==== 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 LYASE 01-FEB-06 2FW8 . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR C.M.STARKS,T.J.KAPPOCK . 319 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 0 4 0 2 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 5 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 20 A S 0 0 160 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -51.0 7.4 47.7 -124.8 2 21 A A - 0 0 68 1,-0.1 31,-0.0 29,-0.1 55,-0.0 -0.483 360.0-101.5 -70.0 137.1 8.5 45.3 -127.5 3 22 A P + 0 0 39 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.310 36.3 178.3 -62.8 139.3 12.1 45.8 -128.6 4 23 A V S S+ 0 0 39 27,-2.6 55,-3.0 1,-0.2 56,-1.4 0.427 72.0 48.1-116.8 -8.4 12.7 47.7 -131.8 5 24 A V E -ab 32 60A 0 26,-0.9 28,-1.8 53,-0.2 2,-0.5 -1.000 68.9-156.3-134.2 134.9 16.5 47.6 -131.6 6 25 A G E -ab 33 61A 0 54,-2.2 56,-3.3 -2,-0.4 2,-0.6 -0.954 2.0-162.5-114.4 127.8 18.6 44.5 -131.0 7 26 A I E +ab 34 62A 0 26,-3.0 28,-2.9 -2,-0.5 2,-0.3 -0.950 18.1 175.5-107.8 119.3 22.1 44.8 -129.6 8 27 A I E -ab 35 63A 0 54,-3.0 56,-2.5 -2,-0.6 2,-0.3 -0.935 7.5-175.7-126.0 149.4 24.1 41.6 -130.1 9 28 A M E -ab 36 64A 4 26,-1.3 28,-2.4 -2,-0.3 56,-0.2 -0.986 33.7-121.1-143.3 152.1 27.8 40.8 -129.3 10 29 A G S S- 0 0 14 54,-1.6 2,-0.3 -2,-0.3 31,-0.1 0.775 86.2 -13.6 -63.6 -30.5 30.1 37.9 -129.8 11 30 A S S > S- 0 0 35 26,-0.1 3,-2.0 1,-0.1 4,-0.5 -0.985 71.1 -89.7-164.1 171.5 30.9 37.4 -126.1 12 31 A Q G > S+ 0 0 128 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.814 118.5 66.9 -57.5 -31.7 30.8 38.7 -122.5 13 32 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.701 94.8 57.6 -64.8 -18.7 34.2 40.3 -123.2 14 33 A D G X> S+ 0 0 11 -3,-2.0 4,-2.9 1,-0.2 3,-1.2 0.643 85.0 82.8 -85.1 -15.3 32.4 42.7 -125.6 15 34 A W H <> S+ 0 0 81 -3,-1.4 4,-2.6 -4,-0.5 5,-0.2 0.866 78.3 64.3 -57.2 -40.9 30.0 43.9 -123.0 16 35 A E H 34 S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.834 116.6 32.4 -53.2 -30.2 32.5 46.5 -121.6 17 36 A T H X4 S+ 0 0 18 -3,-1.2 3,-1.3 -4,-0.2 4,-0.3 0.881 119.0 48.9 -92.4 -48.3 32.2 48.1 -125.0 18 37 A M H >X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.3 3,-1.2 0.681 91.1 79.3 -69.8 -17.3 28.6 47.4 -126.0 19 38 A R H 3X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.3 -1,-0.3 0.771 85.7 63.8 -61.4 -23.5 27.2 48.5 -122.7 20 39 A H H <> S+ 0 0 53 -3,-1.3 4,-1.5 -5,-0.2 -1,-0.3 0.820 101.3 48.6 -70.3 -30.2 27.6 52.1 -124.0 21 40 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.3 -2,-0.2 0.900 111.6 50.8 -73.6 -40.9 25.1 51.3 -126.8 22 41 A D H X S+ 0 0 42 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.941 109.2 50.1 -60.0 -50.0 22.7 49.9 -124.2 23 42 A A H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.871 110.4 50.2 -57.7 -40.6 22.9 52.9 -122.0 24 43 A L H X S+ 0 0 6 