==== 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 14-JUL-04 1U11 . COMPND 2 MOLECULE: PURE (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUT . SOURCE 2 ORGANISM_SCIENTIFIC: ACETOBACTER ACETI; . AUTHOR E.C.SETTEMBRE,J.R.CHITTULURU,C.P.MILL,T.J.KAPPOCK,S.E.EALICK . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 13.7 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 . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 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 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 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 0 157 0, 0.0 31,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -29.2 7.2 47.1 -125.3 2 21 A A - 0 0 70 1,-0.1 2,-0.1 29,-0.1 31,-0.0 -0.351 360.0 -98.7 -61.5 139.1 8.2 44.6 -127.9 3 22 A P + 0 0 30 0, 0.0 29,-0.3 0, 0.0 -1,-0.1 -0.336 37.5 178.0 -63.8 137.4 11.9 45.1 -129.0 4 23 A V S S+ 0 0 39 27,-2.6 55,-3.1 1,-0.2 56,-1.5 0.441 72.3 47.9-114.5 -9.4 12.5 47.0 -132.2 5 24 A V E -ab 32 60A 0 26,-0.9 28,-1.9 53,-0.2 2,-0.5 -0.998 68.6-156.3-133.3 136.2 16.3 46.9 -132.0 6 25 A G E -ab 33 61A 0 54,-2.2 56,-3.0 -2,-0.4 2,-0.6 -0.964 2.4-162.2-115.7 124.0 18.4 43.8 -131.3 7 26 A I E +ab 34 62A 0 26,-3.1 28,-3.0 -2,-0.5 2,-0.4 -0.930 17.6 176.9-103.8 117.9 21.9 44.2 -129.9 8 27 A I E -ab 35 63A 0 54,-3.0 56,-2.3 -2,-0.6 2,-0.3 -0.934 6.3-176.0-122.7 147.3 23.9 41.1 -130.4 9 28 A M E -ab 36 64A 4 26,-1.4 28,-2.8 -2,-0.4 56,-0.2 -0.987 33.4-120.9-141.7 150.8 27.6 40.5 -129.5 10 29 A G S S- 0 0 15 54,-1.9 2,-0.3 -2,-0.3 31,-0.1 0.832 84.5 -19.2 -59.7 -37.8 30.0 37.6 -130.0 11 30 A S S > S- 0 0 42 26,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.965 70.9 -86.0-161.5 175.1 30.8 37.0 -126.3 12 31 A Q G > S+ 0 0 129 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 0.813 119.2 67.4 -59.0 -31.5 30.7 38.3 -122.7 13 32 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.700 96.1 55.6 -64.2 -18.7 34.1 39.9 -123.5 14 33 A D G X> S+ 0 0 10 -3,-1.9 4,-2.8 1,-0.2 3,-0.9 0.571 85.2 84.8 -89.1 -10.4 32.3 42.3 -125.9 15 34 A W H <> S+ 0 0 82 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 0.866 77.7 63.2 -60.8 -40.3 29.9 43.5 -123.2 16 35 A E H 34 S+ 0 0 114 -4,-0.5 -1,-0.2 -3,-0.2 4,-0.1 0.819 116.0 34.7 -54.9 -28.4 32.2 46.2 -121.8 17 36 A T H X4 S+ 0 0 21 -3,-0.9 3,-1.3 -4,-0.2 4,-0.3 0.904 118.6 47.5 -90.2 -51.4 31.9 47.7 -125.3 18 37 A M H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.3 3,-1.2 0.659 91.7 79.0 -68.9 -16.6 28.4 46.9 -126.3 19 38 A R H 3X S+ 0 0 91 -4,-2.5 4,-2.8 1,-0.3 -1,-0.3 0.785 85.8 64.2 -62.2 -24.5 26.9 48.1 -123.0 20 39 A H H <> S+ 0 0 54 -3,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.814 102.0 47.7 -68.3 -30.2 27.3 51.6 -124.3 21 40 A A H <> S+ 0 0 0 -3,-1.2 4,-2.2 -4,-0.3 -2,-0.2 0.901 112.0 50.3 -75.0 -41.9 24.8 50.8 -127.1 22 41 A D H X S+ 0 0 41 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.934 110.0 49.8 -60.1 -48.0 22.4 49.3 -124.5 23 42 A A H X S+ 0 0 56 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.890 110.4 50.5 -59.6 -41.6 22.6 52.3 -122.3 24 43 A L H X S+ 0 0 5 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.929 109.5 49.0 -64.7 -47.0 21.9 54.7 -125.1 25 44 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 -1,-0.2 0.893 112.5 49.3 -61.2 -38.2 18.8 52.9 -126.4 26 45 A T H ><5S+ 0 0 81 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.910 107.5 54.5 -66.9 -41.5 17.4 52.8 -122.8 27 46 A E H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 111.7 44.3 -59.5 -37.2 18.1 56.5 -122.4 28 47 A L T 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.348 115.3-118.9 -89.4 5.9 16.0 57.2 -125.5 29 48 A E T < 5 + 0 0 141 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.912 56.8 157.5 56.4 48.5 13.4 54.8 -124.4 30 49 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.918 43.6-124.5-105.3 115.5 13.8 52.5 -127.4 31 50 A P + 0 0 52 0, 0.0 -27,-2.6 0, 0.0 -26,-0.9 -0.385 48.7 151.9 -60.0 130.5 12.5 48.9 -126.7 32 51 A H E -a 5 0A 40 -29,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.977 40.9-128.0-156.6 167.5 15.3 46.4 -127.4 33 52 A E E -a 6 0A 31 -28,-1.9 -26,-3.1 -2,-0.3 2,-0.5 -0.930 15.3-154.9-121.0 145.8 16.8 43.1 -126.6 34 53 A T E +a 7 0A 47 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.960 27.6 158.9-125.8 112.7 20.5 42.5 -125.7 35 54 A L E -a 8 0A 72 -28,-3.0 -26,-1.4 -2,-0.5 2,-0.5 -0.829 40.7-119.0-133.1 167.7 21.9 39.0 -126.4 36 55 A I E +a 9 0A 64 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.930 35.2 165.8-107.2 127.4 25.1 37.1 -127.0 37 56 A V - 0 0 3 -28,-2.8 2,-0.6 -2,-0.5 3,-0.1 -0.941 19.8-155.7-144.6 118.0 25.3 35.4 -130.4 38 57 A S > - 0 0 17 -2,-0.3 4,-2.0 1,-0.2 8,-0.3 -0.864 8.6-159.5-101.6 121.1 28.6 34.0 -131.7 39 58 A A T 4 S+ 0 0 16 -2,-0.6 -1,-0.2 1,-0.2 8,-0.1 0.879 97.1 34.8 -63.4 -35.7 29.1 33.6 -135.4 40 59 A H T 4 S+ 0 0 118 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.816 127.5 33.3 -90.8 -32.1 31.9 31.1 -134.8 41 60 A R T 4 S+ 0 0 225 1,-0.2 -2,-0.2 -31,-0.1 3,-0.1 0.750 132.6 26.7 -95.3 -27.9 30.7 29.2 -131.7 42 61 A T X + 0 0 30 -4,-2.0 4,-2.0 1,-0.1 -1,-0.2 -0.453 68.3 153.5-131.9 61.6 26.9 29.3 -132.3 43 62 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.845 77.0 49.2 -59.9 -35.9 26.5 29.6 -136.1 44 63 A D H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.866 107.8 54.4 -72.8 -33.8 23.0 28.0 -136.1 45 64 A R H > S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.2 47.0 -63.2 -40.0 21.9 30.3 -133.3 46 65 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 -8,-0.3 5,-0.3 0.937 109.5 51.9 -66.8 -47.9 23.0 33.2 -135.5 47 66 A A H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.924 113.5 44.6 -55.1 -47.0 21.2 31.9 -138.6 48 67 A D H X S+ 0 0 91 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 113.5 50.5 -64.5 -44.1 18.0 31.5 -136.7 49 68 A Y H X S+ 0 0 24 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.943 116.1 39.8 -59.6 -51.0 18.2 34.9 -135.1 50 69 A A H >< S+ 0 0 1 -4,-2.9 3,-0.5 1,-0.2 4,-0.5 0.908 114.4 52.8 -66.8 -43.5 18.9 36.8 -138.3 51 70 A R H 3< S+ 0 0 119 -4,-2.5 4,-0.3 -5,-0.3 