==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 22-OCT-08 3EZG . COMPND 2 MOLECULE: PROTEIN DJ-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LAKSHMINARASIMHAN,M.A.WILSON . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 74.3 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 29.4 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 0 2 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 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.7 8.1 -32.7 0.6 2 3 A S - 0 0 71 1,-0.1 28,-0.1 28,-0.0 2,-0.1 -0.695 360.0-120.4 -95.6 147.8 9.7 -32.2 -2.8 3 4 A K - 0 0 79 -2,-0.3 28,-2.6 26,-0.1 2,-0.4 -0.382 26.9-134.0 -80.7 171.5 13.2 -30.9 -3.4 4 5 A R E -a 31 0A 57 26,-0.2 63,-1.5 -2,-0.1 64,-1.2 -0.978 13.1-161.3-134.5 139.5 13.8 -27.8 -5.3 5 6 A A E -ab 32 68A 0 26,-2.4 28,-2.8 -2,-0.4 2,-0.5 -0.978 6.7-155.9-124.9 138.2 16.2 -26.8 -8.1 6 7 A L E -ab 33 69A 2 62,-2.4 64,-3.1 -2,-0.4 2,-0.6 -0.961 10.1-168.8-107.8 120.8 17.4 -23.4 -9.3 7 8 A V E -ab 34 70A 0 26,-2.8 28,-2.9 -2,-0.5 2,-0.6 -0.954 13.5-146.9-111.5 118.3 18.6 -23.3 -12.9 8 9 A I E -a 35 0A 1 62,-2.2 2,-0.6 -2,-0.6 28,-0.2 -0.791 13.4-163.2 -95.9 117.1 20.4 -20.0 -13.8 9 10 A L E +a 36 0A 0 26,-2.9 28,-2.2 -2,-0.6 29,-0.4 -0.899 12.7 173.3-111.5 111.1 19.8 -19.1 -17.4 10 11 A A > - 0 0 3 -2,-0.6 3,-2.1 26,-0.2 67,-0.1 -0.825 44.2 -81.9-114.0 153.9 22.1 -16.4 -19.0 11 12 A K T 3 S+ 0 0 121 -2,-0.3 69,-0.3 1,-0.3 34,-0.2 -0.239 118.2 26.3 -50.9 133.4 22.4 -15.2 -22.6 12 13 A G T 3 S+ 0 0 7 32,-2.3 65,-1.5 1,-0.3 64,-0.4 0.489 85.6 150.4 82.8 7.3 24.6 -17.6 -24.6 13 14 A A < - 0 0 3 -3,-2.1 33,-3.1 63,-0.2 2,-0.8 -0.340 60.0-101.9 -62.3 150.1 23.8 -20.6 -22.4 14 15 A E > - 0 0 8 59,-2.0 4,-0.6 31,-0.2 3,-0.5 -0.657 32.3-152.8 -73.5 111.9 23.9 -24.0 -24.1 15 16 A E H >> S+ 0 0 12 -2,-0.8 4,-2.9 1,-0.2 3,-0.6 0.819 91.5 55.5 -63.4 -33.2 20.2 -24.6 -24.6 16 17 A M H 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 107.3 51.1 -64.3 -36.8 20.5 -28.5 -24.5 17 18 A Q H 34 S+ 0 0 0 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.538 114.0 45.2 -78.2 -6.6 22.3 -28.1 -21.1 18 19 A T H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.925 116.2 49.6 -64.5 -39.0 18.3 -30.9 -16.8 22 23 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 115.8 42.6 -60.0 -49.1 15.1 -29.0 -16.3 23 24 A D H X S+ 0 0 76 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.954 116.4 46.3 -65.7 -50.7 13.0 -31.6 -18.1 24 25 A V H X S+ 0 0 2 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.897 