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.924 109.8 48.8 -67.6 -44.5 22.2 55.3 -124.8 25 44 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 -1,-0.2 0.898 113.0 48.4 -62.7 -39.0 19.1 53.5 -126.1 26 45 A T H ><5S+ 0 0 82 -4,-2.2 3,-1.5 3,-0.2 -1,-0.2 0.912 107.9 55.7 -65.9 -41.0 17.8 53.4 -122.5 27 46 A E H 3<5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.894 112.2 41.8 -57.5 -42.0 18.6 57.1 -122.2 28 47 A L T 3<5S- 0 0 5 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.343 115.7-118.0 -88.6 6.8 16.4 57.9 -125.2 29 48 A E T < 5 + 0 0 137 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.907 56.9 158.2 56.5 48.0 13.8 55.4 -124.0 30 49 A I < - 0 0 6 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 43.0-125.5-103.7 114.0 14.2 53.1 -127.1 31 50 A P + 0 0 49 0, 0.0 -27,-2.6 0, 0.0 -26,-0.9 -0.367 48.2 152.0 -59.3 131.3 12.9 49.6 -126.3 32 51 A H E -a 5 0A 39 -29,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.967 40.1-128.7-156.0 168.8 15.6 47.1 -127.0 33 52 A E E -a 6 0A 44 -28,-1.8 -26,-3.0 -2,-0.3 2,-0.5 -0.935 15.0-153.7-123.2 147.4 17.1 43.7 -126.2 34 53 A T E +a 7 0A 46 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.976 27.2 159.3-126.4 117.4 20.7 43.0 -125.4 35 54 A L E -a 8 0A 68 -28,-2.9 -26,-1.3 -2,-0.5 2,-0.6 -0.877 41.2-120.3-136.9 165.4 22.1 39.5 -126.2 36 55 A I E +a 9 0A 62 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.939 36.5 165.4-106.9 124.0 25.2 37.5 -126.8 37 56 A V - 0 0 2 -28,-2.4 2,-0.6 -2,-0.6 -26,-0.1 -0.945 19.5-157.4-141.8 114.9 25.2 35.8 -130.1 38 57 A S > - 0 0 15 -2,-0.4 4,-1.9 1,-0.2 8,-0.3 -0.859 10.1-161.7-100.6 122.2 28.5 34.4 -131.5 39 58 A A T 4 S+ 0 0 16 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.894 96.1 37.9 -65.4 -37.6 28.8 34.0 -135.3 40 59 A H T 4 S+ 0 0 139 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.838 127.9 29.7 -83.8 -36.4 31.7 31.6 -134.7 41 60 A R T 4 S+ 0 0 215 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.721 134.3 27.3 -96.9 -25.8 30.7 29.7 -131.6 42 61 A T X + 0 0 31 -4,-1.9 4,-1.9 1,-0.1 3,-0.3 -0.426 68.7 154.8-133.2 60.7 26.9 29.8 -132.0 43 62 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.864 76.2 49.6 -56.2 -40.7 26.3 30.1 -135.8 44 63 A D H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.845 107.4 54.7 -69.9 -32.0 22.8 28.5 -135.7 45 64 A R H > S+ 0 0 133 -3,-0.3 4,-2.5 -7,-0.2 -1,-0.2 0.900 111.1 46.3 -65.6 -39.7 21.8 30.9 -132.9 46 65 A L H X S+ 0 0 1 -4,-1.9 4,-3.1 -8,-0.3 5,-0.3 0.918 109.6 53.4 -68.2 -44.2 22.8 33.8 -135.1 47 66 A A H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.939 113.7 43.2 -55.7 -48.5 21.1 32.3 -138.2 48 67 A D H X S+ 0 0 95 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.927 114.9 49.4 -63.6 -47.1 17.8 32.1 -136.2 49 68 A Y H X S+ 0 0 14 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.951 115.8 41.8 -57.7 -52.9 18.2 35.5 -134.5 50 69 A A H < S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.892 113.8 48.5 -66.4 -43.6 19.0 37.3 -137.8 51 70 A R H < S+ 0 0 135 -4,-2.4 4,-0.3 -5,-0.3 -1,-0.2 0.824 118.8 40.5 -71.1 -24.9 16.4 35.7 -140.1 52 71 A T H X S+ 0 0 28 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.499 87.7 96.2 -98.4 -4.6 13.6 36.2 -137.5 53 72 A A T <>S+ 0 0 0 -4,-0.8 5,-2.1 -3,-0.4 4,-0.3 0.911 85.9 45.7 -50.3 -52.7 14.6 39.7 -136.4 54 73 A A T >45S+ 0 0 54 -4,-0.5 3,-1.7 1,-0.2 -1,-0.2 0.914 111.4 52.1 -59.3 -46.1 12.2 41.5 -138.8 55 74 A E T 345S+ 0 0 164 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 105.7 56.1 -58.8 -36.3 9.2 39.2 -137.9 56 75 A R T 3<5S- 0 0 95 -4,-2.1 -1,-0.3 -3,-0.1 -2,-0.2 0.496 124.6-102.8 -76.2 -4.3 9.8 39.9 -134.2 57 76 A G T < 5 + 0 0 34 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.464 69.4 148.6 98.7 0.5 9.5 43.6 -134.8 58 77 A L < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -53,-0.2 -0.425 23.2-176.8 -69.1 145.8 13.1 44.6 -134.7 59 78 A N + 0 0 31 -55,-3.0 2,-0.3 1,-0.4 -54,-0.2 0.666 67.8 20.0-112.0 -31.8 13.9 47.6 -136.9 60 79 A V E -b 5 0A 0 -56,-1.4 -54,-2.2 21,-0.1 2,-0.4 -0.997 62.2-152.5-142.7 144.0 17.7 47.9 -136.4 61 80 A I E -bc 6 83A 0 21,-2.1 23,-3.0 -2,-0.3 2,-0.6 -0.973 3.6-161.7-120.1 131.6 20.4 45.6 -135.2 62 81 A I E -bc 7 84A 0 -56,-3.3 -54,-3.0 -2,-0.4 2,-0.5 -0.967 15.5-173.1-111.5 118.4 23.6 46.8 -133.6 63 82 A A E -bc 8 85A 0 21,-3.1 23,-2.7 -2,-0.6 2,-0.4 -0.957 4.7-172.3-119.9 128.7 26.3 44.1 -133.6 64 83 A G E +bc 9 86A 0 -56,-2.5 -54,-1.6 -2,-0.5 2,-0.3 -0.938 16.6 143.3-121.5 141.7 29.7 44.3 -131.9 65 84 A A E - c 0 87A 7 21,-1.8 23,-2.5 -2,-0.4 2,-0.3 -0.975 29.4-135.1-166.0 159.2 32.6 41.9 -132.1 66 85 A G E + c 0 88A 30 -2,-0.3 2,-0.2 21,-0.2 4,-0.2 -0.775 63.7 8.5-121.4 167.8 36.4 42.0 -132.2 67 86 A G S S+ 0 0 15 21,-0.5 2,-2.9 -2,-0.3 34,-0.3 -0.478 134.7 6.4 69.1-135.2 39.3 40.4 -134.1 68 87 A A S S- 0 0 72 -2,-0.2 2,-1.3 1,-0.1 -1,-0.2 -0.505 91.1-169.7 -78.1 71.0 38.0 38.5 -137.2 69 88 A A + 0 0 4 -2,-2.9 4,-0.4 28,-0.2 -2,-0.1 -0.535 24.4 158.5 -71.3 92.3 34.6 39.9 -136.3 70 89 A G > + 0 0 23 -2,-1.3 4,-2.4 -4,-0.2 5,-0.3 0.546 49.7 90.6 -92.7 -7.0 32.2 38.1 -138.6 71 90 A L H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 85.9 45.2 -56.2 -54.0 29.1 38.7 -136.5 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.946 115.9 46.9 -57.8 -47.9 27.9 42.0 -138.1 73 92 A G H > S+ 0 0 11 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.904 114.1 45.7 -60.9 -44.6 28.4 40.7 -141.6 74 93 A M H X S+ 0 0 82 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.842 110.4 54.3 -70.0 -31.8 26.7 37.4 -141.1 75 94 A C H >X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.3 3,-0.9 0.956 109.5 48.1 -64.4 -46.2 23.8 39.1 -139.3 76 95 A A H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 