==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 04-MAR-05 1Z1N . COMPND 2 MOLECULE: SIXTEEN HEME CYTOCHROME; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR T.SANTOS-SILVA,J.M.DIAS,M.J.ROMAO . 516 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 60.1 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 . 33 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 43 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 3 1 2 1 0 1 1 1 0 2 0 1 1 1 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 . 4 4 2 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 . 4 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 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 11 X P 0 0 164 0, 0.0 2,-1.0 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 3.8 13.5 35.4 3.5 2 12 X K > - 0 0 30 102,-0.3 3,-2.7 1,-0.2 104,-1.8 -0.701 360.0-179.6-109.2 87.0 13.9 32.3 1.3 3 13 X V T 3 S+ 0 0 16 -2,-1.0 104,-0.4 103,-0.3 -1,-0.2 0.721 84.3 59.0 -56.8 -25.0 16.0 29.6 3.1 4 14 X D T 3 S+ 0 0 19 102,-0.1 22,-1.8 2,-0.1 2,-0.4 0.541 79.4 113.3 -80.6 -9.7 15.6 27.3 0.1 5 15 X A E < -A 25 0A 4 -3,-2.7 2,-0.5 20,-0.2 102,-0.2 -0.506 48.1-169.5 -66.6 121.2 17.3 29.9 -2.2 6 16 X I E -A 24 0A 49 18,-2.9 18,-1.9 -2,-0.4 2,-1.2 -0.963 15.5-147.1-112.1 122.3 20.6 28.7 -3.5 7 17 X V - 0 0 30 -2,-0.5 2,-1.0 16,-0.2 16,-0.2 -0.754 16.1-153.6 -87.2 98.2 22.9 31.1 -5.2 8 18 X I + 0 0 35 -2,-1.2 14,-0.8 1,-0.2 3,-0.1 -0.642 41.0 141.7 -73.8 103.4 24.6 28.9 -7.7 9 19 X D > + 0 0 93 -2,-1.0 3,-2.4 12,-0.1 4,-0.3 -0.006 16.0 136.6-127.3 29.5 28.0 30.6 -8.4 10 20 X T G > + 0 0 33 1,-0.3 3,-1.0 2,-0.1 -1,-0.1 0.844 68.5 57.4 -43.4 -45.5 30.0 27.5 -8.6 11 21 X A G > S+ 0 0 18 1,-0.2 3,-0.8 2,-0.1 -1,-0.3 0.209 76.5 89.0 -78.3 15.0 31.9 28.9 -11.7 12 22 X A G X + 0 0 44 -3,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.643 67.4 82.0 -87.9 -6.2 33.3 32.1 -10.1 13 23 X V G < S+ 0 0 118 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.670 87.0 60.6 -62.3 -16.5 36.4 30.2 -9.0 14 24 X F G < S- 0 0 86 -3,-0.8 -1,-0.3 1,-0.4 2,-0.2 0.451 121.8 -96.2 -89.3 -1.3 37.4 30.8 -12.6 15 25 X G S < S+ 0 0 38 -3,-2.2 -1,-0.4 -4,-0.0 0, 0.0 -0.737 78.3 7.0 116.1-171.8 37.3 34.6 -12.2 16 26 X K S S- 0 0 193 -2,-0.2 2,-0.1 -3,-0.1 -3,-0.0 -0.043 73.9-118.3 -46.8 140.3 34.7 37.4 -12.9 17 27 X L - 0 0 71 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.475 9.5-151.9 -76.4 153.2 31.3 36.2 -14.0 18 28 X E S S+ 0 0 157 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.834 77.0 45.1 -87.9 -41.6 29.9 37.2 -17.4 19 29 X Q S S- 0 0 85 1,-0.1 3,-0.1 82,-0.0 -2,-0.1 -0.596 93.0 -89.2-105.4 157.2 26.3 37.1 -16.3 20 30 