112.9 50.5 -61.5 -40.2 14.6 -34.6 -16.4 25 26 A M H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.3 3,-0.3 0.917 110.0 49.8 -63.2 -40.5 14.4 -33.0 -13.0 26 27 A R H ><5S+ 0 0 111 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.903 106.3 56.0 -63.8 -36.9 10.7 -32.2 -13.5 27 28 A R H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 104.4 55.0 -60.1 -30.6 10.2 -35.9 -14.5 28 29 A A T 3<5S- 0 0 10 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.378 122.7-108.3 -81.0 0.4 11.7 -36.7 -11.1 29 30 A G T < 5 + 0 0 42 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.623 69.8 147.3 77.2 14.7 9.2 -34.5 -9.3 30 31 A I < - 0 0 5 -5,-2.3 2,-0.9 -6,-0.2 -1,-0.3 -0.603 53.7-123.5 -76.6 141.3 11.7 -31.9 -8.4 31 32 A K E -a 4 0A 130 -28,-2.6 -26,-2.4 -2,-0.3 2,-0.4 -0.794 37.0-165.6 -87.3 107.6 10.2 -28.3 -8.3 32 33 A V E -a 5 0A 12 -2,-0.9 2,-0.5 -28,-0.2 -26,-0.2 -0.832 15.0-163.6-103.4 132.1 12.5 -26.5 -10.8 33 34 A T E -a 6 0A 32 -28,-2.8 -26,-2.8 -2,-0.4 2,-0.8 -0.972 8.9-153.9-114.5 119.8 12.7 -22.7 -11.3 34 35 A V E -a 7 0A 9 -2,-0.5 20,-1.8 -28,-0.2 21,-1.4 -0.838 22.8-165.9 -88.2 109.5 14.3 -21.5 -14.5 35 36 A A E -ac 8 55A 0 -28,-2.9 -26,-2.9 -2,-0.8 2,-0.5 -0.896 14.7-134.7-110.0 128.0 15.7 -18.1 -13.4 36 37 A G E > -ac 9 56A 0 19,-2.6 21,-2.5 -2,-0.5 3,-0.9 -0.661 4.3-151.7 -85.6 124.7 16.9 -15.5 -15.8 37 38 A L T 3 S+ 0 0 41 -28,-2.2 -1,-0.2 -2,-0.5 -27,-0.1 0.901 96.3 40.5 -52.3 -48.7 20.1 -13.8 -14.9 38 39 A A T 3 S- 0 0 107 -29,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.456 126.0 -77.1 -88.1 -0.3 19.2 -10.6 -16.7 39 40 A G < - 0 0 22 -3,-0.9 -1,-0.2 16,-0.2 -3,-0.2 -0.923 67.6 -47.1 138.4-169.4 15.6 -10.4 -15.7 40 41 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 16,-0.1 3,-0.1 0.531 96.3 111.3 -76.0 -13.9 12.2 -11.9 -16.6 41 42 A D S S- 0 0 119 1,-0.1 -3,-0.1 11,-0.1 -2,-0.1 -0.215 80.0 -81.9 -71.7 158.8 12.8 -11.5 -20.3 42 43 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.236 43.9-133.6 -58.3 149.5 13.4 -14.2 -22.9 43 44 A V E -G 51 0B 13 8,-2.9 8,-2.2 -3,-0.1 2,-0.7 -0.933 2.4-142.8-114.2 124.6 16.9 -15.6 -23.2 44 45 A Q E -G 50 0B 83 -2,-0.5 -32,-2.3 6,-0.2 6,-0.2 -0.776 26.5-152.1 -85.5 110.5 18.7 -16.1 -26.4 45 46 A C > - 0 0 3 4,-3.0 3,-2.2 -2,-0.7 -31,-0.2 -0.152 31.5 -88.0 -81.5 176.0 20.8 -19.3 -26.1 46 47 A S T 3 S+ 0 0 39 -33,-3.1 -32,-0.1 1,-0.3 -1,-0.1 0.790 128.3 38.2 -57.6 -36.5 24.0 -20.2 -27.8 47 48 A R T 3 S- 0 0 175 -34,-0.3 -1,-0.3 2,-0.1 3,-0.1 -0.056 124.3 -98.8-108.7 30.8 22.4 -21.8 -30.8 