==== 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 OXIDOREDUCTASE 23-MAY-00 1F26 . COMPND 2 MOLECULE: NITRIC OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR H.SHIMIZU,S.-Y.PARK . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 0 2 2 0 2 1 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 5 A A 0 0 85 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 134.7 32.2 -11.1 21.7 2 6 A P - 0 0 69 0, 0.0 29,-3.0 0, 0.0 2,-0.1 -0.389 360.0 -97.1 -80.8 154.1 35.4 -11.3 19.7 3 7 A S B -a 31 0A 84 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.393 48.4-122.2 -68.5 138.9 38.8 -11.0 21.2 4 8 A F S S+ 0 0 8 27,-2.5 29,-0.3 -2,-0.1 2,-0.2 -0.988 83.2 55.6-134.1 141.7 40.4 -7.5 21.0 5 9 A P S S- 0 0 50 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.420 82.3-143.7 -66.4 153.2 42.9 -6.2 19.9 6 10 A F - 0 0 14 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.472 14.3-112.6 -81.0 155.1 42.2 -7.4 16.4 7 11 A S - 0 0 59 -2,-0.2 9,-0.5 1,-0.1 10,-0.3 -0.714 35.4-100.3 -90.9 146.4 45.0 -8.4 14.1 8 12 A R - 0 0 10 378,-2.7 3,-0.1 -2,-0.3 -1,-0.1 -0.264 26.8-124.4 -58.0 145.2 45.8 -6.3 10.9 9 13 A A S S- 0 0 57 5,-1.6 2,-0.3 1,-0.2 -1,-0.1 0.804 87.1 -25.0 -66.1 -25.9 44.4 -7.8 7.7 10 14 A S S > S- 0 0 37 3,-0.5 3,-1.6 4,-0.1 -1,-0.2 -0.906 91.5 -63.1-166.7 178.7 47.9 -7.8 6.4 11 15 A G T 3 S+ 0 0 12 1,-0.3 380,-0.3 -2,-0.3 373,-0.2 0.840 130.4 21.9 -38.2 -62.5 51.2 -5.9 6.9 12 16 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.353 109.3 91.4 -97.2 9.4 50.1 -2.4 5.8 13 17 A E S < S- 0 0 91 -3,-1.6 -3,-0.5 1,-0.1 -4,-0.2 -0.739 72.8-113.7-106.8 154.0 46.3 -2.8 6.4 14 18 A P - 0 0 23 0, 0.0 -5,-1.6 0, 0.0 -4,-0.1 -0.269 55.1 -75.9 -65.2 162.7 43.9 -2.1 9.3 15 19 A P > - 0 0 10 0, 0.0 3,-0.8 0, 0.0 4,-0.4 -0.366 41.2-130.8 -53.1 139.4 42.1 -5.0 11.0 16 20 A A T 3> S+ 0 0 51 -9,-0.5 4,-0.9 1,-0.2 3,-0.4 0.721 97.1 74.6 -68.7 -22.2 39.3 -6.2 8.7 17 21 A E H 3> S+ 0 0 73 -10,-0.3 4,-2.2 1,-0.2 3,-0.3 0.847 82.3 66.8 -62.3 -33.0 36.8 -6.2 11.5 18 22 A F H <> S+ 0 0 6 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.881 96.6 51.1 -65.2 -41.2 36.4 -2.4 11.7 19 23 A A H > S+ 0 0 44 -3,-0.4 4,-1.6 -4,-0.4 -1,-0.2 0.890 112.0 47.9 -58.9 -41.1 34.8 -1.8 8.3 20 24 A K H X S+ 0 0 137 -4,-0.9 4,-2.2 -3,-0.3 5,-0.3 0.905 112.3 49.9 -68.9 -40.4 32.1 -4.4 9.0 21 25 A L H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.896 107.8 52.6 -64.5 -45.2 31.5 -2.9 12.4 22 26 A R H < S+ 0 0 17 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.906 115.8 42.7 -56.0 -38.1 31.1 0.6 11.1 23 27 A A H < S+ 0 0 72 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.888 134.4 10.1 -74.2 -39.5 28.5 -0.8 8.6 24 28 A T H < S+ 0 0 111 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.596 137.1 15.3-124.5 -15.0 26.5 -3.1 10.9 25 29 A N < + 0 0 61 -4,-2.6 -2,-0.1 -5,-0.3 -1,-0.1 -0.397 59.0 