3,-0.2 0.876 117.8 36.9 -60.9 -39.2 16.4 34.8 -140.4 52 71 A T H 3X S+ 0 0 46 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.470 88.2 98.8 -94.4 -2.8 13.6 35.5 -138.0 53 72 A A T <<>S+ 0 0 0 -4,-0.8 5,-2.1 -3,-0.5 4,-0.3 0.904 84.7 45.6 -50.9 -52.4 14.5 39.0 -136.9 54 73 A A T >45S+ 0 0 54 -4,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.919 111.9 51.4 -59.6 -46.4 12.0 40.8 -139.3 55 74 A E T 345S+ 0 0 157 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.845 105.5 56.8 -60.1 -35.2 9.1 38.4 -138.4 56 75 A R T 3<5S- 0 0 108 -4,-2.0 -1,-0.3 -3,-0.1 -2,-0.2 0.522 123.9-103.8 -75.6 -5.4 9.7 39.1 -134.7 57 76 A G T < 5 + 0 0 35 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.495 68.4 149.6 97.7 3.3 9.3 42.8 -135.3 58 77 A L < - 0 0 3 -5,-2.1 -1,-0.3 -6,-0.2 -53,-0.2 -0.445 23.5-176.2 -71.0 145.1 12.9 43.9 -135.1 59 78 A N + 0 0 34 -55,-3.1 2,-0.3 1,-0.4 -54,-0.2 0.697 67.8 20.0-109.9 -33.9 13.7 47.0 -137.3 60 79 A V E -b 5 0A 0 -56,-1.5 -54,-2.2 21,-0.1 2,-0.4 -0.994 61.9-151.7-140.6 145.1 17.5 47.3 -136.8 61 80 A I E -bc 6 83A 0 21,-2.1 23,-3.1 -2,-0.3 2,-0.6 -0.976 4.5-163.4-120.1 130.3 20.2 45.0 -135.6 62 81 A I E -bc 7 84A 0 -56,-3.0 -54,-3.0 -2,-0.4 2,-0.4 -0.968 14.9-174.0-111.6 118.4 23.4 46.2 -133.9 63 82 A A E -bc 8 85A 0 21,-3.1 23,-2.7 -2,-0.6 2,-0.4 -0.964 6.0-170.0-121.5 130.0 26.1 43.6 -133.9 64 83 A G E +bc 9 86A 0 -56,-2.3 -54,-1.9 -2,-0.4 2,-0.3 -0.941 16.4 148.7-120.9 139.4 29.5 43.8 -132.2 65 84 A A E - c 0 87A 8 21,-1.7 23,-2.6 -2,-0.4 2,-0.3 -0.985 26.1-140.6-161.3 156.7 32.5 41.5 -132.5 66 85 A G E + c 0 88A 31 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.816 62.8 7.3-123.3 163.9 36.3 41.5 -132.4 67 86 A G S S+ 0 0 16 21,-0.5 2,-2.3 -2,-0.3 34,-0.3 -0.562 134.5 11.4 73.2-130.5 39.2 40.0 -134.2 68 87 A A S S- 0 0 64 -2,-0.3 2,-0.9 32,-0.1 -2,-0.1 -0.629 93.8-165.1 -79.0 81.3 38.1 38.1 -137.3 69 88 A A + 0 0 2 -2,-2.3 4,-0.2 28,-0.3 -2,-0.1 -0.651 30.9 149.6 -80.3 103.9 34.7 39.7 -136.7 70 89 A H > + 0 0 83 -2,-0.9 4,-2.6 -4,-0.2 5,-0.3 0.537 44.6 92.4-110.8 -11.7 32.1 38.0 -138.8 71 90 A L H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 89.0 44.6 -52.9 -51.4 28.9 38.4 -136.7 72 91 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.947 116.0 46.3 -61.0 -47.7 27.7 41.6 -138.4 73 92 A G H > S+ 0 0 10 -4,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.883 114.7 45.5 -63.0 -41.3 28.4 40.4 -142.0 74 93 A M H X S+ 0 0 82 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.842 110.3 54.6 -73.2 -30.9 26.8 37.0 -141.5 75 94 A C H >X S+ 0 0 0 -4,-2.1 4,-1.1 -5,-0.3 3,-1.0 0.948 108.6 49.8 -64.4 -44.8 23.8 38.6 -139.7 76 95 A A H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 102.0 62.8 -62.8 -28.7 23.3 40.8 -142.8 77 96 A A H 3< S+ 0 0 41 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.810 111.2 37.4 -67.1 -28.9 23.5 37.7 -145.1 78 97 A W H << S+ 0 0 84 -3,-1.0 2,-0.3 -4,-1.0 -2,-0.2 0.550 112.8 57.3-100.7 -12.0 20.4 36.3 -143.5 79 98 A T < - 0 0 5 -4,-1.1 -28,-0.1 2,-0.1 4,-0.1 -0.900 57.2-151.4-124.7 154.0 18.2 