==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-SEP-03 1UNF . COMPND 2 MOLECULE: IRON SUPEROXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIGNA UNGUICULATA; . AUTHOR I.G.MUNOZ,J.F.MORAN,M.BECANA,G.MONTOYA . 214 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.3 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 . 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 0 1 0 1 0 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 14 X K 0 0 179 0, 0.0 52,-0.1 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 -75.2 -29.6 41.3 28.1 2 15 X V - 0 0 56 50,-0.2 2,-0.9 1,-0.1 52,-0.2 0.392 360.0-116.3 -47.4 160.0 -33.1 42.7 27.5 3 16 X N S S+ 0 0 5 50,-1.6 49,-0.6 47,-0.3 50,-0.2 -0.351 70.8 115.6 -90.8 52.3 -36.4 41.9 29.1 4 17 X A S S- 0 0 61 -2,-0.9 2,-0.6 47,-0.1 48,-0.1 0.758 102.1 -22.7 -81.6-116.5 -38.5 40.4 26.2 5 18 X K S S+ 0 0 154 47,-0.0 -1,-0.1 -3,-0.0 2,-0.1 -0.645 92.8 179.9 -88.9 70.3 -39.3 36.9 26.7 6 19 X F - 0 0 27 -2,-0.6 2,-0.3 33,-0.1 -3,-0.1 -0.360 7.2-163.1 -54.3 135.5 -36.4 36.8 29.0 7 20 X E - 0 0 137 -2,-0.1 2,-0.2 36,-0.0 -3,-0.0 -0.946 30.7 -85.7-127.7 157.0 -35.8 33.4 30.6 8 21 X L - 0 0 19 -2,-0.3 28,-0.1 1,-0.1 23,-0.0 -0.423 43.7-133.5 -56.0 125.6 -33.8 32.3 33.6 9 22 X K - 0 0 83 -2,-0.2 -1,-0.1 1,-0.0 -3,-0.0 -0.720 19.1-128.4 -86.1 127.3 -30.2 31.6 32.5 10 23 X P - 0 0 79 0, 0.0 -1,-0.0 0, 0.0 75,-0.0 -0.310 30.9 -95.5 -68.4 161.1 -28.8 28.3 33.8 11 24 X P - 0 0 11 0, 0.0 75,-0.1 0, 0.0 4,-0.1 -0.335 40.6-105.3 -69.0 159.4 -25.5 28.3 35.7 12 25 X P S S+ 0 0 93 0, 0.0 74,-0.0 0, 0.0 -3,-0.0 0.119 101.8 44.1 -78.1 27.2 -22.5 27.5 33.5 13 26 X Y S S- 0 0 18 76,-0.1 5,-0.1 -2,-0.0 4,-0.0 -0.964 100.5 -79.0-157.9 160.7 -22.3 23.9 34.9 14 27 X P > - 0 0 87 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.231 48.1-107.0 -63.2 156.0 -24.7 21.1 35.8 15 28 X L T 3 S+ 0 0 46 1,-0.3 12,-0.3 2,-0.1 3,-0.3 0.722 124.9 46.8 -65.2 -18.2 -26.6 21.5 39.1 16 29 X N T > S+ 0 0 92 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.274 83.9 105.0 -97.4 15.6 -24.4 18.8 40.6 17 30 X G T < S+ 0 0 19 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.674 77.7 48.8 -69.6 -18.1 -21.3 20.5 39.2 18 31 X L T >> S+ 0 0 5 -3,-0.3 4,-2.0 4,-0.3 3,-1.2 0.365 90.2 168.4-109.6 5.1 -20.1 21.9 42.5 19 32 X E T <4 + 0 0 95 -3,-1.2 4,-0.1 1,-0.3 -3,-0.0 -0.341 57.0 14.7 -57.0 142.9 -20.4 18.7 44.7 20 33 X P T 34 S+ 0 0 116 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.982 128.3 49.1 -94.3 10.3 -19.5 18.1 47.3 21 34 X V T <4 S+ 0 0 27 -3,-1.2 2,-0.5 1,-0.3 -2,-0.2 0.891 124.8 21.8 -78.4 -43.9 -18.8 21.8 48.3 22 35 X M S < S- 0 0 2 -4,-2.0 -1,-0.3 -6,-0.1 -4,-0.3 -0.986 96.5-127.3-121.8 119.5 -22.1 23.3 