103.3 63.8 -62.8 -28.0 23.4 41.3 -142.3 77 96 A A H 3< S+ 0 0 39 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 110.4 36.7 -65.5 -32.3 23.5 38.3 -144.5 78 97 A W H << S+ 0 0 78 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.2 0.571 112.5 59.3 -98.4 -13.3 20.3 36.9 -143.0 79 98 A T < - 0 0 5 -4,-1.1 -28,-0.1 2,-0.1 4,-0.1 -0.877 57.9-151.6-121.2 153.7 18.3 40.0 -142.4 80 99 A R S S+ 0 0 63 -2,-0.3 -1,-0.1 -30,-0.2 3,-0.1 0.542 72.5 103.8 -91.6 -10.8 16.9 42.8 -144.6 81 100 A L S S- 0 0 17 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.279 88.7 -90.2 -70.1 156.3 17.1 45.1 -141.6 82 101 A P - 0 0 1 0, 0.0 -21,-2.1 0, 0.0 2,-0.5 -0.493 42.9-155.7 -68.2 131.6 19.8 47.8 -141.3 83 102 A V E -c 61 0A 2 27,-0.3 29,-2.5 -2,-0.2 2,-0.4 -0.956 5.8-163.5-115.2 126.7 22.8 46.3 -139.5 84 103 A L E -cd 62 112A 1 -23,-3.0 -21,-3.1 -2,-0.5 2,-0.4 -0.910 11.4-148.7-108.4 133.0 25.2 48.6 -137.7 85 104 A G E -cd 63 113A 0 27,-2.4 29,-2.5 -2,-0.4 -21,-0.2 -0.861 10.1-162.8-112.0 139.2 28.6 47.3 -136.7 86 105 A V E -c 64 0A 0 -23,-2.7 -21,-1.8 -2,-0.4 2,-0.6 -0.952 16.6-142.3-116.5 114.1 30.8 48.1 -133.7 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.8 0, 0.0 2,-0.4 -0.654 18.7-144.9 -76.5 117.5 34.5 47.1 -133.9 88 107 A V E -c 66 0A 8 -23,-2.5 -21,-0.5 -2,-0.6 10,-0.2 -0.682 25.8-104.3 -84.3 136.0 35.5 46.0 -130.4 89 108 A E - 0 0 113 -2,-0.4 2,-0.3 -23,-0.1 -1,-0.1 -0.363 36.8-147.0 -61.3 131.0 39.1 46.9 -129.6 90 109 A S > - 0 0 21 1,-0.1 4,-0.9 -2,-0.1 6,-0.1 -0.704 16.6-118.9 -99.4 154.5 41.3 43.8 -129.7 91 110 A R T 4 S+ 0 0 222 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.952 104.1 24.6 -56.3 -59.2 44.3 43.2 -127.4 92 111 A A T 4 S+ 0 0 78 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.977 131.1 32.9 -75.1 -58.7 47.1 43.0 -130.0 93 112 A L T >4 S- 0 0 104 1,-0.1 3,-2.3 2,-0.0 -1,-0.2 0.269 97.1-126.9 -88.4 12.6 45.9 45.0 -133.1 94 113 A K T 3< S- 0 0 129 -4,-0.9 -3,-0.1 1,-0.3 -5,-0.1 0.738 70.4 -53.5 51.0 31.6 43.8 47.6 -131.2 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-3.0 21,-0.0 -1,-0.3 0.489 109.3 116.4 87.0 1.3 40.7 46.9 -133.2 96 115 A M H <> S+ 0 0 67 -3,-2.3 4,-2.3 2,-0.2 5,-0.2 0.882 83.8 45.4 -69.4 -36.1 42.3 47.4 -136.6 97 116 A D H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -28,-0.2 0.916 113.3 50.3 -70.1 -40.7 41.5 43.8 -137.3 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.930 111.8 49.1 -60.3 -46.2 38.0 44.3 -135.9 99 118 A L H >X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 3,-1.0 0.946 113.1 43.2 -60.5 -52.8 37.5 47.4 -138.1 100 119 A L H 3X S+ 0 0 67 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.865 110.3 57.5 -64.5 -33.8 38.6 45.9 -141.4 101 120 A S H 3< S+ 0 0 53 -4,-2.2 -1,-0.2 -34,-0.3 -28,-0.2 0.658 118.5 32.3 -70.1 -16.3 36.6 42.7 -140.7 102 121 A I H << S+ 