X P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.266 66.7 -84.6 -41.6 145.3 24.0 38.2 -13.4 21 31 X G - 0 0 17 78,-0.1 80,-2.0 79,-0.1 79,-0.5 -0.237 36.1-122.1 -67.1 147.3 23.8 35.4 -10.7 22 32 X V B -B 99 0B 35 -14,-0.8 2,-0.2 77,-0.2 77,-0.2 -0.532 19.0-165.1 -76.8 152.8 21.6 32.4 -10.8 23 33 X V - 0 0 16 75,-0.7 2,-0.2 -16,-0.2 -16,-0.2 -0.727 7.0-165.9-143.1 93.6 19.1 31.8 -7.9 24 34 X F E -A 6 0A 53 -18,-1.9 -18,-2.9 -2,-0.2 2,-0.7 -0.560 12.9-142.1 -80.4 135.2 17.7 28.3 -7.8 25 35 X Y E > -A 5 0A 84 -2,-0.2 4,-1.6 -20,-0.2 -20,-0.2 -0.890 10.5-166.3-107.1 108.1 14.7 27.7 -5.5 26 36 X H H > S+ 0 0 41 -22,-1.8 4,-2.3 -2,-0.7 -1,-0.1 0.774 83.0 50.7 -70.4 -29.7 15.0 24.3 -3.9 27 37 X E H > S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.912 103.2 56.1 -79.3 -42.7 11.4 24.0 -2.7 28 38 X K H > S+ 0 0 141 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.939 117.2 41.2 -47.8 -47.8 9.6 24.9 -6.0 29 39 X H H X S+ 0 0 63 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.881 114.0 47.7 -68.4 -44.7 11.6 22.0 -7.3 30 40 X T H X S+ 0 0 35 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.899 114.3 49.4 -71.5 -36.5 11.3 19.5 -4.4 31 41 X T H X S+ 0 0 88 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.969 114.5 44.3 -57.9 -57.4 7.6 20.2 -4.3 32 42 X A H X S+ 0 0 19 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.871 116.4 45.9 -51.4 -47.9 7.2 19.7 -8.1 33 43 X L H <>S+ 0 0 30 -4,-2.8 5,-2.4 2,-0.2 -1,-0.2 0.806 108.0 54.3 -75.7 -30.9 9.4 16.5 -8.2 34 44 X E H ><5S+ 0 0 120 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.782 105.8 56.6 -73.9 -27.7 7.8 14.8 -5.2 35 45 X K H 3<5S+ 0 0 149 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.961 101.0 55.4 -56.5 -54.7 4.5 15.3 -7.1 36 46 X M T 3<5S- 0 0 67 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.293 119.8-112.1 -67.8 14.8 5.9 13.4 -10.1 37 47 X A T < 5S+ 0 0 84 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.872 76.9 137.2 49.7 40.6 6.7 10.5 -7.7 38 48 X K < - 0 0 109 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.981 40.3-152.3-120.2 124.5 10.4 11.3 -8.3 39 49 X D > - 0 0 84 -2,-0.4 3,-1.2 -3,-0.1 4,-0.1 0.137 40.2 -75.6 -83.8-162.7 12.9 11.4 -5.4 40 50 X C G >> S+ 0 0 53 1,-0.3 3,-2.7 2,-0.2 4,-1.1 0.776 117.6 76.0 -70.1 -29.8 16.2 13.2 -4.8 41 51 X T G 34 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.611 75.9 80.3 -61.5 -13.3 18.2 11.0 -7.2 42 52 X S G <4 S+ 0 0 53 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.731 116.9 10.8 -55.6 -30.0 16.5 13.0 -10.0 43 53 X C T <4 S+ 0 0 38 -3,-2.7 13,-3.0 1,-0.2 2,-0.4 0.417 123.3 65.2-131.3 -3.9 19.1 15.6 -9.3 44 54 X H S < S- 0 0 24 -4,-1.1 2,-0.2 11,-0.2 -1,-0.2 -0.988 75.7-122.9-134.8 124.2 21.7 14.0 -7.0 45 55 X V - 0 0 51 -2,-0.4 7,-2.3 12,-0.4 2,-0.6 -0.437 22.6-150.8 -63.3 127.4 24.0 11.2 -7.7 46 56 X E E -C 51 0C 101 5,-0.2 2,-0.6 -2,-0.2 5,-0.3 -0.926 12.4-174.0-103.7 116.8 23.6 8.3 -5.2 47 57 X T E > S-C 50 0C 78 3,-3.1 3,-0.9 -2,-0.6 -2,-0.0 -0.892 73.5 -29.3-116.3 98.2 26.8 6.4 -4.6 48 58 X E T 3 S- 0 0 194 -2,-0.6 2,-0.7 1,-0.3 -1,-0.2 0.943 126.1 -44.8 61.8 54.5 26.2 3.3 -2.4 49 59 X G T 3 S+ 0 0 34 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 -0.225 119.8 105.5 85.5 -45.8 23.3 4.9 -0.5 50 60 X K E < -C 47 0C 103 -3,-0.9 -3,-3.1 -2,-0.7 2,-0.2 -0.562 59.8-149.3 -76.9 119.9 25.0 8.2 0.0 51 61 X L E -C 46 0C 10 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.560 8.3-135.4 -73.2 147.9 23.8 11.1 -2.2 52 62 X S - 0 0 29 -7,-2.3 4,-0.2 -2,-0.2 5,-0.1 -0.831 6.1-148.2 -90.9 144.8 26.1 13.9 -3.3 53 63 X F + 0 0 72 -2,-0.4 2,-0.2 -9,-0.1 5,-0.1 0.274 67.8 109.0-104.8 9.6 24.5 17.4 -2.9 54 64 X K S S- 0 0 74 3,-0.3 2,-0.7 -9,-0.1 3,-0.4 -0.522 88.4 -97.7 -60.4 144.9 26.4 18.6 -5.9 55 65 X F S S- 0 0 49 1,-0.2 -11,-0.2 -2,-0.2 19,-0.1 -0.719 85.1 -32.5 -77.6 111.6 23.9 19.1 -8.7 56 66 X A S S+ 0 0 27 -13,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.807 123.9 66.7 55.2 44.4 23.8 16.1 -11.1 57 67 X R - 0 0 20 -3,-0.4 -12,-0.4 -14,-0.2 -3,-0.3 -0.961 62.9-146.1-176.9 160.6 27.5 15.2 -10.8 58 68 X T S S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.628 87.4 46.8-113.3 -24.1 30.1 13.9 -8.3 59 69 X V S S- 0 0 105 -5,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.816 80.9-122.2-114.3 149.1 33.1 15.9 -9.5 60 70 X D - 0 0 54 -2,-0.3 7,-0.1 -3,-0.1 -3,-0.0 -0.831 36.0-113.8 -84.1 127.8 33.4 19.6 -10.4 61 71 X P - 0 0 25 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 -0.328 19.0-132.0 -54.0 150.3 34.6 20.2 -14.0 62 72 X T S S+ 0 0 141 5,-0.0 2,-0.3 4,-0.0 3,-0.1 0.403 82.1 50.9 -99.3 -5.2 38.0 21.8 -14.4 63 73 X S S > S- 0 0 55 1,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.963 79.7-124.3-126.7 151.3 37.4 24.6 -16.9 64 74 X K H > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 0.943 112.3 61.1 -49.1 -55.6 34.7 27.2 -16.9 65 75 X N H > S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.875 109.3 39.3 -29.1 -60.3 33.7 26.0 -20.3 66 76 X A H > S+ 0 0 37 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 115.5 50.0 -74.6 -42.0 32.8 22.5 -19.0 67 77 X M H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 3,-0.3 0.970 112.8 45.4 -59.7 -59.6 31.2 23.5 -15.7 68 78 X A H X S+ 0 0 34 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.816 114.8 49.4 -56.7 -33.1 28.8 26.1 -17.3 69 79 X E H X S+ 0 0 129 -4,-1.4 4,-2.3 -5,-0.4 -1,-0.2 0.843 109.1 51.5 -75.1 -35.9 27.9 23.6 -20.0 70 80 X Q H X S+ 0 0 55 -4,-1.9 4,-2.1 -3,-0.3 5,-0.3 0.821 111.3 49.4 -66.6 -32.2 27.3 20.9 -17.5 71 81 X Y H X S+ 0 0 34 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 1.000 113.5 43.2 -71.0 -63.8 25.0 23.3 -15.7 72 82 X H H X S+ 0 0 100 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.872 116.2 51.2 -38.8 -49.3 23.0 24.4 -18.7 73 83 X A H X S+ 0 0 51 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.982 114.7 37.3 -62.6 -56.7 22.8 20.8 -19.9 74 84 X N H X S+ 0 0 59 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.820 118.0 51.9 -73.1 -28.6 21.6 19.1 -16.8 75 85 X C H >X S+ 0 0 45 -4,-2.8 4,-1.3 -5,-0.3 3,-0.7 0.992 117.0 35.4 -63.2 -64.2 19.3 22.0 -15.9 76 86 X M H 3X S+ 0 0 31 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.600 103.6 74.1 -74.4 -14.5 17.5 22.3 -19.2 77 87 X A H 3X S+ 0 0 48 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.907 103.2 39.9 -60.8 -46.4 17.5 18.6 -19.9 78 88 X C H << S+ 0 0 43 -4,-0.9 4,-0.4 -3,-0.7 3,-0.2 0.910 111.9 55.8 -72.6 -43.6 14.8 18.0 -17.3 79 89 X H H >X S+ 0 0 28 -4,-1.3 3,-1.9 1,-0.2 4,-0.7 0.953 106.1 53.5 -45.5 -54.8 12.9 21.2 -18.3 80 90 X E H >< S+ 0 0 131 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.869 108.3 50.0 -49.2 -39.7 12.8 19.8 -21.9 81 91 X K T 3< S+ 0 0 177 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.411 112.1 45.2 -89.7 8.1 11.3 16.5 -20.6 82 92 X V T <> S+ 0 0 16 -3,-1.9 4,-4.4 -4,-0.4 -1,-0.2 0.232 70.7 116.5-130.6 7.5 8.4 18.1 -18.5 83 93 X V T << S+ 0 0 73 -4,-0.7 -2,-0.1 -3,-0.6 6,-0.1 0.820 77.5 56.4 -38.9 -39.7 7.3 20.6 -21.1 84 94 X G T 4 S+ 0 0 72 -4,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.980 118.7 28.8 -58.5 -61.8 4.0 18.7 -21.1 85 95 X S T 4 S+ 0 0 88 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.1 0.924 137.9 25.9 -65.2 -51.6 3.4 19.1 -17.3 86 96 X Y >< + 0 0 75 -4,-4.4 3,-0.8 -7,-0.2 -1,-0.3 -0.857 61.6 165.5-124.5 94.2 5.3 22.4 -16.9 87 97 X P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 77.6 65.2 -78.1 -21.5 5.3 24.4 -20.3 88 98 X T T 3 S+ 0 0 100 -3,-0.1 -5,-0.1 2,-0.1 3,-0.1 0.241 71.2 126.3 -82.2 5.4 6.4 27.5 -18.3 89 99 X A S < S- 0 0 11 -3,-0.8 -7,-0.0 -10,-0.2 -3,-0.0 -0.602 75.4 -99.0 -74.0 121.0 9.7 25.8 -17.5 90 100 X P - 0 0 21 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 -0.071 39.0-161.2 -53.0 136.9 12.6 28.2 -18.6 91 101 X Q - 0 0 51 -12,-0.1 -11,-0.1 -3,-0.1 4,-0.0 0.792 35.0 -87.7-106.3 -35.6 14.0 27.2 -21.9 92 102 X A S S+ 0 0 68 0, 0.0 6,-0.1 0, 0.0 -16,-0.0 -0.253 116.8 54.4 160.5 -54.9 