==== 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 METAL BINDING PROTEIN 09-FEB-07 2OU6 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 67.2 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 47.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 0 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 118 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 157.9 34.1 34.5 10.7 2 3 A T - 0 0 112 1,-0.1 25,-0.2 26,-0.0 26,-0.1 -0.831 360.0 -59.1-119.3 163.9 30.4 34.0 10.1 3 4 A F - 0 0 58 -2,-0.3 -1,-0.1 132,-0.3 3,-0.1 -0.095 47.6-162.1 -41.0 124.2 27.5 36.4 10.8 4 5 A N > - 0 0 70 1,-0.1 3,-1.9 -3,-0.0 4,-0.1 -0.945 8.3-154.3-114.9 113.4 27.4 37.3 14.5 5 6 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.736 91.0 66.5 -61.1 -22.3 23.9 38.8 15.4 6 7 A E G 3 S+ 0 0 88 1,-0.3 4,-0.1 -3,-0.1 -3,-0.0 0.647 94.1 58.9 -71.2 -16.5 25.3 40.7 18.3 7 8 A L G < S+ 0 0 55 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.316 107.5 53.6 -91.0 4.7 27.3 42.9 15.8 8 9 A H S < S- 0 0 8 -3,-1.3 2,-0.2 -4,-0.1 9,-0.1 -0.802 103.1 -73.1-133.2 168.9 24.1 44.0 14.1 9 10 A A + 0 0 14 -2,-0.3 3,-0.1 7,-0.2 -2,-0.1 -0.503 41.0 175.2 -63.8 135.4 20.8 45.6 15.0 10 11 A Q + 0 0 124 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.444 67.6 23.5-117.0 -10.2 18.6 43.2 16.8 11 12 A T - 0 0 55 1,-0.0 6,-0.3 3,-0.0 -1,-0.3 -0.987 65.0-131.8-151.2 149.3 15.7 45.6 17.6 12 13 A L S S+ 0 0 28 -2,-0.3 2,-0.7 1,-0.2 -1,-0.0 0.600 99.1 80.8 -74.3 -11.4 14.4 48.9 16.3 13 14 A N S S+ 0 0 149 4,-0.0 2,-0.3 3,-0.0 -1,-0.2 -0.233 84.5 70.2 -89.7 45.2 14.4 50.0 19.9 14 15 A S S > S- 0 0 39 -2,-0.7 3,-1.1 -3,-0.3 4,-0.2 -0.977 84.7-120.2-153.6 151.2 18.1 50.8 19.9 15 16 A E G > S+ 0 0 141 -2,-0.3 3,-2.0 1,-0.2 -6,-0.1 0.781 107.3 75.3 -64.0 -25.4 20.4 53.4 18.4 16 17 A R G > S+ 0 0 50 1,-0.3 3,-1.4 2,-0.2 -7,-0.2 0.838 85.7 61.6 -53.1 -34.3 22.2 50.5 16.7 17 18 A A G < S+ 0 0 8 -3,-1.1 -1,-0.3 -6,-0.3 -2,-0.2 0.660 101.7 53.4 -68.6 -16.3 19.2 50.1 14.2 18 19 A Y G < S+ 0 0 131 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 0.092 94.8 80.9-111.0 16.4 19.9 53.7 12.9 19 20 A F < - 0 0 100 -3,-1.4 2,-0.6 18,-0.1 -10,-0.2 -0.991 62.7-156.4-119.9 128.3 23.6 53.2 12.1 20 21 A V + 0 0 83 -2,-0.4 14,-0.1 18,-0.0 -3,-0.1 -0.965 18.8 178.7-100.9 115.8 24.8 51.5 8.9 21 22 A Q > - 0 0 73 -2,-0.6 3,-2.0 12,-0.2 4,-0.3 -0.874 13.0-174.1-125.7 88.8 28.2 50.2 9.8 22 23 A P T 3 S+ 0 0 45 0, 0.0 3,-0.2 0, 0.0 11,-0.2 0.695 88.0 45.4 -61.0 -22.4 29.8 48.3 6.8 23 24 A D T 3 S+ 0 0 125 1,-0.1 11,-0.0 10,-0.1 6,-0.0 0.138 79.7 107.7-107.0 21.2 32.7 47.2 8.9 24 25 A A S < S+ 0 0 26 -3,-2.0 -1,-0.1 1,-0.2 -16,-0.0 0.814 80.8 41.3 -61.2 -33.5 30.7 46.1 12.0 25 26 A D > - 0 0 5 -4,-0.3 3,-1.8 -3,-0.2 -1,-0.2 -0.972 67.5-149.2-130.5 119.1 31.3 42.4 11.4 26 27 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.623 92.1 77.1 -66.0 -8.3 34.6 40.7 10.2 27 28 A A T 3 S+ 0 0 9 -25,-0.2 2,-0.4 -23,-0.1 -24,-0.1 0.712 94.3 59.2 -67.3 -20.5 32.5 38.0 8.4 28 29 A F S < S- 0 0 14 -3,-1.8 -3,-0.1 -26,-0.1 