39.4 -142.9 80 99 A R S S+ 0 0 68 -2,-0.3 215,-0.1 -30,-0.2 -1,-0.1 0.499 72.5 103.6 -92.8 -8.7 16.8 42.2 -145.1 81 100 A L S S- 0 0 19 -31,-0.2 2,-0.2 1,-0.1 -21,-0.1 -0.316 88.9 -89.9 -72.5 156.4 16.9 44.5 -142.1 82 101 A P - 0 0 1 0, 0.0 -21,-2.1 0, 0.0 2,-0.5 -0.501 43.4-157.2 -68.2 131.2 19.6 47.2 -141.7 83 102 A V E -c 61 0A 2 27,-0.3 29,-2.4 -2,-0.2 2,-0.5 -0.958 4.9-162.8-115.1 128.0 22.6 45.8 -139.8 84 103 A L E -cd 62 112A 1 -23,-3.1 -21,-3.1 -2,-0.5 2,-0.4 -0.925 10.8-149.5-110.3 131.8 25.0 48.1 -138.0 85 104 A G E -cd 63 113A 0 27,-2.4 29,-2.5 -2,-0.5 -21,-0.2 -0.864 9.7-163.6-111.2 137.2 28.4 46.8 -137.0 86 105 A V E -c 64 0A 0 -23,-2.7 -21,-1.7 -2,-0.4 2,-0.6 -0.948 16.5-142.3-115.7 113.8 30.6 47.7 -134.1 87 106 A P E -c 65 0A 0 0, 0.0 30,-2.9 0, 0.0 2,-0.3 -0.650 18.7-143.8 -76.6 117.4 34.3 46.7 -134.3 88 107 A V E -c 66 0A 8 -23,-2.6 -21,-0.5 -2,-0.6 10,-0.2 -0.647 26.4-103.5 -82.2 137.2 35.3 45.6 -130.8 89 108 A E - 0 0 117 -2,-0.3 2,-0.2 -23,-0.1 -1,-0.1 -0.405 38.3-146.1 -62.6 128.1 38.9 46.6 -129.9 90 109 A S > - 0 0 21 -2,-0.1 4,-0.9 1,-0.1 6,-0.1 -0.629 15.9-118.3 -95.5 156.6 41.2 43.5 -130.0 91 110 A R T 4 S+ 0 0 220 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.945 104.3 22.7 -58.1 -57.2 44.2 42.9 -127.8 92 111 A A T 4 S+ 0 0 77 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.966 132.3 33.0 -79.5 -56.2 47.0 42.8 -130.3 93 112 A L T >4 S- 0 0 104 1,-0.0 3,-2.3 2,-0.0 -2,-0.2 0.292 96.8-128.3 -89.7 11.3 45.8 44.7 -133.4 94 113 A K T 3< S- 0 0 125 -4,-0.9 -3,-0.1 1,-0.3 -5,-0.1 0.754 71.0 -51.3 49.7 34.3 43.6 47.2 -131.5 95 114 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.9 21,-0.0 -1,-0.3 0.457 109.1 115.9 88.1 -0.7 40.5 46.6 -133.5 96 115 A M H <> S+ 0 0 65 -3,-2.3 4,-2.2 2,-0.2 5,-0.2 0.888 83.6 46.4 -68.5 -36.2 42.1 47.1 -137.0 97 116 A D H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -28,-0.3 0.931 113.2 49.6 -68.3 -41.6 41.3 43.4 -137.7 98 117 A S H > S+ 0 0 0 -10,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.927 112.0 49.1 -60.1 -46.4 37.8 43.9 -136.3 99 118 A L H >X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 3,-0.7 0.941 113.2 43.2 -60.9 -52.4 37.3 47.0 -138.5 100 119 A L H 3X S+ 0 0 65 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.870 111.1 55.2 -64.9 -36.3 38.5 45.5 -141.8 101 120 A S H 3< S+ 0 0 41 -4,-2.2 -1,-0.2 -34,-0.3 -2,-0.2 0.717 118.9 35.0 -69.6 -19.7 36.6 42.3 -141.2 102 121 A I H << S+ 0 0 1 -4,-1.0 3,-0.5 -3,-0.7 -2,-0.2 0.862 119.6 41.9 -99.1 -48.3 33.4 44.2 -140.7 103 122 A V H < S+ 0 0 2 -4,-3.0 2,-1.0 1,-0.2 8,-0.2 0.820 96.5 74.8 -74.0 -30.9 33.5 47.3 -143.1 104 123 A Q < + 0 0 86 -4,-1.4 -1,-0.2 -5,-0.3 -4,-0.1 -0.026 61.6 151.1 -77.8 36.7 34.9 45.7 -146.2 105 124 A M - 0 0 30 -2,-1.0 172,-0.3 -3,-0.5 180,-0.1 -0.447 46.2-120.9 -67.8 131.2 31.7 43.9 -147.2 106 125 A P > - 0 0 91 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.323 45.3 -70.5 -71.6 162.9 31.5 43.4 -151.0 107 126 A G T 3 S+ 0 0 27 1,-0.2 175,-0.1 3,-0.0 174,-0.1 -0.228 115.7 41.9 -54.8 131.1 28.6 44.9 -152.9 