47.2 23 36 X S > - 0 0 14 -2,-0.5 4,-2.2 -3,-0.2 5,-0.2 -0.210 11.2-123.6 -71.3 153.8 -24.8 20.6 47.0 24 37 X Q H > S+ 0 0 73 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.866 116.5 59.3 -54.6 -36.7 -27.0 19.8 44.1 25 38 X Q H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.930 103.8 49.3 -59.6 -48.6 -29.9 20.5 46.5 26 39 X T H > S+ 0 0 1 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.938 112.7 47.1 -57.3 -48.9 -28.6 24.0 47.1 27 40 X L H X>S+ 0 0 0 -4,-2.2 4,-2.1 -12,-0.3 5,-1.3 0.910 109.7 53.6 -55.6 -47.7 -28.4 24.6 43.4 28 41 X E H <5S+ 0 0 71 -4,-3.0 5,-0.2 3,-0.2 -2,-0.2 0.904 119.8 33.4 -60.0 -41.5 -31.9 23.2 42.8 29 42 X F H X>S+ 0 0 90 -4,-2.5 5,-2.3 3,-0.2 4,-1.8 0.958 122.1 45.0 -72.7 -50.0 -33.3 25.6 45.4 30 43 X H H <>S+ 0 0 0 -4,-3.6 5,-2.6 -5,-0.3 -3,-0.2 0.938 131.4 19.5 -70.5 -50.8 -31.1 28.6 44.9 31 44 X W T <>S+ 0 0 32 -4,-2.1 5,-1.8 -5,-0.3 -3,-0.2 0.928 129.6 45.5 -76.3 -54.5 -31.2 28.7 41.1 32 45 X G T 4 0 0 103 0, 0.0 3,-1.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 155.7 -44.4 48.7 31.1 49 63 X E T 3 + 0 0 85 1,-0.2 -3,-0.1 3,-0.0 0, 0.0 0.569 360.0 58.6 -65.1 -10.5 -42.0 51.5 30.3 50 64 X L T > S+ 0 0 37 -4,-0.2 3,-2.6 -5,-0.2 -47,-0.3 0.619 75.7 121.7 -95.0 -16.0 -39.3 49.1 31.4 51 65 X D T < S+ 0 0 98 -3,-1.1 -47,-0.1 -5,-0.4 3,-0.1 -0.238 83.5 9.4 -52.7 124.2 -40.3 46.4 28.8 52 66 X G T 3 S+ 0 0 35 -49,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.538 97.2 128.7 79.8 6.8 -37.3 45.6 26.6 53 67 X K < - 0 0 73 -3,-2.6 -50,-1.6 -50,-0.2 -1,-0.3 -0.504 67.2 -95.8 -82.7 162.7 -34.9 47.6 28.7 54 68 X S > - 0 0 20 -52,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.444 27.0-116.2 -78.1 157.8 -31.7 45.9 29.9 55 69 X L H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.932 117.7 48.6 -58.1 -45.8 -31.4 44.3 33.3 56 70 X E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 109.1 52.0 -67.4 -33.9 -28.7 46.8 34.3 57 71 X E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.954 110.2 48.2 -68.3 -44.0 -30.8 49.8 33.1 58 72 X I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.946 111.6 52.2 -57.4 -47.4 -33.8 48.6 35.1 59 73 X I H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.927 110.1 45.3 -53.4 -53.0 -31.5 48.2 38.1 60 74 X V H X S+ 0 0 78 -4,-2.3 4,-0.7 2,-0.2 5,-0.3 0.912 117.7 43.9 -64.4 -41.0 -29.9 51.7 38.0 61 75 X T H >< S+ 0 0 73 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.967 113.2 49.0 -66.5 -55.0 -33.2 53.5 37.5 62 76 X A H 3< S+ 0 0 3 -4,-2.6 7,-3.1 -5,-0.3 10,-0.2 0.750 97.1 71.0 -58.6 -24.7 -35.3 51.5 40.0 63 77 X Y H >< S- 0 0 50 -4,-1.5 3,-2.2 -5,-0.3 4,-0.3 0.909 79.7-171.1 -59.2 -39.2 -32.6 52.1 42.7 64 78 X N G X< - 0 0 70 -3,-1.1 