111,-0.1 -0.912 75.5-131.4-123.9 139.2 31.8 40.6 5.6 29 30 A T > - 0 0 42 112,-0.4 4,-3.2 -2,-0.4 5,-0.2 -0.327 49.3 -91.6 -70.2 160.8 33.7 42.7 3.1 30 31 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.863 120.6 37.7 -56.7 -53.7 32.6 46.4 3.0 31 32 A H H > S+ 0 0 107 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.889 120.5 49.0 -64.4 -38.9 29.9 46.6 0.3 32 33 A I H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 109.8 53.3 -62.0 -40.9 28.5 43.2 1.4 33 34 A G H X S+ 0 0 3 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.902 106.8 51.1 -60.6 -44.2 28.6 44.5 5.0 34 35 A A H X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.918 109.6 50.6 -61.9 -43.9 26.5 47.5 4.0 35 36 A L H X S+ 0 0 4 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.898 106.9 54.4 -57.2 -43.6 24.0 45.3 2.2 36 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.901 108.4 49.0 -58.0 -42.8 23.8 43.1 5.4 37 38 A E H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.923 114.0 46.0 -61.8 -46.0 22.9 46.2 7.4 38 39 A X H X S+ 0 0 78 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 113.1 48.3 -65.4 -46.6 20.3 47.3 5.0 39 40 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.875 111.7 51.8 -58.0 -42.2 18.8 43.8 4.7 40 41 A T H X S+ 0 0 18 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.907 110.8 46.8 -60.5 -47.5 18.7 43.6 8.5 41 42 A Y H X S+ 0 0 91 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 111.1 51.9 -62.3 -43.3 16.9 47.0 8.8 42 43 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 111.4 47.1 -60.6 -40.0 14.4 46.0 6.2 43 44 A R H X S+ 0 0 20 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 109.4 52.7 -70.4 -41.8 13.6 42.7 8.0 44 45 A L H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.880 111.8 47.4 -58.9 -41.2 13.3 44.4 11.4 45 46 A T H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.831 110.3 51.6 -74.3 -31.2 10.8 46.9 9.9 46 47 A T H X S+ 0 0 0 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.943 112.1 46.9 -63.9 -48.9 8.8 44.0 8.1 47 48 A L H >X S+ 0 0 56 -4,-2.7 4,-1.0 1,-0.2 3,-0.6 0.913 110.1 52.3 -63.4 -40.1 8.6 42.2 11.4 48 49 A Q H 3< S+ 0 0 110 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.896 103.9 59.1 -60.5 -37.1 7.5 45.3 13.3 49 50 A A H 3< S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.4 31.3 -62.7 -30.0 4.7 45.9 10.8 50 51 A V H X< S+ 0 0 1 -4,-1.1 3,-2.1 -3,-0.6 -1,-0.2 0.366 86.2 127.5-108.5 -2.3 3.1 42.5 11.5 51 52 A E T 3< S+ 0 0 122 -4,-1.0 -3,-0.0 -3,-0.5 -4,-0.0 -0.391 81.9 9.6 -63.2 130.1 4.0 42.2 15.2 52 53 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -2,-0.1 3,-0.0 0.505 86.8 161.6 80.5 5.0 0.9 41.4 17.3 53 54 A L < - 0 0 10 -3,-2.1 -1,-0.2 1,-0.1 2,-0.2 -0.389 46.9-113.6 -59.5 130.1 -1.3 40.8 14.2 54 55 A P > - 0 0 55 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.468 23.5-133.8 -61.8 130.6 -4.5 38.9 15.1 55 56 A E G > S+ 0 0 94 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.784 101.5 66.6 -67.2 -23.7 -4.2 35.6 13.3 56 57 A D G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.663 