 150 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.745 104.0 54.8 -71.3 -17.5 13.8 14.6 15.0 63 64 A E T << S+ 0 0 123 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.277 104.8 111.7-100.1 10.1 12.0 17.9 15.3 64 65 A G < + 0 0 30 -3,-1.7 2,-0.2 -4,-0.1 -3,-0.1 -0.039 25.2 118.6 -80.9-166.7 15.0 20.1 14.3 65 66 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -61,-0.0 0.539 54.4-159.0 -79.0 168.6 16.9 21.8 13.1 66 67 A Y - 0 0 10 -2,-0.2 -61,-0.2 1,-0.1 3,-0.1 -0.834 26.2-131.6-113.2 149.4 17.1 24.6 15.6 67 68 A D S S+ 0 0 51 -63,-1.4 33,-1.1 -2,-0.3 2,-0.3 0.763 97.2 16.4 -71.1 -25.2 18.3 28.2 15.3 68 69 A V E -bd 5 100A 0 -64,-1.2 -62,-2.4 31,-0.1 2,-0.5 -0.985 61.4-154.3-146.4 142.9 20.5 27.7 18.4 69 70 A V E -bd 6 101A 2 31,-1.6 33,-2.7 -2,-0.3 2,-0.5 -0.983 23.4-157.8-110.1 124.4 21.7 24.7 20.4 70 71 A V E -bd 7 102A 1 -64,-3.2 -62,-2.1 -2,-0.5 33,-0.2 -0.929 9.9-165.3-112.5 128.2 22.4 25.7 24.0 71 72 A L E - d 0 103A 0 31,-2.7 33,-2.0 -2,-0.5 36,-0.1 -0.939 12.5-152.3-112.4 107.8 24.7 23.8 26.4 72 73 A P - 0 0 3 0, 0.0 -54,-0.1 0, 0.0 -57,-0.1 -0.247 17.0-124.2 -64.9 164.0 24.3 24.7 30.1 73 74 A G + 0 0 0 -59,-0.2 -59,-2.2 33,-0.1 32,-0.1 0.055 51.1 128.3 -92.4-150.4 27.2 24.4 32.4 74 75 A G > - 0 0 6 -61,-0.3 4,-3.0 3,-0.1 5,-0.3 0.390 63.4-114.5 93.0 121.4 27.7 22.4 35.7 75 76 A N H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.900 114.4 43.5 -58.1 -45.0 30.9 20.3 35.6 76 77 A L H > S+ 0 0 124 -64,-0.4 4,-2.1 2,-0.2 -63,-0.2 0.885 115.0 50.1 -72.2 -35.3 29.1 16.9 35.8 77 78 A G H > S+ 0 0 2 -65,-1.4 4,-2.6 2,-0.2 -64,-0.2 0.944 110.6 50.0 -62.4 -44.0 26.5 18.0 33.2 78 79 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 -66,-0.3 -2,-0.2 0.888 109.6 51.6 -62.9 -36.9 29.2 19.2 30.9 79 80 A Q H X S+ 0 0 83 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.919 108.4 50.1 -69.1 -39.0 31.0 15.9 31.2 80 81 A N H X S+ 0 0 55 -4,-2.1 4,-0.6 -69,-0.3 3,-0.3 0.935 112.3 48.5 -61.5 -42.1 27.8 14.0 30.4 81 82 A L H >< S+ 0 0 3 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.909 110.8 51.9 -60.3 -41.0 27.4 16.3 27.3 82 83 A S H 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 109.0 49.3 -67.6 -26.4 31.0 15.6 26.4 83 84 A E H 3< S+ 0 0 136 -4,-1.6 2,-0.6 -3,-0.3 -1,-0.2 0.483 89.8 103.0 -91.4 -6.0 30.6 11.8 26.6 84 85 A S S+ 0 0 78 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.849 95.0 58.1 -63.9 -31.9 27.6 10.5 20.9 86 87 A A H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.921 106.6 47.0 -64.6 -43.9 24.2 12.0 20.3 87 88 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.915 109.2 55.6 -63.8 -41.1 25.4 15.4 21.4 88 89 A K H X S+ 0 0 78 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.937 109.9 45.9 -52.9 -49.4 28.4 15.0 