17.5 28.5 -22.9 93 103 X A S S+ 0 0 98 1,-0.2 2,-1.8 2,-0.0 3,-0.2 0.537 87.6 96.4 -73.3 -6.6 17.4 31.8 -24.6 94 104 X E >> + 0 0 83 1,-0.2 3,-0.8 2,-0.1 4,-0.7 -0.549 49.5 162.5 -86.6 72.2 15.5 32.8 -21.5 95 105 X C H >> + 0 0 64 -2,-1.8 4,-3.1 1,-0.2 3,-0.6 0.839 66.8 52.4 -63.0 -42.0 18.5 34.2 -19.8 96 106 X K H 34 S+ 0 0 151 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.582 95.0 69.3 -75.2 -16.3 16.7 36.2 -17.1 97 107 X R H <4 S+ 0 0 128 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.842 121.7 16.5 -71.1 -32.4 14.6 33.3 -15.9 98 108 X C H << S+ 0 0 52 -4,-0.7 2,-2.0 -3,-0.6 -75,-0.7 0.817 123.8 57.0-101.7 -52.7 17.8 31.8 -14.5 99 109 X H B < +B 22 0B 40 -4,-3.1 -77,-0.2 1,-0.2 -1,-0.2 -0.519 63.5 154.2 -80.4 78.7 20.3 34.7 -14.4 100 110 X V - 0 0 73 -2,-2.0 -1,-0.2 -79,-0.5 -78,-0.2 0.449 45.2-131.9 -88.9 -4.6 18.0 36.8 -12.2 101 111 X G + 0 0 13 -80,-2.0 -1,-0.2 -3,-0.2 2,-0.1 -0.754 65.0 31.6 101.0-136.2 20.9 38.8 -10.7 102 112 X P - 0 0 131 0, 0.0 2,-0.3 0, 0.0 -79,-0.0 -0.356 67.6-178.7 -66.2 139.8 21.5 39.6 -6.9 103 113 X G - 0 0 40 -2,-0.1 2,-0.4 -81,-0.1 -96,-0.1 -0.940 25.9-148.2-139.6 159.1 20.3 37.1 -4.4 104 114 X V - 0 0 89 -2,-0.3 2,-0.8 -102,-0.1 -102,-0.3 -0.995 19.3-139.2-125.3 123.1 20.1 36.3 -0.7 105 115 X E > - 0 0 40 -2,-0.4 3,-2.4 1,-0.2 4,-0.3 -0.749 16.9-146.2 -77.5 109.3 20.3 32.7 0.6 106 116 X G G >> S+ 0 0 2 -104,-1.8 3,-2.8 -2,-0.8 4,-2.0 0.889 95.6 60.8 -42.4 -52.3 17.5 32.8 3.3 107 117 X A G 34 S+ 0 0 20 -104,-0.4 -1,-0.3 -105,-0.3 -104,-0.1 0.666 93.1 65.9 -51.2 -24.1 19.5 30.3 5.5 108 118 X T G <4 S+ 0 0 87 -3,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.578 113.7 31.9 -71.6 -10.6 22.4 32.9 5.6 109 119 X V T <4 S+ 0 0 114 -3,-2.8 -2,-0.2 -4,-0.3 -1,-0.1 0.748 104.7 76.7-119.7 -43.4 20.0 35.2 7.6 110 120 X T S < S- 0 0 29 -4,-2.0 2,-0.3 1,-0.1 106,-0.1 -0.075 102.0 -77.2 -55.6 164.7 17.8 32.8 9.5 111 121 X P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.619 55.0 -97.5 -80.1 141.9 19.4 31.2 12.6 112 122 X K - 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0 0 12 -3,-2.6 4,-2.3 1,-0.2 5,-0.2 -0.860 63.1-161.1-109.2 108.7 17.7 35.6 34.8 438 450 X P H > S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.835 96.6 56.7 -51.0 -35.5 20.5 34.4 37.1 439 451 X M H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.912 108.7 45.1 -60.8 -51.0 22.7 37.0 35.1 440 452 X A H > S+ 0 0 12 -6,-0.3 4,-2.7 1,-0.2 5,-0.4 0.937 113.4 49.8 -56.0 -49.4 20.4 39.9 36.0 441 453 X N H X S+ 0 0 51 -4,-2.3 4,-0.7 -7,-0.4 -1,-0.2 0.846 115.8 43.3 -62.5 -35.9 20.1 38.8 39.6 442 454 X H H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.942 118.9 