171.0-167.0 65.2 27.4 -2.7 14.6 26 30 A P S S+ 0 0 37 0, 0.0 16,-1.7 0, 0.0 2,-0.5 0.701 75.9 40.9 -67.8 -20.2 29.3 0.5 15.1 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.985 84.7 143.5-127.2 112.1 29.2 0.4 19.0 28 32 A S E - B 0 40A 7 12,-2.0 12,-3.5 -2,-0.5 2,-0.3 -0.955 47.6 -97.0-148.0 164.3 29.8 -3.1 20.2 29 33 A Q E - B 0 39A 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.676 32.2-176.1 -92.9 142.8 31.3 -5.3 22.9 30 34 A V E - B 0 38A 0 8,-2.8 8,-2.2 -2,-0.3 2,-0.5 -0.895 24.3-119.8-124.9 157.4 34.7 -7.0 22.6 31 35 A K E -aB 3 37A 89 -29,-3.0 -27,-2.5 -2,-0.3 6,-0.2 -0.874 23.5-147.1-103.9 132.3 36.5 -9.3 24.9 32 36 A L > - 0 0 5 4,-3.0 3,-2.5 -2,-0.5 36,-0.1 -0.383 35.4 -93.0 -89.7 171.0 39.9 -8.4 26.4 33 37 A F T 3 S+ 0 0 98 -29,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.764 125.8 52.5 -57.2 -28.6 42.7 -10.8 27.3 34 38 A D T 3 S- 0 0 64 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.403 120.7-105.8 -89.7 2.7 41.4 -11.1 30.9 35 39 A G S < S+ 0 0 44 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.317 80.5 128.6 87.0 -5.2 37.9 -12.1 29.7 36 40 A S - 0 0 47 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.299 54.0-122.6 -70.7 163.6 36.5 -8.7 30.7 37 41 A L E -B 31 0A 80 -6,-0.2 269,-0.6 -3,-0.1 2,-0.3 -0.740 25.2-178.3-105.6 156.7 34.5 -6.7 28.2 38 42 A A E -Bc 30 306A 1 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.5 -0.993 30.7-110.5-146.1 157.4 34.8 -3.4 26.7 39 43 A W E -Bc 29 307A 22 267,-2.8 269,-3.2 -2,-0.3 2,-0.6 -0.734 27.6-152.5 -86.7 126.6 32.8 -1.2 24.2 40 44 A L E -Bc 28 308A 0 -12,-3.5 -12,-2.0 -2,-0.5 2,-0.4 -0.895 7.0-161.7-102.4 124.7 34.5 -0.7 20.9 41 45 A V E +Bc 27 309A 0 267,-2.9 269,-2.7 -2,-0.6 -14,-0.2 -0.913 16.3 168.4-110.9 129.2 33.6 2.5 19.1 42 46 A T + 0 0 0 -16,-1.7 2,-0.3 -2,-0.4 -20,-0.1 0.551 43.3 88.3-123.4 -18.0 34.3 2.6 15.4 43 47 A K S > S- 0 0 15 -17,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.715 74.3-125.4 -92.4 144.4 32.7 5.6 13.8 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.5 270,-0.3 5,-0.2 0.891 109.1 52.1 -51.9 -49.0 34.4 9.0 13.6 45 49 A K H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.911 113.0 45.0 -59.6 -39.2 31.6 10.9 15.3 46 50 A D H > S+ 0 0 17 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.843 109.3 54.8 -76.9 -30.9 31.5 8.5 18.2 47 51 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 108.7 49.7 -65.5 -42.9 35.3 8.4 18.6 48 52 A C H X S+ 0 0 19 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.910 110.3 50.8 -60.9 -42.5 35.2 12.2 18.9 49 53 A F H >X S+ 0 0 86 -4,-1.9 4,-2.2 -5,-0.2 3,-0.6 0.917 111.4 46.8 -59.7 -47.4 32.5 11.9 21.5 50 54 A V H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 110.5 53.9 -61.1 -42.4 34.4 9.4 23.5 51 55 A A H 3< S+ 0 0 7 -4,-2.6 295,-0.3 1,-0.2 294,-0.3 0.741 120.4 30.4 -63.1 -26.4 37.5 11.5 23.3 52 56 A