3,-2.9 -4,-0.7 -3,-0.1 0.904 68.1 -55.4 49.9 55.9 -33.7 55.7 42.7 65 79 X K G 3 S- 0 0 207 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.615 111.2 -48.4 51.7 16.0 -30.9 57.0 44.9 66 80 X G G < S+ 0 0 41 -3,-2.2 2,-0.9 -4,-0.1 -1,-0.3 0.372 120.7 105.1 109.2 -4.0 -31.9 54.4 47.5 67 81 X D S < S- 0 0 120 -3,-2.9 -2,-0.1 -4,-0.3 -1,-0.1 -0.624 73.3-150.3-101.9 69.0 -35.7 55.2 47.4 68 82 X I - 0 0 68 -2,-0.9 -5,-0.2 1,-0.1 -4,-0.1 0.056 9.6-135.6 -63.8 146.9 -36.2 52.0 45.5 69 83 X L > - 0 0 76 -7,-3.1 3,-1.9 1,-0.1 4,-0.5 -0.513 36.5 -95.5 -89.9 163.5 -38.9 51.4 42.9 70 84 X P T 3> S+ 0 0 106 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.782 120.4 51.9 -54.8 -34.0 -40.9 48.1 42.9 71 85 X A H 3> S+ 0 0 7 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.644 88.3 85.5 -79.4 -11.3 -38.8 46.4 40.2 72 86 X F H <> S+ 0 0 0 -3,-1.9 4,-3.0 -10,-0.2 5,-0.4 0.944 86.9 47.6 -58.7 -53.2 -35.5 47.1 41.9 73 87 X N H > S+ 0 0 76 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.926 117.2 42.5 -56.6 -46.9 -35.4 44.1 44.2 74 88 X N H X S+ 0 0 25 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.916 116.8 45.7 -64.3 -46.6 -36.3 41.6 41.5 75 89 X A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.934 114.4 47.8 -64.9 -46.3 -34.0 43.1 38.8 76 90 X A H X S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.3 -1,-0.2 0.897 111.7 50.2 -64.2 -37.6 -31.0 43.4 41.0 77 91 X Q H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.4 5,-0.2 0.859 108.1 52.6 -73.2 -33.9 -31.4 39.9 42.4 78 92 X V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.960 114.9 42.4 -60.8 -48.1 -31.7 38.4 38.8 79 93 X W H X S+ 0 0 14 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.941 113.4 52.0 -63.9 -49.0 -28.4 40.2 37.9 80 94 X N H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.889 113.5 44.0 -54.3 -45.5 -26.7 39.3 41.2 81 95 X H H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.904 110.9 52.8 -72.6 -38.7 -27.5 35.6 40.9 82 96 X D H X S+ 0 0 18 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.953 114.9 44.1 -53.9 -46.9 -26.5 35.5 37.2 83 97 X F H X S+ 0 0 5 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.898 110.0 56.1 -65.7 -40.9 -23.2 37.0 38.3 84 98 X F H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.920 105.9 49.1 -58.8 -48.4 -22.9 34.7 41.3 85 99 X W H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.895 109.6 53.3 -60.3 -40.4 -23.2 31.5 39.1 86 100 X E H 3< S+ 0 0 63 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.689 98.7 67.4 -64.0 -22.3 -20.5 32.9 36.8 87 101 X C T << S+ 0 0 4 -4,-1.0 113,-3.2 -3,-0.9 2,-0.3 0.556 99.0 56.1 -76.1 -9.5 -18.3 33.5 39.8 88 102 X M B < +A 199 0A 4 -3,-1.3 111,-0.2 -4,-0.3 