48 49 A D S < S+ 0 0 105 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.424 73.8 145.2 72.0 5.9 19.6 -19.2 -30.9 49 50 A V - 0 0 72 -5,-0.1 -4,-3.0 1,-0.0 2,-0.6 -0.585 42.5-142.8 -65.5 136.1 16.9 -21.2 -29.2 50 51 A V E -G 44 0B 88 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.935 18.4-171.5-111.4 120.2 14.9 -18.6 -27.1 51 52 A I E -G 43 0B 31 -8,-2.2 -8,-2.9 -2,-0.6 -42,-0.0 -0.928 17.8-140.0-114.6 135.2 13.7 -19.7 -23.7 52 53 A C - 0 0 92 -2,-0.4 -11,-0.1 -10,-0.2 -18,-0.1 -0.830 25.8-134.3 -91.5 116.5 11.3 -17.8 -21.4 53 54 A P - 0 0 16 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.265 8.8-128.7 -68.9 158.5 12.4 -18.1 -17.8 54 55 A D S S- 0 0 87 -20,-1.8 2,-0.3 1,-0.2 -19,-0.2 0.790 85.1 -14.2 -68.4 -33.3 10.0 -18.8 -15.0 55 56 A A E S-c 35 0A 25 -21,-1.4 -19,-2.6 -16,-0.1 -1,-0.2 -0.968 77.5 -87.7-160.7 162.5 11.2 -15.9 -13.0 56 57 A S E > -c 36 0A 9 -2,-0.3 4,-2.7 -21,-0.2 5,-0.2 -0.464 41.0-116.5 -70.8 156.9 14.0 -13.4 -12.7 57 58 A L H > S+ 0 0 6 -21,-2.5 4,-2.6 2,-0.2 5,-0.2 0.888 115.9 58.7 -60.7 -39.5 17.0 -14.5 -10.6 58 59 A E H > S+ 0 0 134 -22,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.940 111.4 39.7 -55.2 -46.6 16.2 -11.6 -8.2 59 60 A D H > S+ 0 0 66 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.921 113.0 54.7 -72.0 -40.7 12.8 -13.0 -7.6 60 61 A A H >< S+ 0 0 2 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.867 102.0 58.4 -61.5 -36.7 13.8 -16.7 -7.5 61 62 A K H >< S+ 0 0 67 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.923 99.0 58.2 -62.4 -36.6 16.4 -16.0 -4.9 62 63 A K H 3< S+ 0 0 151 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.718 105.0 53.2 -65.2 -16.2 13.7 -14.7 -2.5 63 64 A E T << S+ 0 0 130 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.386 106.1 107.0-102.7 6.9 12.0 -18.0 -2.9 64 65 A G < + 0 0 29 -3,-2.1 2,-0.1 -4,-0.2 -3,-0.1 0.098 24.5 121.9 -81.8-168.0 15.0 -20.2 -1.9 65 66 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.563 54.3-158.2 -77.9 172.7 17.0 -21.9 -0.6 66 67 A Y - 0 0 10 -2,-0.1 -61,-0.2 1,-0.1 3,-0.1 -0.856 25.8-131.9-116.0 148.4 17.2 -24.6 -3.2 67 68 A D S S+ 0 0 48 -63,-1.5 33,-1.0 -2,-0.3 2,-0.3 0.755 97.0 16.8 -72.0 -22.7 18.5 -28.2 -2.8 68 69 A V E -bd 5 100A 0 -64,-1.2 -62,-2.4 31,-0.1 2,-0.5 -0.982 61.4-154.6-148.6 142.6 20.6 -27.7 -6.0 69 70 A V E -bd 6 101A 2 31,-1.6 33,-2.8 -2,-0.3 2,-0.5 -0.985 23.1-157.4-110.3 125.3 21.8 -24.7 -8.0 70 71 A V E -bd 7 102A 0 -64,-3.1 -62,-2.2 -2,-0.5 33,-0.2 -0.921 10.3-166.3-113.5 128.0 22.5 -25.7 -11.6 71 72 A L E - d 0 103A 0 31,-2.7 33,-2.0 -2,-0.5 36,-0.1 -0.924 11.8-153.5-113.2 105.7 24.8 -23.9 -14.0 72 73 A P - 0 0 2 0, 0.0 -54,-0.1 0, 0.0 -57,-0.1 -0.247 16.7-126.9 -62.5 166.1 24.5 -24.8 -17.7 73 74 A G + 0 0 1 -59,-0.2 -59,-2.0 33,-0.1 32,-0.1 0.161 49.9 129.5 -94.9-145.0 27.4 -24.3 -20.0 74 75 A G > - 0 0 2 -61,-0.3 4,-2.9 3,-0.1 5,-0.2 0.382 65.1-111.8 85.6 123.5 28.0 -22.6 -23.3 75 76 A N H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 115.3 43.9 -59.3 -43.1 31.0 -20.4 -23.1 76 77 A L H > S+ 0 0 120 -64,-0.4 4,-2.3 2,-0.2 -63,-0.2 0.897 114.7 49.7 -72.7 -35.6 29.2 -17.0 -23.3 77 78 A G H > S+ 0 0 1 -65,-1.5 4,-2.5 2,-0.2 -64,-0.2 0.941 111.4 49.6 -61.7 -46.3 26.5 -18.2 -20.8 78 79 A A H X S+ 0 0 1 -4,-2.9 4,-2.3 -66,-0.3 -2,-0.2 0.887 109.6 51.6 -62.2 -38.0 29.2 -19.3 -18.4 79 80 A Q H X S+ 0 0 79 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.920 108.6 50.7 -65.2 -41.7 31.1 -16.0 -18.8 80 81 A N H X S+ 0 0 54 -4,-2.3 4,-0.6 -69,-0.3 3,-0.3 0.916 111.6 48.1 -62.8 -40.3 27.9 -14.1 -18.0 81 82 A L H >< S+ 0 0 3 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.906 111.0 52.2 -60.9 -40.8 27.4 -16.3 -14.9 82 83 A S H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.744 109.2 48.9 -66.7 -27.2 31.0 -15.7 -13.9 83 84 A E H 3< S+ 0 0 133 -4,-1.6 2,-0.5 -3,-0.3 -1,-0.2 0.492 89.3 102.9 -92.5 -5.6 30.6 -11.9 -14.2 84 85 A S S+ 0 0 79 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.843 95.5 58.1 -63.5 -33.3 27.7 -10.5 -8.5 86 87 A A H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 106.2 47.3 -64.6 -41.1 24.2 -12.0 -8.0 87 88 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.911 108.8 55.7 -65.8 -41.3 25.5 -15.5 -9.0 88 89 A K H X S+ 0 0 82 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.940 109.7 45.9 -52.7 -48.4 28.5 -15.0 -6.7 89 90 A E H X S+ 0 0 100 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.915 112.9 49.2 -66.3 -44.0 26.2 -14.4 -3.7 90 91 A I H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 114.8 44.3 -62.1 -43.8 23.8 -17.3 -4.6 91 92 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.913 113.1 50.4 -69.7 -41.4 26.7 -19.8 -5.0 92 93 A K H X S+ 0 0 64 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.943 112.9 47.0 -57.6 -49.6 28.5 -18.6 -1.8 93 94 A E H X S+ 0 0 89 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.894 112.0 50.5 -61.2 -41.2 25.3 -18.9 0.2 94 95 A Q H <>S+ 0 0 7 -4,-2.2 5,-2.8 -5,-0.2 4,-0.3 0.932 112.8 46.0 -63.8 -45.5 24.7 -22.4 -1.3 95 96 A E H ><5S+ 0 0 68 