39.5 -72.2 -51.7 23.9 38.6 39.9 443 455 X F H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.712 103.7 68.0 -80.4 -26.3 24.9 41.8 38.1 444 456 X H H < S+ 0 0 39 -4,-2.7 2,-0.5 -5,-0.3 -1,-0.2 0.900 73.4 171.0 -55.6 -42.8 22.1 43.9 39.5 445 457 X G < + 0 0 38 -4,-0.7 -51,-0.5 -5,-0.4 -1,-0.2 -0.569 49.9 49.4 83.6-115.1 23.8 43.6 42.9 446 458 X D S > S- 0 0 109 -2,-0.5 3,-1.6 -3,-0.2 4,-0.5 -0.102 81.9-122.5 -66.2 145.3 21.9 46.0 45.0 447 459 X A T 3 S+ 0 0 23 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.842 111.9 57.7 -55.4 -33.6 18.0 46.3 45.3 448 460 X L T 3> S+ 0 0 32 1,-0.2 4,-1.0 2,-0.1 3,-0.5 0.665 84.5 85.2 -74.0 -16.0 18.3 50.0 44.1 449 461 X T T X4 S+ 0 0 46 -3,-1.6 3,-1.4 1,-0.2 4,-0.3 0.933 84.8 50.6 -56.3 -47.5 20.0 49.1 40.9 450 462 X M G >4 S+ 0 0 46 -4,-0.5 3,-1.7 -3,-0.4 4,-0.3 0.848 101.2 64.3 -57.9 -32.7 17.0 48.4 38.8 451 463 X C G >> S+ 0 0 29 -3,-0.5 4,-2.1 -4,-0.4 3,-1.7 0.882 93.5 64.9 -53.4 -39.2 15.5 51.7 39.9 452 464 X S G << S+ 0 0 33 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.509 78.3 81.2 -68.0 -9.5 18.5 53.3 38.0 453 465 X G G <4 S+ 0 0 18 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.761 116.2 14.2 -69.5 -21.9 17.3 52.1 34.7 454 466 X C T <4 S+ 0 0 55 -3,-1.7 2,-2.0 -4,-0.3 -2,-0.2 0.700 130.1 53.1-109.5 -52.1 14.9 55.0 34.8 455 467 X H S < S+ 0 0 59 -4,-2.1 3,-0.3 -5,-0.1 6,-0.1 -0.446 87.4 158.2 -81.0 69.4 16.4 57.1 37.6 456 468 X H + 0 0 86 -2,-2.0 -3,-0.1 1,-0.2 3,-0.1 -0.116 37.0 37.4 -94.9 174.7 19.8 57.1 36.1 457 469 X N S S+ 0 0 149 -5,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.709 99.5 79.5 60.8 30.2 23.0 59.3 36.4 458 470 X A S S- 0 0 45 -3,-0.3 -1,-0.1 -6,-0.1 3,-0.1 -0.943 96.5 -72.8-152.0 163.1 22.6 60.0 40.1 459 471 X K - 0 0 186 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.465 63.3 -99.5 -53.8 127.8 23.4 58.1 43.3 460 472 X P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.192 59.1 162.2 -49.8 136.9 20.9 55.2 43.7 461 473 X S - 0 0 49 -13,-0.2 -6,-0.1 -6,-0.1 -3,-0.0 -0.995 54.7-125.4-155.7 160.0 18.2 56.2 46.1 462 474 X L S S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 -66,-0.0 0.609 116.5 42.0 -79.7 -15.2 14.7 55.5 47.4 463 475 X N S S- 0 0 140 -3,-0.0 -1,-0.3 3,-0.0 3,-0.1 -0.676 86.6-172.8-129.4 83.7 13.9 59.1 46.6 464 476 X P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -8,-0.1 -0.250 32.3 -91.5 -74.3 158.1 15.5 59.7 43.4 465 477 X P - 0 0 73 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.261 47.6 -93.5 -61.0 162.9 15.6 63.3 42.0 466 478 X K >> - 0 0 131 1,-0.1 3,-0.7 -3,-0.1 4,-0.6 -0.460 28.8-121.5 -70.2 144.2 12.9 64.5 39.6 467 479 X C H >> S+ 0 0 45 1,-0.3 