0 0 1 -3,-1.0 3,-0.4 -4,-0.7 -2,-0.2 0.804 120.6 43.1-106.9 -46.3 33.4 44.7 -140.3 103 122 A V H < S+ 0 0 1 -4,-3.0 2,-1.5 1,-0.2 171,-0.2 0.852 97.3 72.4 -74.5 -34.2 33.7 47.7 -142.6 104 123 A Q < + 0 0 82 -4,-1.4 -1,-0.2 -5,-0.4 -4,-0.1 -0.104 64.9 156.2 -78.3 42.5 35.1 46.0 -145.7 105 124 A M - 0 0 26 -2,-1.5 169,-0.3 -3,-0.4 177,-0.1 -0.483 46.1-115.0 -69.0 132.4 31.9 44.2 -146.6 106 125 A P > - 0 0 95 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.295 47.1 -77.3 -65.2 155.0 31.7 43.3 -150.3 107 126 A G T 3 S+ 0 0 27 1,-0.2 172,-0.1 3,-0.0 171,-0.1 -0.229 114.7 43.5 -55.1 137.7 29.0 45.0 -152.4 108 127 A G T 3 S+ 0 0 0 170,-0.3 -1,-0.2 -3,-0.1 201,-0.1 -0.003 105.5 57.4 118.2 -30.2 25.5 43.6 -151.8 109 128 A V S < S- 0 0 31 -3,-1.4 2,-0.1 2,-0.0 -32,-0.1 -0.857 74.9-160.1-136.8 98.8 25.4 43.1 -148.0 110 129 A P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 -27,-0.3 -0.427 17.6-174.3 -85.4 155.2 26.0 46.3 -146.0 111 130 A V - 0 0 1 -8,-0.2 2,-0.9 -2,-0.1 -27,-0.2 -0.941 24.1-138.3-142.4 115.0 27.1 46.9 -142.5 112 131 A G E -d 84 0A 0 -29,-2.5 -27,-2.4 -2,-0.4 2,-0.3 -0.704 30.7-151.9 -77.6 109.3 27.1 50.6 -141.3 113 132 A T E -dE 85 272A 0 159,-2.9 159,-2.8 -2,-0.9 -27,-0.2 -0.668 13.7-166.4 -94.2 138.1 30.3 50.7 -139.3 114 133 A L - 0 0 2 -29,-2.5 6,-0.2 -2,-0.3 149,-0.1 -0.495 38.7 -63.4-107.6 179.7 31.1 53.0 -136.4 115 134 A A - 0 0 4 149,-0.2 -1,-0.2 147,-0.2 5,-0.2 -0.137 60.7 -88.0 -63.9 158.5 34.4 53.8 -134.6 116 135 A I S S- 0 0 27 -30,-0.1 3,-0.4 4,-0.1 4,-0.2 -0.445 88.2 -8.0 -66.1 133.2 36.5 51.3 -132.8 117 136 A G S >> S- 0 0 7 -30,-2.8 4,-1.8 1,-0.2 3,-0.7 -0.338 117.1 -14.4 88.2-162.4 35.5 51.0 -129.1 118 137 A A H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.842 129.4 56.4 -51.7 -42.8 33.1 52.7 -126.7 119 138 A S H 3> S+ 0 0 53 -3,-0.4 4,-2.5 1,-0.2 148,-0.3 0.886 108.0 49.5 -59.6 -39.1 32.6 55.7 -129.0 120 139 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.2 -1,-0.2 0.874 109.0 50.8 -68.1 -38.2 31.5 53.4 -131.7 121 140 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.931 112.5 47.1 -65.4 -44.3 29.0 51.6 -129.5 122 141 A K H X S+ 0 0 71 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.938 113.8 47.8 -62.1 -45.8 27.5 54.9 -128.4 123 142 A N H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.787 105.1 58.6 -68.1 -26.8 27.3 56.1 -131.9 124 143 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 108.7 46.3 -67.1 -40.0 25.7 52.9 -133.2 125 144 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.896 113.7 48.1 -67.5 -40.5 22.9 53.5 -130.7 126 145 A L H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.889 112.0 49.3 -66.8 -39.4 22.6 57.2 -131.8 127 146 A L H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.916 111.1 49.8 -66.2 -40.9 22.6 56.2 -135.4 128 147 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.916 