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.935 110.4 54.2 -59.4 -44.1 28.2 -23.5 -0.4 96 97 A N H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.8 46.4 -62.2 -33.9 27.8 -22.0 3.1 97 98 A R T 3<5S- 0 0 112 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.361 116.3-113.0 -91.9 6.6 24.6 -24.0 3.8 98 99 A K T < 5 + 0 0 168 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.883 63.9 153.2 64.3 42.5 26.2 -27.2 2.5 99 100 A G < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 -31,-0.1 -0.771 48.7 -94.3-103.7 154.2 23.9 -27.4 -0.5 100 101 A L E -d 68 0A 10 -33,-1.0 -31,-1.6 -2,-0.3 2,-0.4 -0.327 32.4-166.5 -66.5 139.3 24.6 -29.1 -3.9 101 102 A I E -de 69 151A 2 49,-2.3 51,-2.6 -33,-0.2 2,-0.4 -0.999 6.1-170.5-124.9 131.7 26.0 -27.1 -6.8 102 103 A A E +de 70 152A 0 -33,-2.8 -31,-2.7 -2,-0.4 2,-0.3 -0.985 7.7 172.9-127.5 132.1 25.9 -28.7 -10.3 103 104 A A E -de 71 153A 0 49,-2.4 51,-1.4 -2,-0.4 2,-0.4 -1.000 10.7-158.9-144.2 141.9 27.6 -27.4 -13.4 104 105 A I E > - e 0 154A 0 -33,-2.0 3,-2.5 -2,-0.3 2,-0.5 -0.934 54.1 -23.0-128.4 143.6 28.2 -28.7 -16.9 105 106 A X T 3 S- 0 0 16 49,-2.3 20,-1.6 -2,-0.4 4,-0.1 -0.510 136.1 -6.1 71.8-110.7 30.6 -28.1 -19.9 106 107 A A T > S+ 0 0 2 -2,-0.5 3,-2.0 18,-0.2 4,-0.4 0.579 116.9 92.7 -86.2 -12.9 31.9 -24.5 -19.4 107 108 A G T X> S+ 0 0 0 -3,-2.5 3,-1.9 1,-0.3 4,-0.5 0.846 73.9 63.0 -49.3 -40.0 29.6 -24.0 -16.4 108 109 A P H >> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.768 87.3 72.7 -62.2 -20.5 32.2 -25.1 -13.9 109 110 A T H <> S+ 0 0 11 -3,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.770 88.3 61.9 -66.6 -19.4 34.4 -22.2 -14.8 110 111 A A H <> S+ 0 0 0 -3,-1.9 4,-1.8 -4,-0.4 -1,-0.3 0.802 97.7 57.3 -69.9 -30.0 31.9 -19.9 -13.0 111 112 A L H <<>S+ 0 0 1 -3,-1.0 5,-2.8 -4,-0.5 4,-0.4 0.929 107.5 48.2 -61.6 -44.3 32.8 -21.9 -9.9 112 113 A L H ><5S+ 0 0 32 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.954 109.8 51.6 -58.6 -51.1 36.4 -20.8 -10.5 113 114 A A H 3<5S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.849 116.2 40.0 -56.2 -37.3 35.4 -17.2 -11.0 114 115 A H T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.282 111.6-117.6 -99.6 10.0 33.5 -17.1 -7.8 115 116 A E T < 5 + 0 0 124 -3,-1.6 2,-0.4 -4,-0.4 3,-0.3 0.866 58.7 158.8 57.4 44.9 36.1 -19.2 -5.8 116 117 A I < - 0 0 0 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.813 55.5 -1.9-102.7 131.1 33.5 -22.0 -5.1 117 118 A G S > S+ 0 0 7 -2,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.685 73.8 179.7 