4,-2.6 2,-0.2 3,-1.8 0.919 114.3 58.6 -51.0 -47.3 13.6 64.2 35.9 468 480 X A H 3> S+ 0 0 20 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.812 86.4 74.6 -52.6 -40.8 13.2 68.0 35.6 469 481 X S H <4 S+ 0 0 62 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.842 118.5 16.4 -48.6 -29.8 15.9 68.6 38.1 470 482 X C H X< S+ 0 0 53 -3,-1.8 3,-0.5 -4,-0.6 -2,-0.2 0.729 130.0 48.0-109.4 -30.6 18.3 67.7 35.2 471 483 X H H 3< S+ 0 0 23 -4,-2.6 14,-0.4 1,-0.2 -3,-0.2 0.595 105.4 55.8 -94.5 -11.6 16.3 67.9 32.1 472 484 X S T 3< S+ 0 0 72 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 0.334 81.4 116.5 -97.2 4.3 14.7 71.3 32.7 473 485 X K S < S- 0 0 87 -3,-0.5 5,-0.1 -5,-0.2 12,-0.1 -0.386 85.1 -79.9 -58.7 153.7 18.2 72.8 33.1 474 486 X P >> - 0 0 68 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.208 43.6-111.3 -58.5 146.6 18.9 75.4 30.4 475 487 X F G >4 S+ 0 0 149 1,-0.3 3,-1.4 2,-0.2 7,-0.1 0.814 114.3 58.7 -44.1 -42.9 20.0 73.9 27.2 476 488 X Q G 34 S+ 0 0 149 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.581 105.0 53.8 -72.1 -9.6 23.7 75.2 27.4 477 489 X E G <4 S+ 0 0 118 -3,-2.3 2,-0.3 2,-0.1 -1,-0.3 0.503 94.4 82.2 -94.0 -10.5 24.0 73.3 30.7 478 490 X R S << S- 0 0 56 -3,-1.4 6,-0.1 -4,-0.5 -7,-0.0 -0.690 82.3-115.0 -96.9 151.2 22.9 69.9 29.4 479 491 X T > - 0 0 99 -2,-0.3 3,-1.8 4,-0.1 -1,-0.1 -0.244 40.0 -94.6 -78.0 172.5 25.2 67.4 27.5 480 492 X A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.1 0.871 124.8 41.2 -63.5 -37.3 24.4 66.6 23.9 481 493 X N T 3 S+ 0 0 162 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.111 92.3 98.6 -95.0 19.4 22.4 63.5 24.5 482 494 X Q < - 0 0 38 -3,-1.8 -1,-0.1 -7,-0.1 -4,-0.1 -0.886 65.6-156.8-108.2 94.2 20.6 65.0 27.6 483 495 X P - 0 0 40 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.024 19.7 -97.0 -65.6 169.9 17.2 66.2 26.2 484 496 X G > - 0 0 21 -12,-0.1 4,-2.6 -6,-0.1 -12,-0.2 -0.131 56.1 -84.8 -72.2-179.5 14.8 68.9 27.5 485 497 X L H > S+ 0 0 16 -14,-0.4 4,-2.6 2,-0.2 5,-0.2 0.920 126.4 47.6 -71.8 -46.5 12.0 67.6 29.7 486 498 X K H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.930 116.4 47.2 -55.0 -47.1 9.4 66.6 27.0 487 499 X G H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.869 108.5 55.0 -61.1 -41.0 12.1 64.8 25.1 488 500 X A H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 5,-0.4 0.951 114.4 39.9 -55.3 -54.4 13.3 63.1 28.3 489 501 X F H X S+ 0 0 36 -4,-2.6 4,-3.0 2,-0.2 5,-0.5 0.983 118.7 45.0 -64.4 -55.1 9.9 61.7 29.0 490 502 X H H X>S+ 0 0 61 -4,-2.9 4,-1.4 -5,-0.2 5,-0.8 0.942 116.1 46.1 -54.5 -47.8 9.0 60.8 25.5 491 503 X N H X5S+ 0 0 112 -4,-2.9 4,-0.8 -5,-0.3 -1,-0.2 0.904 120.0 