108 127 A G T 3 S+ 0 0 0 173,-0.3 -1,-0.2 -3,-0.1 204,-0.1 0.009 106.2 56.8 123.7 -29.8 25.3 43.2 -152.3 109 128 A V S < S- 0 0 31 -3,-1.4 2,-0.1 2,-0.0 -32,-0.1 -0.839 74.9-161.9-136.9 96.0 25.3 42.6 -148.5 110 129 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -27,-0.3 -0.406 18.2-175.9 -84.8 155.2 25.8 45.8 -146.5 111 130 A V - 0 0 1 -8,-0.2 2,-0.9 -2,-0.1 -27,-0.2 -0.923 24.8-137.9-144.2 115.2 26.8 46.5 -142.9 112 131 A G E -d 84 0A 0 -29,-2.4 -27,-2.4 -2,-0.3 2,-0.3 -0.697 31.0-152.2 -76.4 111.3 26.8 50.1 -141.7 113 132 A T E -dE 85 275A 0 162,-2.8 162,-2.9 -2,-0.9 2,-0.2 -0.696 13.4-166.7 -96.0 138.1 30.0 50.2 -139.7 114 133 A L - 0 0 2 -29,-2.5 6,-0.2 -2,-0.3 152,-0.1 -0.552 37.8 -64.0-109.8 177.5 30.8 52.5 -136.8 115 134 A A - 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0 0 4 -172,-0.3 5,-0.2 -174,-0.2 -1,-0.2 -0.091 60.8 -87.5 -62.2 158.5 33.5 49.5 -147.8 278 135 B I S S- 0 0 35 -30,-0.1 3,-0.5 4,-0.1 4,-0.2 -0.446 89.2 -11.3 -66.0 133.3 36.2 51.4 -149.7 279 136 B G S >> S- 0 0 7 -30,-2.8 4,-1.7 1,-0.2 3,-0.7 -0.320 119.1 -10.8 84.9-159.8 35.1 52.1 -153.3 280 137 B A H 3> S+ 0 0 42 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.810 128.6 56.8 -51.1 -40.7 32.4 50.9 -155.6 281 138 B S H 3> S+ 0 0 47 -3,-0.5 4,-2.5 1,-0.2 -173,-0.3 0.904 107.7 49.5 -61.0 -40.7 31.3 48.1 -153.3 282 139 B G H <> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.2 -2,-0.2 0.883 109.7 50.4 -65.8 -39.6 30.7 50.7 -150.6 283 140 B A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.928 112.1 47.0 -64.7 -45.6 28.7 52.9 -152.8 284 141 B K H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 114.6 47.5 -62.3 -43.5 26.5 50.1 -153.9 285 142 B N H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.789 104.6 59.1 -70.4 -26.3 26.0 49.0 -150.3 286 143 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.918 109.1 46.0 -66.1 -40.3 25.3 52.5 -149.1 287 144 B A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.912 113.7 48.2 -66.4 -43.7 22.3 52.5 -151.5 288 145 B L H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 112.0 49.2 -65.0 -39.1 21.3 49.0 -150.4 289 146 B L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.922 110.9 50.2 -66.2 -42.8 21.5 50.0 -146.7 290 147 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 110.3 51.3 -60.0 -41.7 19.5 53.1 -147.5 291 148 B A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.896 107.4 51.8 -62.9 -40.8 16.9 50.9 -149.2 292 149 B S H < S+ 0 0 8 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.806 110.4 49.7 -66.9 -28.5 16.7 48.6 -146.2 293 150 B I H >< S+ 0 0 0 -4,-1.6 3,-1.1 2,-0.2 4,-0.3 0.942 113.4 44.6 -73.0 -48.5 16.1 51.6 -144.0 294 151 B L H >< S+ 0 0 10 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.847 103.5 66.2 -63.7 -34.7 13.3 53.0 -146.2 295 152 B A G >< S+ 0 0 17 -4,-2.5 3,-0.8 1,-0.3 7,-0.3 0.718 83.6 75.8 -60.7 -22.1 11.8 49.5 -146.6 296 153 B L G < S+ 0 0 40 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.746 113.5 20.6 -62.9 -24.1 10.9 49.5 -142.8 297 154 B Y G < S+ 0 0 75 