19.1 89 90 A E H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.919 113.0 49.2 -62.8 -46.0 26.1 14.4 16.2 90 91 A I H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.930 114.0 45.4 -60.5 -45.3 23.8 17.3 17.0 91 92 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.906 112.8 49.7 -69.4 -40.0 26.7 19.8 17.4 92 93 A K H X S+ 0 0 82 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.906 112.6 47.8 -62.4 -43.4 28.5 18.6 14.3 93 94 A E H X S+ 0 0 95 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.894 112.1 49.8 -65.1 -39.0 25.3 19.0 12.3 94 95 A Q H <>S+ 0 0 8 -4,-2.2 5,-2.7 -5,-0.2 4,-0.2 0.934 112.7 46.9 -64.9 -42.6 24.6 22.4 13.7 95 96 A E H ><5S+ 0 0 77 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.919 111.0 52.4 -63.0 -42.6 28.1 23.5 12.9 96 97 A N H 3<5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.929 109.2 48.0 -63.0 -40.3 27.9 22.1 9.4 97 98 A R T 3<5S- 0 0 110 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.359 116.5-112.8 -81.9 6.2 24.6 24.0 8.7 98 99 A K T < 5 + 0 0 168 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.898 64.4 152.9 63.4 41.7 26.1 27.2 10.0 99 100 A G < - 0 0 6 -5,-2.7 -1,-0.2 -6,-0.1 -31,-0.1 -0.743 48.9 -95.0-100.2 153.3 23.7 27.4 13.0 100 101 A L E -d 68 0A 9 -33,-1.1 -31,-1.6 -2,-0.3 2,-0.4 -0.369 31.8-166.2 -68.0 139.6 24.5 29.1 16.3 101 102 A I E -de 69 151A 2 49,-2.3 51,-2.5 -33,-0.2 2,-0.4 -0.999 6.4-170.6-124.4 131.4 25.9 27.1 19.2 102 103 A A E +de 70 152A 0 -33,-2.7 -31,-2.7 -2,-0.4 2,-0.4 -0.985 7.5 173.5-127.9 130.1 25.8 28.8 22.7 103 104 A A E -de 71 153A 0 49,-2.4 51,-1.1 -2,-0.4 2,-0.4 -1.000 10.8-159.0-141.1 138.1 27.5 27.4 25.8 104 105 A I E > - e 0 154A 0 -33,-2.0 3,-1.9 -2,-0.4 2,-0.4 -0.939 53.6 -23.2-121.8 140.0 28.0 28.8 29.3 105 106 A C T 3 S- 0 0 15 49,-2.3 20,-2.0 -2,-0.4 23,-0.1 -0.610 135.6 -6.5 78.5-102.7 30.4 28.2 32.3 106 107 A A T > S+ 0 0 3 -2,-0.4 3,-2.1 18,-0.2 4,-0.4 0.542 118.2 93.5 -88.6 -7.6 31.9 24.6 32.0 107 108 A G T X S+ 0 0 0 -3,-1.9 3,-2.0 1,-0.3 4,-0.5 0.840 72.5 62.1 -47.2 -42.8 29.5 24.1 29.1 108 109 A P T >> S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 3,-1.1 0.737 86.1 74.6 -61.4 -20.2 32.0 25.1 26.4 109 110 A T H <> S+ 0 0 11 -3,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.762 87.2 62.7 -64.7 -20.4 34.3 22.2 27.4 110 111 A A H <> S+ 0 0 0 -3,-2.0 4,-1.6 -4,-0.4 -1,-0.3 0.788 97.0 57.3 -69.6 -29.2 31.8 20.0 25.6 111 112 A L H <4>S+ 0 0 0 -3,-1.1 5,-2.9 -4,-0.5 4,-0.4 0.922 107.1 48.5 -63.1 -43.7 32.7 21.9 22.4 112 113 A L H ><5S+ 0 0 32 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.947 109.2 52.3 -58.7 -49.2 36.3 20.9 23.0 113 114 A A H 3<5S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 115.9 40.2 -56.2 -36.8 35.3 17.2 23.6 