73.2 21.4 34.5 -25.5 -4.2 118 119 A F T 3 + 0 0 72 -3,-0.3 20,-0.2 1,-0.2 -1,-0.2 -0.268 67.8 37.2 -57.5 143.1 38.3 -25.2 -4.4 119 120 A G T 3 S+ 0 0 64 18,-2.8 -1,-0.2 1,-0.4 2,-0.2 0.364 93.4 122.7 92.9 -1.1 40.0 -28.5 -3.5 120 121 A S < - 0 0 16 -3,-1.6 19,-2.1 17,-0.2 2,-0.4 -0.582 68.4-112.1 -87.9 155.1 37.3 -30.6 -5.3 121 122 A K E +h 139 0C 73 17,-0.2 2,-0.3 -2,-0.2 27,-0.2 -0.720 49.4 171.8 -76.2 127.4 37.6 -33.1 -8.1 122 123 A V E -h 140 0C 0 17,-2.6 19,-2.0 -2,-0.4 2,-0.3 -0.965 24.9-157.3-139.7 154.8 35.9 -31.6 -11.2 123 124 A T + 0 0 0 -2,-0.3 31,-0.3 17,-0.2 2,-0.3 -0.852 15.1 171.0-120.9 168.1 35.3 -32.2 -14.9 124 125 A T - 0 0 0 17,-0.4 -18,-0.2 -2,-0.3 31,-0.2 -0.909 50.8 -59.8-150.6 179.7 34.5 -29.8 -17.7 125 126 A H >> - 0 0 56 -20,-1.6 3,-2.0 -2,-0.3 4,-0.6 -0.474 57.5-114.2 -58.8 144.3 34.2 -29.8 -21.4 126 127 A P G >4 S+ 0 0 72 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.865 118.0 54.8 -49.6 -39.6 37.7 -30.8 -22.7 127 128 A L G 34 S+ 0 0 158 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.638 106.9 51.0 -73.5 -13.3 38.0 -27.3 -24.3 128 129 A A G <> S+ 0 0 6 -3,-2.0 4,-2.4 1,-0.1 -1,-0.3 0.390 83.1 94.9 -97.8 -2.2 37.3 -25.6 -20.9 129 130 A K H 4 S+ 0 0 113 -4,-0.2 3,-1.3 1,-0.2 -1,-0.2 0.955 114.1 47.0 -62.8 -48.5 40.5 -22.2 -18.0 132 133 A M H 3< S+ 0 0 0 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.837 112.4 51.0 -60.4 -36.0 39.1 -24.3 -15.1 133 134 A M T >< S+ 0 0 51 -4,-2.4 3,-2.4 -5,-0.2 2,-0.3 0.393 73.8 130.5 -87.8 1.4 42.6 -25.4 -14.1 134 135 A N T < S+ 0 0 122 -3,-1.3 3,-0.3 -4,-0.4 -3,-0.0 -0.428 84.9 9.9 -61.3 117.1 44.2 -22.0 -14.0 135 136 A G T 3 S- 0 0 56 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.238 109.5-102.3 94.8 -10.9 45.9 -21.8 -10.6 136 137 A G S < S+ 0 0 53 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.1 0.810 74.1 143.4 67.1 33.8 45.5 -25.6 -9.9 137 138 A H + 0 0 82 -3,-0.3 -18,-2.8 -5,-0.2 2,-0.3 0.618 64.7 36.5 -83.1 -14.3 42.6 -24.9 -7.4 138 139 A Y S S- 0 0 5 -20,-0.2 2,-0.4 -19,-0.2 -17,-0.2 -0.860 81.4-120.1-126.9 163.5 40.7 -28.1 -8.5 139 140 A T E -h 121 0C 90 -19,-2.1 -17,-2.6 -2,-0.3 2,-0.2 -0.913 36.2-125.0-108.2 131.9 41.9 -31.6 -9.5 140 141 A Y E -h 122 0C 33 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.542 25.2-171.8 -86.7 148.9 40.7 -32.6 -13.0 141 142 A S - 0 0 7 -19,-2.0 -17,-0.4 -2,-0.2 5,-0.1 -0.972 23.4-155.5-131.8 144.3 38.7 -35.6 -14.0 142 143 A E + 0 0 146 -2,-0.3 -19,-0.1 -19,-0.1 2,-0.1 0.239 55.8 126.0 -99.6 8.3 37.8 -37.1 -17.3 143 144 