110,-0.1 -0.799 57.0 179.0-122.4 164.5 -17.8 29.8 40.5 89 103 X K > - 0 0 69 109,-2.0 3,-1.2 -2,-0.3 2,-0.1 -0.971 42.2 -90.5-154.2 155.0 -16.6 26.7 38.7 90 104 X P T 3 S+ 0 0 66 0, 0.0 -72,-0.1 0, 0.0 108,-0.1 -0.453 119.5 17.4 -57.3 130.5 -16.1 23.0 39.3 91 105 X G T 3 S+ 0 0 76 106,-0.2 107,-0.2 -2,-0.1 -73,-0.1 0.856 98.0 145.0 69.5 36.0 -12.5 22.7 40.5 92 106 X G < + 0 0 15 105,-1.3 108,-0.2 -3,-1.2 106,-0.2 0.098 19.5 77.6 -86.0-158.1 -12.3 26.4 41.4 93 107 X G + 0 0 13 106,-2.7 108,-0.3 101,-0.1 104,-0.2 -0.494 49.5 95.7 89.1-163.5 -10.5 27.9 44.2 94 108 X G S S- 0 0 45 102,-0.6 -1,-0.1 101,-0.2 105,-0.1 -0.335 81.9 -47.1 66.8-153.0 -6.7 28.6 44.5 95 109 X K - 0 0 144 1,-0.1 106,-0.1 -2,-0.1 6,-0.1 -0.799 49.1-116.0-115.9 151.7 -5.2 31.9 43.6 96 110 X P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.206 31.8-158.9 -72.1 176.8 -5.6 34.3 40.6 97 111 X S >> + 0 0 85 104,-0.1 4,-1.2 4,-0.0 3,-0.9 -0.825 45.0 24.2-142.1-178.1 -2.7 35.0 38.3 98 112 X G H 3> S- 0 0 44 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.141 120.9 -11.6 61.2-146.5 -1.6 37.6 35.8 99 113 X E H 3> S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.811 134.9 57.3 -66.1 -29.7 -2.9 41.2 35.9 100 114 X L H <> S+ 0 0 1 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.936 109.1 44.1 -65.7 -48.1 -5.6 40.3 38.5 101 115 X L H X S+ 0 0 40 -4,-1.2 4,-3.0 1,-0.2 5,-0.2 0.941 113.7 51.6 -60.2 -47.0 -3.1 38.9 41.0 102 116 X E H X S+ 0 0 124 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.894 111.9 46.0 -53.7 -45.6 -0.7 41.9 40.4 103 117 X L H X S+ 0 0 17 -4,-2.2 4,-2.9 2,-0.2 46,-0.2 0.880 112.0 51.2 -69.5 -39.0 -3.5 44.4 41.0 104 118 X I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.914 113.8 44.2 -65.5 -41.2 -4.7 42.5 44.1 105 119 X E H X S+ 0 0 88 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.929 113.2 52.6 -68.4 -41.9 -1.1 42.6 45.4 106 120 X R H < S+ 0 0 138 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 120.7 31.5 -54.7 -44.6 -0.8 46.2 44.4 107 121 X D H < S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.729 132.3 27.9 -93.7 -23.4 -4.0 47.2 46.3 108 122 X F H < S- 0 0 25 -4,-2.6 2,-0.7 -5,-0.2 -3,-0.2 0.423 97.7-121.1-116.7 -2.4 -4.1 44.8 49.2 109 123 X G S < S+ 0 0 53 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.1 -0.341 86.7 10.6 90.7 -47.5 -0.4 44.1 49.7 110 124 X S S > S- 0 0 37 -2,-0.7 4,-1.9 -6,-0.2 5,-0.1 -0.951 76.1-109.6-154.9 165.3 -0.9 40.4 49.2 111 125 X F H > S+ 0 0 16 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.913 118.6 54.4 -67.4 -43.1 -3.4 37.9 48.1 112 126 X E H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 107.2 50.0 -58.1 -43.2 -3.8 36.6 51.7 113 127 X K