T H << S+ 0 0 66 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.598 83.9 117.7-111.0 -14.1 35.8 14.6 24.7 53 57 A S >< - 0 0 18 -4,-2.2 3,-1.4 1,-0.2 -4,-0.0 -0.359 50.4-152.7 -70.5 131.3 33.0 13.5 27.1 54 58 A E T 3 S+ 0 0 169 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.535 93.0 69.8 -75.0 -7.5 33.5 14.6 30.6 55 59 A K T 3 S+ 0 0 98 236,-0.1 236,-3.1 235,-0.0 237,-0.7 0.442 91.1 77.9 -83.6 -2.7 31.5 11.6 31.8 56 60 A L E < -D 290 0A 7 -3,-1.4 2,-0.3 234,-0.2 234,-0.2 -0.856 67.3-153.1-114.6 146.5 34.5 9.4 30.8 57 61 A S E -D 289 0A 0 232,-2.7 232,-1.9 -2,-0.3 29,-0.1 -0.929 22.9-162.7-125.4 142.9 37.8 8.9 32.6 58 62 A K + 0 0 17 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.364 56.0 122.6 -91.7 -2.9 41.4 8.0 31.7 59 63 A V > - 0 0 41 1,-0.2 3,-1.3 230,-0.1 26,-0.1 -0.436 51.4-155.4 -73.0 125.3 42.3 7.0 35.3 60 64 A R T 3 S+ 0 0 55 -2,-0.3 -1,-0.2 24,-0.3 5,-0.1 0.566 84.0 69.3 -86.2 -5.9 43.5 3.5 35.3 61 65 A T T 3 S+ 0 0 120 2,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.385 77.0 104.8 -87.2 2.0 42.7 2.6 38.9 62 66 A R S X S- 0 0 91 -3,-1.3 3,-1.9 1,-0.1 2,-0.1 -0.644 82.4-115.2 -80.9 132.0 39.0 2.7 37.9 63 67 A Q T 3 S+ 0 0 175 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.477 101.4 40.6 -68.6 141.8 37.6 -0.7 37.6 64 68 A G T 3 S+ 0 0 29 1,-0.4 -1,-0.2 -2,-0.1 224,-0.1 0.203 75.4 149.4 102.3 -7.5 36.5 -1.4 34.1 65 69 A F < - 0 0 21 -3,-1.9 2,-2.1 1,-0.1 -1,-0.4 -0.390 53.4-122.1 -58.5 128.4 39.5 0.2 32.5 66 70 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.468 35.6 179.2 -81.6 80.5 40.2 -1.6 29.4 67 71 A E - 0 0 10 -2,-2.1 -33,-0.3 1,-0.1 -34,-0.2 -0.608 13.8-158.9 -72.5 135.7 43.8 -2.8 29.8 68 72 A L + 0 0 24 -2,-0.3 2,-0.3 -36,-0.1 -35,-0.2 0.519 65.5 23.7-101.8 -4.4 44.7 -4.8 26.7 69 73 A S S >> S- 0 0 47 1,-0.1 4,-1.7 -37,-0.1 3,-0.6 -0.970 80.6-105.5-153.3 161.4 47.5 -6.9 27.9 70 74 A A H 3> S+ 0 0 66 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.887 119.8 54.4 -57.2 -40.6 48.9 -8.4 31.2 71 75 A S H 3> S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 103.0 56.1 -66.0 -27.0 51.7 -5.8 31.2 72 76 A G H <> S+ 0 0 11 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.895 104.5 54.2 -71.0 -38.6 49.2 -2.9 30.9 73 77 A K H < S+ 0 0 104 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.927 110.2 46.7 -60.4 -41.4 47.6 -4.2 34.0 74 78 A Q H >< S+ 0 0 120 -4,-1.8 3,-1.6 1,-0.2 4,-0.3 0.924 109.6 52.7 -67.0 -44.2 51.0 -4.1 35.8 75 79 A A H >< S+ 0 0 54 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.764 94.4 71.5 -62.3 -24.2 51.8 -0.6 34.5 76 80 A A T 3< S+ 0 0 17 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.611 85.6 69.5 -70.7 -9.5 48.5 0.8 35.8 77 81 A K T < S+ 0 0 158 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.686 82.2 93.1 -80.4 -21.3 49.8 0.4 39.4 78 82 A A S < S- 0 0 68 -3,-1.5 -3,-0.0 -4,-0.3 