99.2 55.1 -68.6 -12.9 -7.7 35.7 11.9 57 58 A Q G X S+ 0 0 28 -3,-2.2 3,-1.1 1,-0.1 12,-0.4 0.461 79.1 97.8 -90.4 -6.5 -6.5 38.7 9.8 58 59 A L T < S+ 0 0 1 -3,-1.5 12,-3.1 -4,-0.3 13,-0.3 0.834 94.5 26.7 -57.8 -42.1 -3.6 36.9 8.2 59 60 A W T 3 S+ 0 0 79 -4,-0.3 -1,-0.3 -3,-0.2 9,-0.2 0.293 93.8 122.5-105.4 10.0 -5.3 35.9 4.9 60 61 A A < - 0 0 33 -3,-1.1 9,-0.5 7,-0.1 2,-0.2 -0.402 41.3-165.4 -73.8 143.0 -7.9 38.7 4.8 61 62 A T - 0 0 83 7,-0.1 5,-0.2 -2,-0.1 7,-0.1 -0.681 1.3-162.0-116.7 176.3 -8.0 41.1 1.8 62 63 A A B > -A 65 0A 18 3,-1.5 3,-2.6 -2,-0.2 2,-0.2 -0.955 42.5 -64.9-151.8 163.3 -9.6 44.5 1.3 63 64 A P T 3 S+ 0 0 133 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.418 127.9 14.9 -56.1 118.8 -10.7 46.7 -1.6 64 65 A G T 3 S+ 0 0 84 -2,-0.2 2,-0.5 0, 0.0 3,-0.1 0.191 112.0 89.3 96.1 -11.9 -7.4 47.8 -3.3 65 66 A F B < +A 62 0A 46 -3,-2.6 -3,-1.5 1,-0.1 109,-0.0 -0.772 41.6 164.4-123.6 86.4 -5.5 45.1 -1.5 66 67 A A + 0 0 89 -2,-0.5 2,-0.6 -5,-0.2 -1,-0.1 0.703 65.8 65.3 -72.8 -24.3 -5.5 41.9 -3.5 67 68 A N S S- 0 0 49 -3,-0.1 -1,-0.1 -5,-0.1 -7,-0.1 -0.916 79.2-142.1-109.3 120.1 -2.7 40.4 -1.6 68 69 A S > - 0 0 2 -2,-0.6 4,-2.4 -9,-0.2 5,-0.2 -0.144 31.3-100.5 -65.8 168.3 -3.2 39.6 2.1 69 70 A I H > S+ 0 0 2 -9,-0.5 4,-2.7 -12,-0.4 5,-0.2 0.924 125.8 50.2 -57.6 -44.2 -0.6 40.0 4.8 70 71 A G H > S+ 0 0 0 -12,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.909 109.2 50.6 -60.8 -43.0 0.2 36.3 4.7 71 72 A T H > S+ 0 0 31 -13,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.913 112.1 47.7 -60.1 -45.6 0.5 36.4 0.9 72 73 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.912 111.2 49.7 -65.6 -42.8 3.0 39.3 1.1 73 74 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.896 111.6 49.4 -62.2 -38.8 5.0 37.7 3.9 74 75 A A H X S+ 0 0 15 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.903 111.6 50.6 -62.5 -39.4 5.2 34.5 1.7 75 76 A H H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.916 106.0 53.5 -65.6 -47.7 6.3 36.7 -1.2 76 77 A I H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.933 114.0 42.4 -56.0 -48.1 9.1 38.4 0.7 77 78 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.892 113.1 53.2 -64.7 -40.9 10.6 35.1 1.7 78 79 A A H X S+ 0 0 6 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.856 103.2 55.7 -66.3 -37.3 10.1 33.6 -1.7 79 80 A V H X S+ 0 0 8 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.939 108.8 48.7 -61.2 -43.3 11.9 36.5 -3.5 80 81 A E H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.948 112.3 48.3 -58.9 -45.1 14.9 35.8 -1.2 81 82 A R H X S+ 0 0 74 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.883 110.2 52.5 -61.3 -43.2 14.7 32.0 -2.1 82 83 A V H X S+ 0 0 6 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.907 108.6 50.2 -58.2 -45.1 14.5 33.0 -5.8 83 84 A Y H X>S+ 0 0 34 -4,-2.5 4,-3.1 2,-0.2 5,-0.7 0.820 100.8 62.2 -70.3 -25.7 17.6 35.1 -5.5 84 85 A H H X>S+ 0 0 10 -4,-1.9 5,-1.6 3,-0.2 4,-1.6 0.933 110.1 42.9 -57.2 -43.4 19.5 32.2 -3.8 85 86 A V H <>S+ 0 0 11 -4,-1.4 6,-1.5 