110.7 51.2 -62.4 -40.8 19.9 53.6 -134.6 129 148 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 107.2 51.9 -62.4 -43.1 18.0 56.4 -132.9 130 149 A S H < S+ 0 0 11 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.809 110.5 50.3 -64.6 -28.4 18.3 58.7 -135.9 131 150 A I H >< S+ 0 0 1 -4,-1.6 3,-1.3 2,-0.2 4,-0.3 0.951 112.4 44.4 -72.6 -51.3 16.9 55.9 -138.0 132 151 A L H >< S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.834 104.1 66.3 -61.8 -33.0 13.9 55.3 -135.8 133 152 A A G >< S+ 0 0 17 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.718 83.5 75.5 -62.4 -21.7 13.3 59.0 -135.4 134 153 A L G < S+ 0 0 40 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.758 114.4 19.1 -63.0 -24.5 12.4 59.1 -139.1 135 154 A Y G < S+ 0 0 70 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.185 114.3 73.0-132.9 18.8 9.1 57.6 -138.3 136 155 A N <> - 0 0 66 -3,-0.5 4,-2.5 -4,-0.3 5,-0.2 -0.829 55.9-171.1-135.9 93.7 8.6 58.2 -134.6 137 156 A P H > S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.859 85.2 51.3 -52.2 -45.3 7.9 61.9 -133.8 138 157 A A H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.938 113.6 44.2 -61.3 -47.6 8.2 61.6 -130.0 139 158 A L H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 108.6 58.6 -64.0 -39.5 11.6 60.0 -130.3 140 159 A A H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.900 106.8 48.4 -57.2 -40.0 12.7 62.5 -132.9 141 160 A A H X S+ 0 0 58 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.889 110.6 49.8 -68.4 -38.8 12.0 65.2 -130.4 142 161 A R H X S+ 0 0 76 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.867 111.2 49.9 -67.9 -34.7 14.0 63.4 -127.7 143 162 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.894 108.3 52.6 -69.3 -39.8 16.9 62.9 -130.1 144 163 A E H X S+ 0 0 82 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.925 110.8 48.1 -60.1 -44.1 16.8 66.6 -131.1 145 164 A T H X S+ 0 0 93 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.913 110.8 51.1 -63.0 -42.4 17.0 67.5 -127.4 146 165 A W H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 113.9 43.1 -60.6 -49.7 19.9 65.0 -126.9 147 166 A R H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.885 114.2 51.9 -64.0 -39.4 21.9 66.5 -129.8 148 167 A A H X S+ 0 0 38 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.3 47.6 -64.5 -42.0 21.0 70.0 -128.7 149 168 A L H X S+ 0 0 108 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.887 109.4 54.2 -67.2 -38.8 22.2 69.4 -125.1 150 169 A Q H X S+ 0 0 48 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.950 113.1 42.7 -58.8 -49.1 25.4 67.8 -126.4 151 170 A T H >< S+ 0 0 92 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.914 115.8 47.5 -63.8 -45.4 26.2 70.9 -128.4 152 171 A A H 3< S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 107.3 58.3 -69.0 -26.3 25.2 73.3 -125.7 153 