0, 0.0 -0.338 94.7 -85.9 -78.2 159.6 52.4 3.2 39.0 79 83 A K - 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0 0 19 -4,-1.8 -1,-0.1 -5,-0.2 -2,-0.1 0.001 32.7-110.6 71.1-177.5 76.8 5.0 0.4 129 133 A C S > S+ 0 0 27 270,-0.2 3,-1.9 -4,-0.1 -1,-0.2 -0.009 71.0 125.7-137.0 30.3 75.2 1.9 -0.8 130 134 A A T 3 S+ 0 0 102 1,-0.3 -2,-0.1 -3,-0.2 -3,-0.0 0.778 78.1 45.0 -62.0 -27.0 77.9 0.6 -3.0 131 135 A N T 3 S- 0 0 175 1,-0.4 -1,-0.3 -3,-0.0 -3,-0.0 0.322 129.2 -70.4-101.3 10.3 78.1 -2.8 -1.2 132 136 A G S < S- 0 0 28 -3,-1.9 -1,-0.4 2,-0.0 265,-0.1 -0.706 75.4 -24.7 129.3 175.7 74.4 -3.3 -1.1 133 137 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 265,-0.2 -0.187 49.1-149.8 -62.2 155.3 71.2 -1.9 0.5 134 138 A V E -F 397 0B 19 263,-2.3 263,-2.7 261,-0.1 2,-0.8 -0.843 27.0-101.9-118.1 163.0 71.1 -0.2 3.9 135 139 A D E > -F 396 0B 44 -2,-0.3 4,-2.7 261,-0.2 5,-0.2 -0.732 22.2-160.4 -89.5 110.9 68.3 -0.1 6.4 136 140 A L H >>S+ 0 0 0 259,-2.7 5,-2.6 -2,-0.8 4,-1.3 0.820 90.9 57.1 -58.7 -30.9 66.4 3.1 6.2 137 141 A V H >4>S+ 0 0 13 3,-0.2 5,-2.9 4,-0.2 3,-0.6 0.994 112.2 36.8 -65.5 -60.8 65.0 2.5 9.7 138 142 A K H 345S+ 0 0 119 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.908 124.3 42.2 -55.6 -42.7 68.4 2.2 11.4 139 143 A E H 3<5S- 0 0 45 -4,-2.7 -1,-0.2 3,-0.1 -2,-0.2 0.615 138.1 -9.8 -84.2 -12.6 70.1 4.9 9.3 140 144 A F T S+ 0 0 6 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.826 101.5 67.5 -66.4 -29.1 67.5 8.6 14.5 144 148 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 5,-0.1 0.975 112.6 28.7 -57.0 -61.9 65.4 11.5 13.2 145 149 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.905 122.2 54.9 -66.8 -35.2 62.7 11.5 15.9 146 150 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.3 0.936 108.7 45.4 -60.5 -52.1 65.2 10.1 18.6 147 151 A Y H X S+ 0 0 45 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.904 115.1 49.5 -64.4 -37.6 67.8 12.8 18.1 148 152 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.4 5,-0.2 0.973 113.6 41.5 -67.1 -53.9 65.2 15.5 18.2 149 153 A I H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.922 117.0 49.0 -67.6 -37.8 63.3 14.5 21.3 150 154 A Y H X>S+ 0 0 2 -4,-2.4 5,-2.5 -5,-0.3 4,-1.9 0.939 112.5 48.4 -63.1 -42.6 66.5 13.6 23.2 151 155 A T H <5S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.929 111.7 49.3 -61.9 -44.8 68.0 17.0 22.2 152 156 A L H <5S+ 0 0 22 -4,-2.7 54,-2.7 -5,-0.2 55,-0.3 0.910 110.3 51.3 -61.6 -36.3 64.8 18.8 23.3 153 157 A L H <5S- 0 0 0 -4,-2.4 54,-2.0 -5,-0.2 55,-0.3 0.885 126.7 -99.0 -70.8 -33.9 64.8 17.0 26.6 154 158 A G T <5 + 0 0 5 -4,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.457 66.9 149.8 130.6 7.1 68.4 17.9 27.2 155 159 A V < - 0 0 6 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.525 48.7-115.0 -71.5 135.6 70.6 15.0 26.3 156 160 A P > - 0 0 58 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.410 