3,-0.2 5,-1.4 0.965 120.5 39.4 -66.8 -51.3 18.9 30.4 -7.1 86 87 A L H <5S+ 0 0 19 -4,-2.5 65,-0.5 4,-0.2 -2,-0.2 0.909 128.5 30.5 -64.7 -43.1 19.7 33.3 -9.4 87 88 A S H <5S+ 0 0 6 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.893 131.5 26.4 -88.1 -44.7 22.6 34.7 -7.4 88 89 A F T < - 0 0 34 -2,-0.3 4,-2.6 1,-0.1 8,-0.2 -0.968 37.9-120.0-133.5 156.5 11.2 27.8 -13.1 95 96 A P T 4 S+ 0 0 41 0, 0.0 4,-0.2 0, 0.0 7,-0.1 0.804 115.7 55.4 -63.3 -26.2 7.8 26.6 -11.8 96 97 A E T 4 S+ 0 0 150 2,-0.2 3,-0.3 1,-0.1 -3,-0.0 0.908 120.3 25.5 -68.3 -46.8 9.1 23.0 -12.5 97 98 A D T 4 S+ 0 0 113 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.752 134.7 31.7 -92.5 -25.5 12.3 23.3 -10.5 98 99 A D S X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.1 5,-0.2 -0.345 70.4 151.6-131.2 46.5 11.4 25.9 -7.9 99 100 A G H > S+ 0 0 11 -3,-0.3 13,-2.1 1,-0.2 4,-1.8 0.851 72.1 45.4 -55.6 -46.3 7.6 25.4 -7.4 100 101 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 116.4 45.3 -64.2 -47.9 7.3 26.6 -3.8 101 102 A A H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.896 111.0 55.0 -59.8 -40.5 9.4 29.7 -4.4 102 103 A Y H X S+ 0 0 49 -4,-2.8 4,-2.1 2,-0.2 8,-0.3 0.873 105.0 53.3 -63.5 -35.3 7.5 30.3 -7.6 103 104 A W H <>S+ 0 0 42 -4,-1.8 5,-3.1 9,-0.2 6,-0.3 0.949 113.0 42.7 -63.9 -51.8 4.1 30.2 -5.7 104 105 A G H ><5S+ 0 0 4 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.936 112.7 54.3 -55.7 -47.2 5.4 32.9 -3.2 105 106 A L H 3<5S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.878 112.3 43.2 -54.7 -43.4 6.9 34.9 -6.0 106 107 A T T ><5S- 0 0 27 -4,-2.1 3,-1.6 4,-0.2 -1,-0.3 0.152 115.7-106.7 -99.1 22.4 3.6 35.1 -8.0 107 108 A X T < 5S- 0 0 46 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.819 77.8 -55.9 54.6 34.8 1.3 35.8 -5.1 108 109 A G T 3 - 0 0 49 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.355 34.4 -99.5 -78.4 170.4 0.6 30.3 10.3 120 121 A L H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 126.3 51.9 -58.5 -42.5 2.1 33.7 11.1 121 122 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 109.9 48.5 -62.3 -38.1 4.8 31.9 13.1 122 123 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 109.1 52.9 -67.6 -38.9 5.7 29.6 10.2 123 124 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.909 111.1 46.7 -60.2 -45.0 5.8 32.6 7.9 124 125 A R H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.898 110.7 53.0 -66.2 -37.7 8.3 34.3 10.2 125 126 A A H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 109.4 48.4 -62.8 -41.3 10.3 31.1 10.5 126 127 A E H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.895 109.6 52.6 -67.6 -40.5 10.6 30.8 6.7 127 128 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.955 113.1 45.2 -53.2 -47.6 11.7 34.5 6.6 128 129 A A H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.875 112.1 50.9 -66.2 -41.3 14.4 33.8 9.1 129 130 A D H X S+ 0 0 92 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.907 110.6 48.6 -64.5 -44.2 15.5 30.6 7.4 130 131 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.929 112.8 48.5 -59.0 -46.7 15.8 32.3 4.0 131 132 A R H X S+ 0 0 19 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.873 105.2 58.6 -63.2 -39.3 17.8 35.1 5.6 132 133 A A H X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.889 106.6 48.7 -57.1 -39.3 20.1 32.6 7.4 133 134 A E H X S+ 0 0 57 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.890 108.9 52.6 -70.1 -39.7 21.1 31.1 4.0 134 135 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.923 111.6 45.4 -57.7 -49.9 21.8 34.6 2.5 135 136 A L H X S+ 0 0 11 -4,-2.4 4,-1.6 2,-0.2 -132,-0.3 0.824 108.5 57.5 -69.2 -33.2 24.1 35.5 5.4 136 137 A R H < S+ 0 0 155 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.959 113.2 39.7 -56.4 -54.1 25.9 32.1 5.2 137 138 A V H >X S+ 0 0 12 -4,-2.1 3,-1.6 1,-0.2 4,-0.7 0.905 108.8 59.7 -67.4 -43.6 26.8 32.7 1.6 138 139 A F H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -109,-0.3 0.861 99.7 58.8 -51.7 -37.2 27.6 36.4 2.0 139 140 A A T 3< S+ 0 0 27 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.732 104.9 51.4 -67.0 -19.8 30.3 35.4 4.5 140 141 A A T <4 S+ 0 0 79 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.583 104.3 70.1 -88.6 -14.3 32.0 33.3 1.7 141 142 A K << - 0 0 78 -3,-1.1 -112,-0.4 -4,-0.7 2,-0.2 -0.522 63.4-148.1-105.4 168.7 32.0 36.1 -0.9 142 143 A D > - 0 0 85 -2,-0.2 4,-1.3 -114,-0.1 3,-0.5 -0.734 38.0 -93.7-129.5-179.4 33.9 39.3 -1.4 143 144 A D H > S+ 0 0 37 1,-0.3 4,-1.2 -2,-0.2 15,-0.1 0.780 120.7 62.6 -73.2 -23.4 33.2 42.7 -3.0 144 145 A A H 4 S+ 0 0 69 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.905 103.0 51.2 -62.4 -39.2 34.7 41.6 -6.4 145 146 A W H >4 S+ 0 0 17 -3,-0.5 3,-1.8 1,-0.2 12,-0.3 0.894 102.6 59.8 -61.8 -40.3 31.9 38.9 -6.5 146 147 A L H 3< S+ 0 0 1 -4,-1.3 12,-2.1 1,-0.3 13,-0.2 0.832 101.9 54.5 -61.9 -26.5 29.3 41.6 -5.8 147 148 A A T 3< S+ 0 0 67 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.572 88.4 104.5 -80.6 -9.7 30.4 43.4 -9.0 148 149 A E S < S- 0 0 96 -3,-1.8 9,-2.4 -4,-0.3 10,-0.2 -0.463 76.6-110.0 -75.7 147.6 29.9 40.3 -11.2 149 150 A P B -B 156 0B 95 0, 0.0 7,-0.3 0, 0.0 -1,-0.1 -0.412 43.1 -97.3 -60.4 148.4 27.0 39.9 -13.6 150 151 A L > - 0 0 12 5,-2.7 3,-1.5 1,-0.1 5,-0.2 -0.327 31.4-116.5 -56.6 146.5 24.5 37.2 -12.5 151 152 A G T 3 S+ 0 0 63 -65,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.946 118.9 46.4 -55.0 -49.4 25.1 33.9 -14.3 152 153 A P T 3 S- 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -65,-0.1 0.488 113.5-138.2 -73.2 1.6 21.6 34.2 -16.0 153 154 A G < + 0 0 25 -3,-1.5 -2,-0.1 2,-0.2 3,-0.0 -0.085 69.5 97.2 81.1-179.4 22.5 37.8 -16.9 154 155 A W S S+ 0 0 261 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.1 0.358 90.7 32.2 82.8 -1.5 20.7 41.1 -17.0 155 156 A A S S- 0 0 30 -5,-0.2 -5,-2.7 4,-0.0 2,-0.2 -0.963 77.0-110.4-164.9 167.2 21.9 42.4 -13.6 156 157 A N B > -B 149 0B 61 -2,-0.3 4,-2.3 -7,-0.3 5,-0.1 -0.661 32.4-108.5-105.3 168.4 24.8 42.3 -11.3 157 158 A Q H > S+ 0 0 7 -9,-2.4 4,-2.1 -12,-0.3 5,-0.3 0.890 118.0 55.8 -58.7 -39.1 25.1 40.7 -7.9 158 159 A H H > S+ 0 0 63 -12,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.943 110.7 43.9 -62.3 -48.7 25.1 44.1 -6.1 159 160 A W H > S+ 0 0 108 -13,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.902 108.8 58.5 -59.7 -43.9 21.8 45.0 -7.7 160 161 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 111.2 40.3 -55.2 -46.3 20.2 41.6 -7.1 161 162 A W H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.859 113.6 53.4 -78.0 -35.0 20.7 41.8 -3.3 162 163 A F H X S+ 0 0 87 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.911 108.9 52.2 -52.8 -46.4 19.7 45.5 -3.2 163 164 A H H X S+ 0 0 36 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.870 103.6 54.8 -65.3 -40.5 16.5 44.4 -5.1 164 165 A V H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.931 114.8 42.3 -56.8 -44.4 15.7 41.7 -2.5 165 166 A X H X S+ 0 0 24 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.945 115.6 48.0 -65.0 -50.3 15.9 44.5 0.2 166 167 A E H X S+ 0 0 67 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.894 110.0 51.1 -65.3 -41.8 14.0 47.1 -1.9 167 168 A D H X S+ 0 0 26 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.899 107.5 54.1 -66.4 -36.8 11.2 44.8 -2.8 168 169 A E H X S+ 0 0 3 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.935 110.4 46.5 -55.2 -48.2 10.7 43.8 0.9 169 170 A V H X S+ 0 0 48 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.896 109.0 55.9 -64.3 -41.3 10.4 47.5 1.8 170 171 A N H X S+ 0 0 74 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.942 113.2 40.3 -53.7 -49.7 8.0 48.1 -1.1 171 172 A H H X S+ 0 0 15 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.821 108.2 60.7 -76.0 -28.8 5.7 45.4 0.2 172 173 A R H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.880 100.6 56.3 -64.5 -31.4 6.2 46.4 3.8 173 174 A G H X S+ 0 0 32 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.913 110.2 45.4 -62.0 -38.7 4.7 49.8 2.8 174 175 A Q H X S+ 0 0 73 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.914 109.3 54.8 -67.5 -44.1 1.6 47.9 1.5 175 176 A L H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.881 103.5 56.7 -57.5 -43.5 1.5 45.8 4.7 176 177 A R H X S+ 0 0 115 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.914 111.6 41.5 -56.6 -46.7 1.4 48.9 6.8 177 178 A L H X S+ 0 0 91 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.905 113.9 51.5 -70.1 -41.3 -1.7 50.2 5.0 178 179 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.924 108.4 50.8 -62.6 -44.6 -3.5 46.8 4.9 179 180 A R H X S+ 0 0 63 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.910 109.7 51.6 -59.6 -40.4 -3.0 46.1 8.6 180 181 A Q H < S+ 0 0 145 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.891 110.5 48.4 -64.6 -39.6 -4.5 49.6 9.3 181 182 A V H < S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.904 118.5 39.3 -62.1 -42.8 -7.6 48.8 7.1 182 183 A L H < 0 0 46 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.684 360.0 360.0 -82.1 -19.4 -8.2 45.4 8.8 183 184 A A < 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.0 -0.762 360.0 360.0-140.1 360.0 -7.4 46.4 12.3