H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 112.0 47.9 -60.6 -43.3 -4.5 40.1 52.9 114 128 X F H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.939 110.1 52.8 -61.4 -46.3 -7.1 40.5 50.2 115 129 X L H X S+ 0 0 17 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.947 109.5 48.0 -53.5 -52.8 -8.7 37.1 51.1 116 130 X D H X S+ 0 0 95 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.898 113.1 48.4 -55.7 -43.0 -9.0 38.0 54.8 117 131 X E H X S+ 0 0 96 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.906 113.1 47.3 -64.8 -41.0 -10.6 41.4 53.9 118 132 X F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.945 113.1 48.3 -66.3 -47.7 -13.0 39.7 51.5 119 133 X K H X S+ 0 0 58 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.860 110.7 51.3 -57.8 -42.3 -14.0 37.0 54.0 120 134 X A H X S+ 0 0 52 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.887 110.6 48.8 -63.7 -41.8 -14.5 39.6 56.8 121 135 X A H X S+ 0 0 10 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.959 113.6 46.6 -59.0 -51.7 -16.8 41.6 54.5 122 136 X A H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.902 116.1 46.0 -55.8 -42.8 -18.7 38.5 53.6 123 137 X A H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.0 47.1 -72.3 -34.3 -18.9 37.4 57.3 124 138 X T H < S+ 0 0 80 -4,-2.2 2,-0.6 -5,-0.1 -1,-0.2 0.554 74.5 113.8 -96.5 -3.2 -20.0 40.8 58.8 125 139 X Q < - 0 0 25 -4,-1.2 2,-0.3 -3,-0.3 4,-0.1 -0.536 65.8-141.6 -64.1 112.9 -22.7 41.7 56.4 126 140 X F - 0 0 194 -2,-0.6 2,-0.2 2,-0.1 -2,-0.1 -0.610 61.4 -6.0 -88.3 139.9 -25.6 41.5 58.8 127 141 X G S S- 0 0 42 -2,-0.3 2,-0.2 28,-0.1 -2,-0.0 -0.556 119.8 -17.3 77.3-153.9 -28.9 40.1 57.5 128 142 X S S S+ 0 0 37 -2,-0.2 28,-2.8 47,-0.1 2,-0.3 -0.592 88.0 91.2 -86.8 151.5 -29.1 39.3 53.8 129 143 X G E -B 155 0B 0 26,-0.3 45,-2.7 -2,-0.2 46,-0.6 -0.997 56.5 -81.9 160.6-154.2 -26.7 40.6 51.2 130 144 X W E -BC 154 173B 0 24,-2.4 24,-2.5 -2,-0.3 2,-0.4 -0.926 16.3-139.6-142.6 151.0 -23.5 40.3 49.2 131 145 X A E -BC 153 172B 0 41,-2.0 41,-1.7 -2,-0.3 2,-0.3 -0.972 29.3-162.5-116.7 148.0 -19.8 40.8 49.4 132 146 X W E -BC 152 171B 0 20,-3.3 20,-2.0 -2,-0.4 2,-0.5 -0.925 30.4-158.5-129.3 144.9 -17.9 42.2 46.4 133 147 X L E +BC 151 170B 0 37,-2.1 36,-3.0 -2,-0.3 37,-1.9 -0.991 39.4 169.6-104.8 127.2 -14.6 42.7 44.8 134 148 X A E -BC 150 168B 0 16,-2.2 16,-2.6 -2,-0.5 2,-0.6 -0.967 38.0-121.1-136.6 153.8 -15.1 45.6 42.4 135 149 X Y E -BC 149 167B 8 32,-2.8 32,-2.7 -2,-0.3 2,-0.6 -0.881 27.3-148.3 -95.5 122.0 -12.8 47.8 40.4 136 150 X K E +BC 148 166B 63 12,-3.6 12,-1.9 -2,-0.6 11,-0.9 -0.833 31.2 154.2 -93.8 120.0 -13.3 51.4 41.4 137 151 X A > - 0 0 0 28,-2.2 3,-2.0 -2,-0.6 4,-0.4 -0.886 37.7-154.4-152.0 116.5 -12.8 