24.0-110.4 -72.6 151.6 74.1 16.0 25.0 157 161 A F G > S+ 0 0 147 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.816 112.6 59.0 -46.4 -45.5 75.1 15.3 21.5 158 162 A N G 3 S+ 0 0 154 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.737 104.8 50.8 -66.7 -18.8 77.7 12.7 22.3 159 163 A D G <> S+ 0 0 57 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.511 83.7 91.8 -95.4 -3.8 75.1 10.5 24.0 160 164 A L H <> S+ 0 0 3 -3,-1.5 4,-2.1 -4,-0.4 5,-0.2 0.889 83.0 50.0 -63.7 -42.5 72.5 10.4 21.3 161 165 A E H > S+ 0 0 139 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.951 113.8 43.3 -64.9 -47.5 73.6 7.3 19.4 162 166 A Y H > S+ 0 0 111 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.934 117.1 46.5 -62.9 -49.4 73.8 5.0 22.4 163 167 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.815 109.0 56.0 -64.5 -31.0 70.5 6.3 23.9 164 168 A T H X S+ 0 0 7 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.928 109.9 46.0 -63.9 -45.8 68.8 6.0 20.5 165 169 A Q H X S+ 0 0 103 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.932 112.3 50.2 -62.1 -44.5 69.8 2.4 20.4 166 170 A Q H X S+ 0 0 21 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.903 108.5 51.5 -66.0 -37.9 68.7 1.7 23.9 167 171 A N H X S+ 0 0 2 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.907 108.3 53.1 -67.2 -36.3 65.3 3.3 23.5 168 172 A A H >X S+ 0 0 10 -4,-2.0 4,-2.0 1,-0.2 3,-1.3 0.889 101.0 61.1 -60.5 -40.0 64.8 1.1 20.4 169 173 A I H 3< S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.854 94.1 63.8 -58.6 -33.2 65.6 -2.0 22.4 170 174 A R H 3< S+ 0 0 54 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.815 119.2 22.4 -58.4 -34.1 62.6 -1.2 24.7 171 175 A T H << S+ 0 0 73 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.424 88.8 120.9-114.7 -3.8 60.2 -1.7 21.8 172 176 A N >< - 0 0 71 -4,-2.0 3,-1.4 1,-0.2 8,-0.1 -0.348 61.2-137.5 -61.6 135.0 62.1 -3.9 19.3 173 177 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.781 102.3 60.6 -66.6 -21.4 60.2 -7.1 18.6 174 178 A S T 3 S+ 0 0 106 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.658 83.5 101.8 -76.7 -18.8 63.5 -9.0 18.8 175 179 A S S < S- 0 0 23 -3,-1.4 2,-0.1 -6,-0.2 -5,-0.0 -0.415 71.8-127.7 -66.5 142.1 64.3 -7.9 22.4 176 180 A T > - 0 0 75 1,-0.1 4,-2.6 -2,-0.1 5,-0.3 -0.418 30.6-104.5 -75.8 164.0 63.6 -10.4 25.2 177 181 A A H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 123.8 51.5 -53.7 -43.5 61.5 -9.2 28.1 178 182 A R H > S+ 0 0 217 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.930 109.8 48.1 -59.2 -46.4 64.7 -8.8 30.2 179 183 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 113.9 46.7 -61.1 -46.2 66.5 -6.7 27.5 180 184 A A H X S+ 0 0 24 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 114.5 46.7 -66.6 -44.2 63.5 -4.4 27.1 181 185 A S H X S+ 0 0 79 