A N - 0 0 84 1,-0.1 3,-0.1 -21,-0.1 -2,-0.1 -0.390 69.8-125.2 -65.1 148.9 34.7 -38.9 -15.9 144 145 A R S S+ 0 0 123 1,-0.2 11,-1.2 10,-0.1 2,-0.4 0.865 101.8 18.6 -64.9 -35.3 31.6 -38.0 -17.8 145 146 A V E S-F 154 0A 37 9,-0.2 2,-0.4 10,-0.1 -1,-0.2 -0.993 76.8-167.9-129.0 134.2 30.0 -37.0 -14.5 146 147 A E E -F 153 0A 20 7,-2.7 7,-2.7 -2,-0.4 2,-0.4 -0.971 4.7-177.2-120.7 134.9 32.2 -36.1 -11.5 147 148 A K E +F 152 0A 99 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.940 9.3 175.4-134.9 116.9 30.7 -35.7 -8.0 148 149 A D E > -F 151 0A 74 3,-2.6 3,-1.6 -2,-0.4 2,-0.2 -0.892 68.2 -72.4-119.2 88.9 33.0 -34.7 -5.1 149 150 A G T 3 S+ 0 0 45 -2,-0.7 -1,-0.1 1,-0.3 -49,-0.0 -0.341 119.4 1.0 58.6-120.2 30.5 -34.4 -2.3 150 151 A L T 3 S+ 0 0 80 -2,-0.2 -49,-2.3 -3,-0.1 2,-0.5 0.338 118.0 81.5 -88.1 9.6 28.5 -31.2 -3.0 151 152 A I E < +eF 101 148A 11 -3,-1.6 -3,-2.6 -51,-0.2 2,-0.5 -0.963 58.0 179.9-117.0 113.6 30.2 -30.2 -6.2 152 153 A L E +eF 102 147A 1 -51,-2.6 -49,-2.4 -2,-0.5 2,-0.3 -0.967 7.3 173.8-119.2 120.3 28.8 -32.1 -9.2 153 154 A T E -eF 103 146A 0 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.3 -0.846 9.8-176.3-129.0 163.3 30.2 -31.5 -12.7 154 155 A S E -eF 104 145A 0 -51,-1.4 -49,-2.3 -31,-0.3 -9,-0.2 -0.943 23.4-123.1-156.2 173.7 29.9 -32.8 -16.2 155 156 A R - 0 0 40 -11,-1.2 -10,-0.1 -2,-0.3 -1,-0.1 0.822 59.5 -34.4-100.8 -41.6 31.4 -32.4 -19.7 156 157 A G S > S- 0 0 7 -12,-0.2 3,-2.0 -31,-0.1 4,-0.4 -0.969 71.8 -60.9-168.4-177.4 29.1 -31.5 -22.6 157 158 A P G > S+ 0 0 43 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.922 126.4 55.0 -49.3 -44.7 25.8 -31.8 -24.5 158 159 A G G 3 S+ 0 0 59 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.481 107.4 48.7 -73.6 -6.0 26.3 -35.5 -24.8 159 160 A T G <> S+ 0 0 5 -3,-2.0 4,-2.5 2,-0.1 -1,-0.3 0.271 82.0 100.8-108.6 7.7 26.7 -36.0 -21.0 160 161 A S H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.4 5,-0.2 0.829 79.4 49.7 -67.1 -35.9 23.6 -33.9 -20.1 161 162 A F H > S+ 0 0 74 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.932 113.4 46.8 -66.1 -44.7 21.3 -36.9 -19.4 162 163 A E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.896 113.4 50.0 -60.1 -43.4 23.9 -38.5 -17.2 163 164 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.942 112.3 46.2 -57.2 -51.8 24.4 -35.1 -15.4 164 165 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.907 112.7 49.2 -62.2 -42.7 20.7 -34.6 -14.9 165 166 A L H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.824 107.4 55.6 -68.8 -29.3 20.2 -38.2 -13.6 166 167 A A H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.888 108.2 48.5 -66.8 -38.7 23.1 -37.7 -11.2 167 168 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.3 0.940 111.4 50.2 -62.7 -46.5 21.4 -34.7 -9.8 168 169 A V H X>S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.6 0.923 111.2 48.9 -56.9 -46.7 18.1 -36.7 -9.5 169 170 A E H X5S+ 0 0 70 -4,-2.6 4,-1.6 3,-0.2 -1,-0.2 0.914 110.2 51.2 -61.3 -42.1 20.0 -39.5 -7.7 170 171 A A H <5S+ 0 0 45 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.869 122.7 30.0 -61.4 -37.8 21.6 -37.0 -5.3 171 172 A L H <5S+ 0 0 17 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.889 137.2 18.9 -90.3 -42.0 18.3 -35.4 -4.4 172 173 A N H <5S- 0 0 54 -4,-3.2 4,-0.4 -5,-0.3 -3,-0.2 0.458 107.3-109.7-115.6 -6.6 15.7 -38.2 -4.7 173 174 A G X< - 0 0 29 -4,-1.6 4,-2.1 -5,-0.6 -1,-0.2 -0.055 35.1 -68.7 97.2 163.4 17.8 -41.4 -4.6 174 175 A K H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 123.6 54.2 -61.6 -38.7 18.9 -44.2 -7.0 175 176 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 109.2 47.9 -72.1 -37.0 15.5 -45.8 -7.5 176 177 A V H > S+ 0 0 40 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.942 111.9 51.2 -62.3 -43.6 13.8 -42.6 -8.6 177 178 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.918 111.4 47.5 -57.5 -43.2 16.7 -42.0 -10.9 178 179 A A H X S+ 0 0 45 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.885 111.8 49.9 -64.6 -41.6 16.3 -45.5 -12.4 179 180 A Q H < S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.3 45.5 -64.4 -41.2 12.5 -45.0 -12.8 180 181 A V H < S+ 0 0 16 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.865 110.7 56.0 -68.0 -36.8 13.0 -41.7 -14.6 181 182 A K H ><>S+ 0 0 100 -4,-2.2 3,-1.8 -5,-0.3 5,-0.5 0.887 94.1 65.3 -64.9 -42.2 15.7 -43.1 -16.8 182 183 A A G ><5S+ 0 0 77 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.905 99.7 48.6 -56.9 -47.9 13.8 -46.0 -18.3 183 184 A P G 3 5S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.560 97.9 73.1 -70.5 -5.3 11.2 -44.0 -20.3 184 185 A L G < 5S- 0 0 33 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.697 96.9-133.2 -77.2 -22.0 13.9 -41.9 -21.7 185 186 A V T < 5 + 0 0 134 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.1 0.941 40.3 170.9 64.9 49.0 15.2 -44.6 -24.1 186 187 A L < 0 0 61 -5,-0.5 -1,-0.1 -4,-0.2 -2,-0.0 -0.450 360.0 360.0 -80.8 157.1 18.9 -44.1 -23.1 187 188 A K 0 0 257 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.130 360.0 360.0 -87.0 360.0 21.3 -46.7 -24.5