114 115 A H T 3<5S- 0 0 1 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.284 111.6-117.8-100.2 8.4 33.4 17.2 20.3 115 116 A E T < 5 + 0 0 130 -3,-1.5 2,-0.5 -4,-0.4 3,-0.3 0.862 58.2 160.3 58.0 44.4 36.0 19.2 18.3 116 117 A I < - 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0 0 6 -19,-2.3 -17,-0.4 -2,-0.3 5,-0.1 -0.959 24.7-155.1-128.9 146.8 38.7 35.7 26.5 142 143 A E + 0 0 148 -2,-0.3 -19,-0.1 -19,-0.1 13,-0.1 0.242 56.4 126.5-101.0 8.0 37.7 37.2 29.8 143 144 A N - 0 0 96 1,-0.1 3,-0.1 -21,-0.1 -2,-0.1 -0.390 70.0-125.2 -62.5 148.6 34.7 39.0 28.4 144 145 A R S S+ 0 0 126 1,-0.2 11,-1.2 10,-0.1 2,-0.4 0.853 100.8 18.9 -66.4 -35.5 31.5 38.1 30.2 145 146 A V E S-F 154 0A 36 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.991 75.9-168.3-130.0 134.9 29.9 37.0 26.9 146 147 A E E -F 153 0A 27 7,-2.7 7,-2.7 -2,-0.4 2,-0.4 -0.976 4.9-177.7-123.2 134.2 32.1 36.2 23.9 147 148 A K E +F 152 0A 98 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.941 7.6 175.7-134.9 115.1 30.6 35.7 20.4 148 149 A D E > -F 151 0A 68 3,-2.5 3,-1.7 -2,-0.4 2,-0.2 -0.912 68.0 -70.0-118.4 91.6 32.9 34.7 17.6 149 150 A G T 3 S- 0 0 44 -2,-0.6 -1,-0.1 1,-0.3 -49,-0.0 -0.308 119.9 -1.0 60.1-119.8 30.5 34.3 14.7 150 151 A L T 3 S+ 0 0 79 -2,-0.2 -49,-2.3 -3,-0.1 2,-0.5 0.337 117.7 83.1 -90.6 11.7 28.4 31.2 15.4 151 152 A I E < -eF 101 148A 12 -3,-1.7 -3,-2.5 -51,-0.2 2,-0.5 -0.966 57.2-179.1-116.2 115.5 30.1 30.2 18.7 152 153 A L E +eF 102 147A 1 -51,-2.5 -49,-2.4 -2,-0.5 2,-0.3 -0.971 7.6 171.2-119.8 122.5 28.7 32.1 21.7 153 154 A T E -eF 103 146A 0 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.3 -0.856 9.8-177.1-131.7 163.6 30.1 31.5 25.1 154 155 A S E -eF 104 145A 0 -51,-1.1 -49,-2.3 -31,-0.4 -29,-0.2 -0.942 25.4-119.9-156.8 175.1 29.8 33.0 28.6 155 156 A R - 0 0 40 -11,-1.2 -10,-0.1 -2,-0.3 3,-0.1 0.784 60.0 -44.4-102.3 -35.6 31.3 32.5 32.1 156 157 A G S > S- 0 0 6 -12,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.989 71.6 -53.1-178.7-176.9 28.9 31.7 35.0 157 158 A P G > S+ 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.909 126.5 54.8 -49.0 -43.8 25.6 32.2 36.9 158 159 A G G 3 S+ 0 0 59 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.551 111.2 43.9 -73.3 -8.8 26.3 35.9 37.2 159 160 A T G <> S+ 0 0 5 -3,-2.1 4,-2.6 2,-0.1 -1,-0.3 0.272 84.9 99.7-108.6 8.2 26.7 36.3 33.4 160 161 A S H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.5 5,-0.2 0.821 79.6 50.9 -75.1 -29.2 23.7 34.1 32.5 161 162 A F H > S+ 0 0 74 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.938 112.9 47.3 -66.5 -43.9 21.3 37.0 31.8 162 163 A E H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.912 113.4 49.4 -60.2 -43.7 23.9 38.6 29.5 163 164 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.944 