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.901 113.1 49.4 -67.0 -37.4 63.0 -4.0 30.9 182 186 A A H X S+ 0 0 59 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.883 111.6 48.6 -70.0 -40.3 66.7 -3.4 31.4 183 187 A A H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.930 110.8 52.2 -62.4 -43.6 66.7 -0.8 28.6 184 188 A N H X S+ 0 0 46 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.969 112.4 43.8 -51.8 -52.7 63.7 0.8 30.1 185 189 A Q H X S+ 0 0 91 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.859 109.2 57.8 -70.2 -31.7 65.3 1.1 33.5 186 190 A E H X S+ 0 0 65 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.900 106.0 49.0 -62.4 -42.9 68.6 2.3 32.0 187 191 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.901 110.8 50.9 -65.4 -40.2 66.9 5.3 30.4 188 192 A L H X S+ 0 0 18 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.914 110.1 48.9 -61.6 -43.2 65.2 6.1 33.6 189 193 A D H X S+ 0 0 91 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.892 112.2 49.7 -64.6 -38.6 68.5 6.0 35.5 190 194 A Y H X S+ 0 0 54 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 110.4 49.0 -61.1 -50.9 70.1 8.2 32.9 191 195 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.880 105.9 58.4 -62.2 -35.6 67.2 10.7 33.1 192 196 A A H X S+ 0 0 37 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.871 106.7 47.4 -61.8 -37.9 67.5 10.8 36.9 193 197 A I H X S+ 0 0 99 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.884 110.1 53.2 -69.8 -36.4 71.1 11.9 36.6 194 198 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.920 107.8 50.7 -62.9 -40.7 70.2 14.5 34.0 195 199 A V H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.932 109.2 50.8 -62.5 -42.4 67.6 15.9 36.4 196 200 A E H X S+ 0 0 91 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.923 113.6 46.4 -60.1 -41.0 70.2 16.1 39.2 197 201 A Q H X S+ 0 0 107 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.914 111.7 48.2 -67.4 -45.2 72.5 17.9 36.9 198 202 A R H < S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 105.2 60.4 -73.9 -21.3 70.0 20.4 35.5 199 203 A L H < S+ 0 0 26 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.871 113.3 37.6 -66.2 -34.6 68.8 21.2 39.1 200 204 A V H < S+ 0 0 123 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.846 138.5 12.9 -82.9 -39.5 72.3 22.3 39.9 201 205 A E S < S- 0 0 134 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 -0.727 79.7-153.0-142.2 90.6 73.0 23.9 36.5 202 206 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.322 11.6-171.8 -66.4 150.1 70.1 24.5 34.2 203 207 A K - 0 0 123 2,-0.1 2,-2.0 0, 0.0 6,-0.1 -0.673 44.7 -78.1-126.6-176.7 70.5 24.6 30.5 204 208 A D S S+ 0 0 150 -2,-0.2 2,-0.3 4,-0.1 -50,-0.1 -0.473 91.7 100.9 -94.4 77.8 68.0 25.5 27.7 205 209 A D S > S- 0 0 13 -2,-2.0 4,-1.9 1,-0.1 -52,-0.2 -0.944 83.6-100.0-152.5 171.8 66.1 22.2 27.6 206 210 A I H > S+ 0 0 6 -54,-2.7 4,-2.4 -2,-0.3 5,-0.2 0.909 118.8 51.9 -70.7 -42.0 62.8 20.7 28.8 207 211 A I H > S+ 0 0 0 -54,-2.0 4,-2.5 -55,-0.3 -1,-0.2 0.927 108.9 52.0 -59.9 -41.4 64.3 18.9 31.8 208 212 A S H > S+ 0 0 1 -55,-0.3 4,-2.9 1,-0.2 5,-0.3 0.890 108.4 50.5 -62.8 -41.1 65.9 22.1 33.0 209 213 A K H X S+ 0 0 70 -4,-1.9 4,-2.9 1,-0.2 5,-0.5 0.925 110.3 50.0 -65.3 -40.1 62.6 24.0 32.7 210 214 A L H X>S+ 0 0 1 -4,-2.4 5,-2.5 3,-0.2 4,-1.9 0.930 113.0 47.6 -58.1 -43.7 60.9 21.2 34.8 211 215 A C H <>S+ 0 0 0 -4,-2.5 5,-2.8 3,-0.2 -2,-0.2 0.955 120.7 35.0 -64.1 -47.7 63.7 21.5 37.4 212 216 A T H <5S+ 0 0 64 -4,-2.9 -2,-0.2 3,-0.2 -3,-0.2 0.904 126.9 35.8 -74.0 -43.6 63.6 25.3 37.6 213 217 A E H <5S+ 0 0 90 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.740 135.7 12.0 -86.6 -23.9 59.8 25.9 37.2 214 218 A Q T <>S+ 0 0 29 -4,-1.9 5,-1.8 -5,-0.5 6,-1.8 0.718 124.2 45.6-126.7 -39.7 58.4 22.8 39.0 215 219 A V T > - 0 0 77 -2,-0.3 4,-2.1 -3,-0.1 3,-0.4 -0.555 34.5 -97.7-102.8 174.1 59.5 16.2 42.9 222 226 A K H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.896 123.1 53.1 -49.4 -48.1 62.6 15.0 41.1 223 227 A S H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 106.5 53.3 -65.6 -35.3 61.2 11.6 40.3 224 228 A D H > S+ 0 0 25 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.877 107.2 52.1 -61.3 -40.3 58.1 13.2 38.8 225 229 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.929 109.4 49.9 -61.6 -41.1 60.3 15.3 36.5 226 230 A V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.934 112.1 47.3 -60.5 -45.0 62.1 12.0 35.5 227 231 A Q H X S+ 0 0 82 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.845 111.7 49.8 -72.1 -32.7 58.7 10.4 34.7 228 232 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.938 112.8 46.8 -70.0 -45.8 57.4 13.4 32.7 229 233 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.908 112.3 51.4 -56.1 -44.5 60.6 13.5 30.7 230 234 A F H X S+ 0 0 16 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.907 106.8 52.3 -58.9 -46.7 60.4 9.7 30.2 231 235 A L H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.935 107.4 52.9 -55.7 -45.8 56.8 9.9 29.0 232 236 A L H < S+ 0 0 18 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.877 113.5 44.8 -61.8 -34.2 57.8 12.6 26.4 233 237 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.2 3,-0.2 0.960 122.2 32.7 -70.4 -53.5 60.5 10.2 25.1 234 238 A V H < S+ 0 0 31 -4,-3.1 4,-0.3 1,-0.2 -2,-0.2 0.694 101.5 73.7 -87.4 -15.8 58.6 7.0 24.9 235 239 A A T < S+ 0 0 64 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.1 0.933 117.3 8.2 -65.8 -39.5 55.1 8.1 24.1 236 240 A G T > S+ 0 0 32 -4,-0.5 4,-2.7 -5,-0.3 -1,-0.2 0.484 100.7 91.2-120.7 -4.5 55.7 9.0 20.4 237 241 A N H X S+ 0 0 6 -4,-0.9 4,-2.2 1,-0.2 5,-0.2 0.969 92.4 41.5 -69.8 -54.6 59.2 7.9 19.4 238 242 A A H > S+ 0 0 32 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.857 