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.087 114.7 73.0-132.8 23.3 8.0 51.9 -143.6 298 155 B N <> - 0 0 65 -3,-0.8 4,-2.6 -4,-0.1 5,-0.2 -0.780 54.1-173.7-140.4 90.0 7.4 51.3 -147.3 299 156 B P H > S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.845 86.0 53.9 -52.2 -40.8 5.8 47.9 -148.0 300 157 B A H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.932 112.5 42.7 -62.5 -47.3 6.1 48.2 -151.8 301 158 B L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 109.2 58.5 -66.5 -38.8 9.9 48.9 -151.6 302 159 B A H X S+ 0 0 36 -4,-2.6 4,-2.4 -7,-0.3 -1,-0.2 0.896 106.6 49.4 -57.5 -39.9 10.3 46.1 -149.0 303 160 B A H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.915 111.1 48.1 -65.7 -44.1 8.9 43.7 -151.5 304 161 B R H X S+ 0 0 69 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.881 112.7 49.3 -64.1 -38.2 11.2 44.9 -154.3 305 162 B L H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.902 109.2 51.8 -67.5 -41.7 14.2 44.6 -151.9 306 163 B E H X S+ 0 0 87 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.920 111.4 47.3 -60.0 -45.1 13.2 41.1 -150.9 307 164 B T H X S+ 0 0 95 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.893 112.0 51.0 -63.7 -40.1 13.0 40.1 -154.5 308 165 B W H X S+ 0 0 35 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 112.4 44.5 -63.5 -49.1 16.4 41.8 -155.2 309 166 B R H X S+ 0 0 18 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.894 113.8 51.4 -62.9 -40.2 18.1 40.0 -152.3 310 167 B A H X S+ 0 0 43 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.907 110.0 48.5 -64.0 -42.8 16.4 36.7 -153.3 311 168 B L H X S+ 0 0 110 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.890 107.5 56.1 -65.0 -39.6 17.6 37.0 -156.9 312 169 B Q H < S+ 0 0 52 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.932 110.5 44.5 -57.2 -47.0 21.1 37.8 -155.8 313 170 B T H >< S+ 0 0 95 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.882 114.0 49.1 -65.4 -40.4 21.2 34.5 -153.8 314 171 B A H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 103.5 62.1 -72.7 -23.2 19.7 32.5 -156.6 315 172 B S T 3< S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.457 75.0 110.0 -83.6 -1.9 22.1 33.9 -159.2 316 173 B V < - 0 0 97 -3,-0.9 -3,-0.0 -4,-0.3 -4,-0.0 -0.644 68.7-129.3 -78.9 122.5 25.2 32.5 -157.6 317 174 B P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.229 3.5-135.4 -66.7 159.0 26.7 29.7 -159.7 318 175 B N S S+ 0 0 176 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.733 85.2 21.7 -87.6 -24.8 27.6 26.4 -158.1 319 176 B S S S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.982 83.0-105.7-143.0 153.7 31.0 26.0 -159.7 320 177 B P - 0 0 108 0, 0.0 2,-1.0 0, 0.0 -2,-0.0 -0.365 34.1-108.9 -77.5 157.0 33.6 28.3 -161.3 321 178 B I - 0 0 142 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.781 28.5-166.9 -87.6 105.6 34.2 28.6 -165.1 322 179 B T 0 0 114 -2,-1.0 -1,-0.1 1,-0.3 0, 0.0 0.069 360.0 360.0 -82.0 25.2 37.6 26.9 -165.4 323 180 B E 0 0 199 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.068 360.0 360.0 57.8 360.0 38.0 28.2 -169.0