112.5 46.2 -57.5 -53.2 24.4 35.2 27.8 164 165 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 112.4 49.8 -61.7 -41.6 20.7 34.6 27.3 165 166 A L H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.827 106.7 56.4 -68.9 -28.5 20.1 38.2 26.0 166 167 A A H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.886 107.6 48.5 -67.4 -38.8 23.0 37.7 23.6 167 168 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.937 111.5 50.0 -62.0 -47.7 21.2 34.6 22.2 168 169 A V H X>S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 5,-0.7 0.932 111.3 48.8 -56.2 -46.0 18.0 36.7 21.9 169 170 A E H X5S+ 0 0 74 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.920 110.3 51.0 -62.1 -41.5 19.9 39.4 20.1 170 171 A A H <5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 123.0 29.8 -63.0 -38.5 21.5 37.0 17.7 171 172 A L H <5S+ 0 0 17 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.861 137.0 19.4 -89.5 -44.3 18.2 35.3 16.8 172 173 A N H <5S- 0 0 53 -4,-3.4 4,-0.4 -5,-0.3 -3,-0.2 0.440 107.5-109.1-113.7 -7.0 15.6 38.1 17.2 173 174 A G X< - 0 0 28 -4,-1.6 4,-2.1 -5,-0.7 -1,-0.2 -0.036 35.2 -70.2 98.7 164.7 17.6 41.3 17.0 174 175 A K H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 124.2 56.2 -62.1 -38.7 18.8 44.1 19.4 175 176 A E H > S+ 0 0 146 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 108.3 46.1 -67.4 -42.7 15.3 45.7 19.8 176 177 A V H > S+ 0 0 39 -4,-0.4 4,-2.5 1,-0.2 5,-0.3 0.932 112.2 52.5 -62.1 -43.6 13.7 42.5 21.0 177 178 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 110.0 47.9 -57.6 -43.9 16.6 41.9 23.4 178 179 A A H X S+ 0 0 61 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.886 111.5 50.1 -63.4 -40.2 16.2 45.4 24.8 179 180 A Q H < S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.3 45.7 -66.3 -40.5 12.4 44.9 25.3 180 181 A V H < S+ 0 0 15 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.862 110.8 55.5 -68.6 -36.1 12.9 41.6 27.0 181 182 A K H ><>S+ 0 0 102 -4,-2.2 3,-1.8 -5,-0.3 5,-0.5 0.883 94.0 66.5 -65.2 -41.4 15.7 43.0 29.2 182 183 A A G ><5S+ 0 0 78 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.904 98.6 48.8 -58.2 -45.8 13.8 46.0 30.7 183 184 A P G 3 5S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.594 97.5 74.2 -70.2 -7.7 11.2 44.0 32.8 184 185 A L G < 5S- 0 0 34 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.689 95.7-133.3 -77.5 -16.9 14.1 41.9 34.3 185 186 A V T < 5 + 0 0 137 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.1 0.931 38.4 174.7 63.8 47.2 15.4 44.6 36.6 186 187 A L < 0 0 61 -5,-0.5 -1,-0.2 -4,-0.2 -2,-0.0 -0.697 360.0 360.0 -87.7 144.7 19.1 44.1 35.6 187 188 A K 0 0 247 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.274 360.0 360.0 -67.2 360.0 21.5 46.6 37.0