114.5 54.9 -57.6 -34.0 58.5 4.4 18.0 239 243 A V H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.952 107.3 49.8 -63.0 -47.0 55.3 5.8 16.4 240 244 A M H X S+ 0 0 17 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.905 108.8 51.9 -56.3 -46.2 57.4 8.4 14.6 241 245 A V H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.943 112.1 46.9 -57.7 -46.6 59.9 5.9 13.3 242 246 A N H X S+ 0 0 28 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.872 109.3 54.0 -62.3 -40.8 57.0 3.7 12.0 243 247 A M H X S+ 0 0 11 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 109.4 47.7 -65.0 -41.0 55.4 6.7 10.3 244 248 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.948 115.5 43.8 -60.7 -51.3 58.5 7.6 8.5 245 249 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.913 113.6 51.2 -60.6 -45.0 59.1 4.1 7.3 246 250 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.856 107.6 54.3 -59.3 -37.0 55.4 3.7 6.4 247 251 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.927 108.7 47.2 -64.5 -43.1 55.6 6.9 4.4 248 252 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 114.2 47.7 -63.6 -44.3 58.5 5.6 2.3 249 253 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.922 110.5 52.1 -61.7 -42.1 56.8 2.3 1.7 250 254 A T H X S+ 0 0 4 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.890 107.7 51.3 -63.1 -39.5 53.5 4.0 0.7 251 255 A L H < S+ 0 0 1 -4,-2.2 7,-0.5 1,-0.2 3,-0.5 0.910 110.9 48.6 -66.9 -38.0 55.3 6.2 -1.8 252 256 A A H < S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.3 55.0 -65.3 -34.8 56.9 3.2 -3.3 253 257 A Q H < S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.712 114.6 39.8 -70.0 -21.8 53.5 1.5 -3.4 254 258 A H S >X S- 0 0 63 -4,-1.1 4,-1.7 -3,-0.5 3,-1.3 -0.687 71.6-177.0-132.0 75.3 51.9 4.4 -5.4 255 259 A P H 3> S+ 0 0 92 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.803 77.4 56.9 -50.3 -35.4 54.5 5.4 -7.9 256 260 A D H 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.873 106.1 50.5 -71.7 -30.6 52.6 8.4 -9.3 257 261 A Q H <> S+ 0 0 24 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.883 109.3 51.3 -70.8 -34.7 52.2 10.0 -6.0 258 262 A L H X S+ 0 0 21 -4,-1.7 4,-2.8 -7,-0.5 5,-0.3 0.916 108.7 52.0 -60.5 -45.7 55.9 9.6 -5.4 259 263 A A H X S+ 0 0 48 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 110.3 49.0 -59.1 -38.3 56.5 11.2 -8.8 260 264 A Q H X S+ 0 0 57 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.935 111.3 48.0 -67.3 -42.8 54.2 14.1 -7.8 261 265 A L H < S+ 0 0 2 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.873 111.4 50.3 -66.4 -38.3 56.1 14.6 -4.5 262 266 A K H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.5 48.0 -64.5 -38.3 59.4 14.5 -6.2 263 267 A A H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 129.4 20.5 -74.2 -21.7 58.2 17.1 -8.7 264 268 A N >< - 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