53.9 38.5 138 152 X S G > S+ 0 0 72 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.826 95.8 67.9 -58.4 -34.8 -14.3 57.3 38.0 139 153 X K G 3 S+ 0 0 144 1,-0.2 -1,-0.3 76,-0.2 77,-0.1 0.678 91.3 66.4 -59.6 -14.8 -14.0 57.0 34.2 140 154 X L G < 0 0 43 -3,-2.0 -1,-0.2 25,-0.1 -2,-0.2 0.819 360.0 360.0 -72.9 -33.4 -16.7 54.3 34.5 141 155 X D < 0 0 151 -3,-1.3 -1,-0.1 -4,-0.4 -3,-0.0 -0.387 360.0 360.0 -68.6 360.0 -19.5 56.6 35.6 142 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 143 165 X A 0 0 131 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.0 -8.6 62.0 43.7 144 166 X D + 0 0 118 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.174 360.0 95.9 86.5 -15.3 -6.2 59.4 42.0 145 167 X E + 0 0 129 3,-0.0 2,-0.2 -8,-0.0 -8,-0.1 -0.745 62.8 103.8-131.0 89.6 -7.3 56.5 44.1 146 168 X D + 0 0 24 -10,-0.3 -9,-0.2 -2,-0.3 3,-0.1 -0.307 50.1 54.7 82.6 117.4 -9.2 55.7 41.8 147 169 X N S S+ 0 0 57 -11,-0.9 2,-0.3 1,-0.2 -10,-0.2 0.954 87.9 112.4 53.9 58.6 -8.6 52.9 39.4 148 170 X K E S-B 136 0B 67 -12,-1.9 -12,-3.6 -41,-0.0 2,-0.3 -0.986 70.7 -93.3-156.6 156.5 -8.2 50.3 42.0 149 171 X L E -B 135 0B 3 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.551 39.0-176.0 -72.7 137.8 -9.7 47.2 43.6 150 172 X V E -B 134 0B 28 -16,-2.6 -16,-2.2 -2,-0.3 2,-0.5 -0.971 23.1-137.0-131.4 148.4 -12.1 47.6 46.6 151 173 X V E +B 133 0B 21 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.928 33.1 174.1 -98.6 131.7 -13.9 45.1 48.9 152 174 X I E -B 132 0B 31 -20,-2.0 -20,-3.3 -2,-0.5 2,-0.4 -0.991 21.8-153.3-136.6 141.3 -17.5 46.1 49.5 153 175 X K E -B 131 0B 87 -2,-0.3 -22,-0.2 -22,-0.2 -31,-0.1 -0.892 16.8-170.0-112.5 149.4 -20.4 44.5 51.3 154 176 X S E -B 130 0B 0 -24,-2.5 -24,-2.4 -2,-0.4 2,-0.3 -0.974 18.5-117.7-137.3 147.5 -24.0 45.4 50.4 155 177 X P E > -B 129 0B 62 0, 0.0 3,-1.9 0, 0.0 -26,-0.3 -0.625 67.7 -32.7 -84.3 147.5 -27.4 44.7 51.9 156 178 X N T 3 S- 0 0 87 -28,-2.8 19,-0.1 -2,-0.3 -2,-0.1 -0.252 126.6 -13.7 61.9-114.9 -30.2 42.7 50.4 157 179 X A T 3 S+ 0 0 2 -2,-0.1 -1,-0.3 -29,-0.1 -77,-0.2 0.470 97.6 126.8-103.3 -5.3 -30.3 43.1 46.5 158 180 X V < + 0 0 18 -3,-1.9 -28,-0.1 2,-0.1 -4,-0.1 -0.240 33.6 177.9 -61.9 138.4 -27.9 46.1 46.3 159 181 X N > - 0 0 0 -6,-0.0 3,-1.9 -27,-0.0 4,-0.3 -0.890 45.3 -99.4-137.5 164.5 -25.0 45.8 43.9 160 182 X P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.687 109.2 79.3 -64.6 -12.6 -22.1 48.0 42.9 161 183 X L G 3 S+ 0 0 38 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.779 88.2 57.6 -59.8 -25.3 -24.0 48.9 39.6 162 184 X V G < S+ 0 0 16 -3,-1.9 -1,-0.2 1,-0.2 -97,-0.1 0.625 108.0 44.7 -84.3 -7.7 -26.1 51.4 41.6 163 185 X W S < S- 0 0 94 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.907 