172 A S H 3< S+ 0 0 71 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.567 73.0 113.0 -82.9 -10.5 27.2 71.5 -123.0 154 173 A V S << S- 0 0 94 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.486 72.0-121.2 -65.7 124.4 30.6 71.7 -124.7 155 174 A P - 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0 0 5 -169,-0.3 5,-0.2 -171,-0.2 -1,-0.2 -0.123 61.3 -87.3 -62.5 157.5 33.8 49.8 -147.4 275 135 B I S S- 0 0 30 -30,-0.1 3,-0.4 4,-0.1 4,-0.2 -0.424 88.6 -9.9 -65.1 134.2 36.4 51.7 -149.3 276 136 B G S >> S- 0 0 6 -30,-2.9 4,-1.8 1,-0.2 3,-0.8 -0.289 118.0 -12.2 84.2-162.1 35.4 52.3 -152.9 277 137 B A H 3> S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.816 129.3 55.9 -49.3 -42.0 32.7 51.2 -155.3 278 138 B S H 3> S+ 0 0 52 -3,-0.4 4,-2.5 1,-0.2 -170,-0.3 0.890 108.1 49.5 -61.3 -39.2 31.5 48.4 -152.9 279 139 B G H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.2 -1,-0.2 0.880 109.5 50.7 -67.4 -38.8 31.0 51.0 -150.2 280 140 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.928 112.7 46.1 -64.8 -45.2 29.0 53.3 -152.4 281 141 B K H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 114.6 47.7 -63.6 -44.1 26.7 50.5 -153.5 282 142 B N H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.798 105.3 58.7 -68.4 -27.8 26.3 49.3 -149.9 283 143 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 108.7 46.1 -66.3 -39.7 25.6 52.9 -148.7 284 144 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.895 113.2 48.9 -68.1 -40.7 22.7 53.0 -151.1 285 145 B L H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.875 111.8 49.1 -66.8 -37.0 21.5 49.5 -150.0 286 146 B L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.920 111.2 49.3 -68.1 -42.4 21.8 50.5 -146.3 287 147 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.916 110.8 51.8 -60.9 -42.2 19.9 53.7 -147.0 288 148 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 107.3 51.1 -60.7 -43.4 17.3 51.5 -148.8 289 149 B S H < S+ 0 0 8 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.783 110.6 50.4 -66.3 -27.0 17.0 49.2 -145.8 290 150 B I H >< S+ 0 0 1 -4,-1.5 3,-1.1 -3,-0.2 4,-0.3 0.934 112.7 44.7 -74.1 -49.2 16.4 52.2 -143.6 291 151 B L H >< S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.3 4,-0.2 0.825 103.9 65.4 -64.1 -32.4 13.7 53.7 -145.8 292 152 B A G >< S+ 0 0 17 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.715 83.0 77.9 -64.3 -20.0 12.1 50.2 -146.1 293 153 B L G < S+ 0 0 39 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.768 113.3 18.6 -61.3 -25.4 11.3 50.3 -142.4 294 154 B Y G < S+ 0 0 71 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.130 114.2 73.9-133.7 21.5 8.4 52.6 -143.2 295 155 B N <> - 0 0 66 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 -0.825 55.3-171.6-137.8 92.9 7.7 52.1 -146.9 296 156 B P H > S+ 0 0 108 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.852 