37.9 -66.3 -38.6 12.3 59.2 24.7 492 504 X Q H X5S+ 0 0 69 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.942 122.9 41.0 -76.4 -49.7 12.6 57.2 27.9 493 505 X C H X5S+ 0 0 48 -4,-3.0 4,-1.8 -5,-0.4 -3,-0.2 0.991 126.2 32.1 -59.3 -66.7 8.8 56.2 28.2 494 506 X I H X5S+ 0 0 37 -4,-1.4 4,-3.0 -5,-0.5 5,-0.2 0.838 114.0 62.0 -61.2 -42.9 8.1 55.5 24.6 495 507 X G H XS+ 0 0 37 -4,-1.8 4,-1.7 1,-0.2 5,-1.6 0.932 109.6 48.5 -62.2 -44.6 7.7 50.6 25.1 498 510 X Q H <5S+ 0 0 125 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.4 45.6 -64.5 -36.8 9.2 50.2 21.6 499 511 X E H <5S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.864 121.2 36.7 -68.8 -39.6 12.0 47.9 22.9 500 512 X M H <5S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.574 105.1-126.1 -91.0 -12.3 9.8 45.8 25.1 501 513 X Q T <5 + 0 0 143 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.956 57.4 148.1 66.4 48.0 6.8 45.8 22.6 502 514 X V < - 0 0 59 -5,-1.6 -1,-0.2 2,-0.2 -2,-0.1 -0.851 41.4 -78.4-113.7 157.1 4.3 47.0 25.2 503 515 X N S S+ 0 0 109 -2,-0.3 2,-0.1 2,-0.1 3,-0.0 -0.710 98.8 60.8 -93.5 149.2 1.3 49.2 24.9 504 516 X P S S- 0 0 28 0, 0.0 -2,-0.2 0, 0.0 2,-0.1 0.372 83.1-149.4 -66.5 141.0 0.6 52.1 24.7 505 517 X K > - 0 0 128 -2,-0.1 3,-2.1 1,-0.1 6,-0.2 -0.347 30.1 -97.2 -79.0 166.6 2.6 52.2 21.4 506 518 X A T 3 S+ 0 0 44 1,-0.3 -1,-0.1 -12,-0.2 -12,-0.1 0.773 126.9 47.3 -57.2 -29.6 4.4 55.4 20.3 507 519 X T T 3 S+ 0 0 127 1,-0.2 2,-1.5 2,-0.1 -1,-0.3 0.547 89.5 87.0 -91.4 -6.3 1.4 56.3 18.0 508 520 X D X> + 0 0 57 -3,-2.1 3,-1.7 1,-0.2 4,-0.7 -0.428 52.8 162.3 -91.4 62.0 -1.2 55.6 20.8 509 521 X C H >> S+ 0 0 56 -2,-1.5 4,-2.1 1,-0.3 3,-1.3 0.873 70.5 53.6 -46.9 -53.2 -0.9 59.1 22.2 510 522 X Q H 34 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.695 92.8 73.8 -60.6 -22.2 -4.1 58.9 24.1 511 523 X G H <4 S+ 0 0 29 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.876 112.4 26.0 -62.1 -35.0 -2.9 55.7 25.8 512 524 X C H << S+ 0 0 42 -3,-1.3 -92,-1.5 -4,-0.7 2,-0.4 0.823 136.9 17.2 -92.0 -44.5 -0.6 57.8 27.9 513 525 X H S < S- 0 0 32 -4,-2.1 -1,-0.3 -94,-0.2 -94,-0.2 -0.973 74.5-130.4-135.7 126.9 -2.3 61.1 28.0 514 526 X K - 0 0 98 -96,-0.5 -97,-3.6 -2,-0.4 -3,-0.0 -0.413 43.1 -90.1 -70.3 146.9 -5.9 61.9 27.2 515 527 X P B -K 416 0I 71 0, 0.0 -99,-0.3 0, 0.0 -1,-0.1 -0.184 52.7-100.0 -61.5 148.0 -6.5 64.8 24.8 516 528 X K - 0 0 84 -101,-2.5 2,-1.0 -99,-0.1 -99,-0.0 -0.359 14.4-130.7 -74.5 148.2 -7.0 68.3 26.5 517 529 X N 0 0 151 1,-0.2 -1,-0.1 -2,-0.1 -101,-0.1 -0.758 360.0 360.0 -91.7 92.5 -10.3 70.1 27.2 518 530 X S 0 0 146 -2,-1.0 -1,-0.2 -103,-0.1 -104,-0.0 0.961 360.0 360.0 -65.6 360.0 -9.2 73.5 25.8