98.0-151.9 -71.0 -48.1 -23.2 53.5 42.9 164 186 X G + 0 0 28 -4,-0.4 -23,-0.1 -3,-0.2 3,-0.1 0.822 67.3 72.2-104.1-141.0 -21.5 53.7 40.3 165 187 X G S S+ 0 0 11 1,-0.3 -28,-2.2 -25,-0.1 2,-0.4 0.573 86.5 108.9 82.6 19.2 -18.0 54.2 39.2 166 188 X Y E -C 136 0B 64 -6,-0.3 -1,-0.3 -30,-0.2 -30,-0.2 -0.998 55.5-160.2-130.6 134.0 -17.6 50.5 40.3 167 189 X Y E -C 135 0B 37 -32,-2.7 -32,-2.8 -2,-0.4 2,-0.1 -0.948 24.0-129.9-112.8 113.6 -17.3 47.5 38.1 168 190 X P E +C 134 0B 1 0, 0.0 -34,-0.3 0, 0.0 3,-0.1 -0.406 34.0 166.4 -63.4 133.2 -18.2 44.3 39.9 169 191 X L E + 0 0 2 -36,-3.0 2,-0.3 1,-0.4 38,-0.2 0.680 64.2 7.9-114.7 -37.3 -15.5 41.6 39.6 170 192 X L E -C 133 0B 0 -37,-1.9 -37,-2.1 37,-0.1 -1,-0.4 -0.991 61.2-175.4-150.4 141.3 -16.5 38.9 42.2 171 193 X T E -C 132 0B 0 -2,-0.3 2,-0.4 -39,-0.2 -39,-0.2 -0.983 13.1-161.7-137.8 153.2 -19.4 38.3 44.5 172 194 X I E -C 131 0B 0 -41,-1.7 -41,-2.0 -2,-0.3 2,-0.5 -0.993 24.3-132.9-126.6 128.1 -20.4 35.9 47.2 173 195 X D E -C 130 0B 0 -2,-0.4 -43,-0.2 -43,-0.2 -2,-0.0 -0.704 22.9-179.3 -76.8 121.8 -24.1 35.6 48.1 174 196 X V + 0 0 0 -45,-2.7 -44,-0.2 -2,-0.5 -1,-0.1 0.266 38.2 124.1-112.2 11.5 -24.5 35.7 51.9 175 197 X W S > S- 0 0 51 -46,-0.6 3,-1.7 -47,-0.2 4,-0.4 -0.459 75.7-116.2 -50.8 140.3 -28.3 35.4 52.0 176 198 X E G >> S+ 0 0 113 1,-0.3 4,-3.0 2,-0.2 3,-1.5 0.833 112.4 65.2 -59.9 -33.1 -28.9 32.4 54.3 177 199 X H G 34 S+ 0 0 36 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.780 91.3 65.4 -60.2 -24.6 -30.5 30.4 51.4 178 200 X A G <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.753 126.3 5.8 -64.8 -26.7 -27.1 30.4 49.6 179 201 X Y T X>>S+ 0 0 5 -3,-1.5 4,-3.4 -4,-0.4 3,-1.0 0.508 97.3 99.4-134.0 -12.3 -25.6 28.3 52.3 180 202 X Y H 3X5S+ 0 0 107 -4,-3.0 4,-1.3 1,-0.3 -3,-0.1 0.851 85.7 51.1 -62.6 -36.4 -28.1 27.2 54.9 181 203 X L H 345S+ 0 0 75 -4,-0.3 -1,-0.3 -5,-0.2 -4,-0.1 0.807 123.2 31.2 -66.4 -27.4 -28.6 23.6 53.5 182 204 X D H <45S+ 0 0 37 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.791 140.7 11.2-100.1 -35.0 -24.9 23.0 53.4 183 205 X F H ><5S- 0 0 20 -4,-3.4 3,-2.4 1,-0.2 -3,-0.2 0.427 76.0-165.2-125.6 -10.5 -23.5 25.0 56.4 184 206 X Q T 3< + 0 0 98 -3,-2.4 4,-2.0 1,-0.2 3,-0.3 -0.334 37.4 153.9 -83.7 65.1 -21.6 28.5 59.8 187 209 X R H > S+ 0 0 25 -2,-2.5 4,-2.4 1,-0.2 5,-0.2 0.844 70.4 56.8 -60.5 -40.4 -21.4 31.4 57.3 188 210 X P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.922 107.2 48.9 -57.8 -40.7 -17.7 31.9 57.8 189 211 X D H > S+ 0 0 75 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.941 110.9 50.8 -63.6 -46.1 -17.0 28.2 56.8 190 212 X Y H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.908 111.1 47.5 -49.8 -48.8 -19.2 28.6 53.8 191 213 X I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 112.2 50.7 -63.5 -39.8 -17.2 31.8 52.7 192 214 X S H X S+ 0 0 43 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.930 112.2 45.1 -64.9 -44.5 -13.9 30.0 53.3 193 215 X V H X>S+ 0 0 36 -4,-2.5 4,-2.4 2,-0.2 5,-0.8 0.846 108.7 58.2 -68.2 -37.8 -14.9 27.0 51.2 194 216 X F H X>S+ 0 0 0 -4,-2.3 5,-2.1 -5,-0.2 4,-1.5 0.942 113.5 38.5 -55.8 -49.4 -16.3 29.3 48.5 195 217 X M H <5S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.854 119.9 46.3 -72.6 -34.3 -12.9 31.0 48.2 196 218 X D H <5S+ 0 0 93 -4,-2.3 -102,-0.6 -103,-0.2 -2,-0.2 0.787 133.6 7.4 -78.2 -28.2 -10.9 27.7 48.6 197 219 X K H <5S+ 0 0 102 -4,-2.4 -105,-1.3 -104,-0.2 -3,-0.2 0.647 127.2 40.2-130.6 -23.5 -12.9 25.5 46.2 198 220 X L T < - 0 0 10 -113,-3.2 4,-1.7 -108,-0.2 3,-0.3 -0.847 15.3-176.0 -97.6 99.7 -13.5 31.0 39.3 201 223 X W H > S+ 0 0 14 -2,-0.9 4,-2.7 -108,-0.3 5,-0.2 0.817 83.9 63.3 -65.1 -27.4 -10.5 33.3 39.0 202 224 X D H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 104.0 47.9 -58.2 -43.9 -10.8 33.1 35.2 203 225 X A H > S+ 0 0 25 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.926 111.9 48.0 -62.9 -44.6 -14.2 34.7 35.5 204 226 X V H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.882 110.4 52.7 -65.0 -40.4 -12.9 37.5 37.7 205 227 X S H X S+ 0 0 27 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.877 106.9 52.5 -63.2 -40.2 -10.0 38.1 35.4 206 228 X S H X S+ 0 0 56 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.899 110.0 48.3 -62.1 -41.7 -12.3 38.4 32.4 207 229 X R H X S+ 0 0 51 -4,-1.7 4,-3.3 -38,-0.2 -2,-0.2 0.901 107.6 55.5 -65.2 -42.2 -14.3 41.0 34.3 208 230 X L H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.869 106.6 50.8 -58.4 -39.2 -11.2 42.9 35.2 209 231 X E H X S+ 0 0 130 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.887 112.6 46.0 -63.4 -41.8 -10.2 43.2 31.5 210 232 X Q H X S+ 0 0 75 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.934 112.7 51.4 -64.9 -44.2 -13.7 44.5 30.7 211 233 X A H X S+ 0 0 0 -4,-3.3 4,-1.0 1,-0.2 -2,-0.2 0.905 111.7 45.4 -61.6 -43.5 -13.4 46.9 33.7 212 234 X K H >X S+ 0 0 81 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.918 112.6 51.6 -66.7 -42.6 -10.0 48.2 32.6 213 235 X A H >< S+ 0 0 74 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.907 111.0 48.6 -60.0 -43.1 -11.2 48.6 29.0 214 236 X L H 3< S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.678 115.1 42.5 -71.4 -19.3 -14.3 50.6 30.1 215 237 X S H << 0 0 6 -4,-1.0 -76,-0.2 -3,-0.5 -1,-0.2 0.316 360.0 360.0-115.5 7.4 -12.4 53.0 32.4 216 238 X A << 0 0 110 -3,-0.7 -1,-0.1 -4,-0.6 -2,-0.1 0.887 360.0 360.0 -62.5 360.0 -9.4 53.7 30.1