86.1 53.2 -52.7 -42.9 6.0 48.8 -147.6 297 157 B A H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.936 113.2 43.0 -61.5 -47.0 6.4 49.0 -151.4 298 158 B L H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 109.4 58.1 -65.5 -40.3 10.1 49.7 -151.1 299 159 B A H X S+ 0 0 35 -4,-2.7 4,-2.4 -7,-0.3 -1,-0.2 0.902 107.5 48.3 -56.2 -41.0 10.4 47.0 -148.5 300 160 B A H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.904 111.3 48.8 -66.8 -42.3 9.0 44.5 -151.0 301 161 B R H X S+ 0 0 66 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.886 112.7 48.5 -65.3 -38.3 11.4 45.7 -153.8 302 162 B L H X S+ 0 0 4 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.917 109.8 51.7 -67.2 -43.4 14.4 45.4 -151.4 303 163 B E H X S+ 0 0 86 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.931 111.3 48.2 -57.2 -46.5 13.3 41.9 -150.4 304 164 B T H X S+ 0 0 94 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.897 112.0 49.6 -61.2 -42.0 13.1 40.9 -154.0 305 165 B W H X S+ 0 0 29 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 45.1 -64.5 -46.8 16.5 42.5 -154.7 306 166 B R H X S+ 0 0 16 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.901 114.1 49.6 -64.7 -41.5 18.2 40.6 -151.8 307 167 B A H X S+ 0 0 40 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.886 110.8 50.0 -65.2 -38.8 16.5 37.4 -152.7 308 168 B L H X S+ 0 0 106 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.899 107.5 53.8 -67.1 -40.1 17.6 37.7 -156.3 309 169 B Q H < S+ 0 0 51 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.934 112.0 45.3 -58.7 -45.8 21.2 38.4 -155.3 310 170 B T H >< S+ 0 0 91 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.926 114.0 47.6 -64.1 -46.0 21.1 35.2 -153.2 311 171 B A H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.731 107.4 59.1 -69.1 -21.1 19.5 33.1 -155.9 312 172 B S T 3< S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.520 73.7 111.6 -87.7 -7.0 21.9 34.4 -158.6 313 173 B V S < S- 0 0 95 -3,-1.0 -3,-0.0 -4,-0.5 -4,-0.0 -0.539 72.2-121.0 -70.6 125.9 25.2 33.3 -156.9 314 174 B P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.281 7.5-138.9 -65.2 152.7 26.7 30.5 -159.1 315 175 B N S S+ 0 0 176 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.742 83.3 21.3 -85.0 -24.0 27.3 27.1 -157.5 316 176 B S S S- 0 0 87 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.989 81.3-109.8-143.9 152.3 30.7 26.6 -159.1 317 177 B P - 0 0 95 0, 0.0 2,-1.3 0, 0.0 -2,-0.0 -0.404 36.7-106.3 -78.2 157.0 33.4 28.7 -160.7 318 178 B I - 0 0 158 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.752 41.5-177.4 -83.6 99.6 34.2 28.6 -164.4 319 179 B T 0 0 128 -2,-1.3 -1,-0.2 0, 0.0 0, 0.0 0.285 360.0 360.0 -84.8 8.5 37.4 26.6 -164.1 320 180 B E 0 0 223 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.057 360.0 360.0 -61.3 360.0 38.2 26.7 -167.8