==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-APR-11 3RG8 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, PURE PR . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA DENTICOLA; . AUTHOR I.I.MATHEWS,C.M.STARKS,T.J.KAPPOCK . 1252 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 987 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 167 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 116 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 523 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 4 2 0 8 0 0 0 12 12 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 8 0 1 15 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 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 4 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 R 0 0 192 0, 0.0 28,-0.0 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 115.9 38.1 22.3 41.5 2 3 A P - 0 0 12 0, 0.0 28,-0.6 0, 0.0 2,-0.4 -0.229 360.0-164.6 -56.5 147.6 34.7 20.5 41.5 3 4 A L E -ab 30 59A 6 55,-1.6 57,-1.9 26,-0.1 2,-0.6 -0.995 6.7-158.4-134.6 131.7 33.8 18.0 44.2 4 5 A V E -ab 31 60A 0 26,-2.1 28,-2.2 -2,-0.4 2,-0.8 -0.962 8.0-154.3-109.0 119.8 30.9 15.5 44.1 5 6 A I E -ab 32 61A 1 55,-3.0 57,-2.6 -2,-0.6 2,-0.8 -0.869 7.3-160.6 -91.2 111.1 29.8 14.2 47.4 6 7 A I E -ab 33 62A 0 26,-3.8 28,-2.9 -2,-0.8 2,-0.5 -0.855 14.2-177.6 -91.5 107.3 28.3 10.8 46.9 7 8 A L E -ab 34 63A 0 55,-2.0 57,-2.4 -2,-0.8 2,-0.3 -0.933 3.8-174.4-116.5 121.9 26.1 10.1 50.0 8 9 A M E -ab 35 64A 0 26,-2.4 28,-2.8 -2,-0.5 57,-0.2 -0.773 29.5-134.2-113.1 150.4 24.2 6.8 50.4 9 10 A G S S+ 0 0 13 55,-2.1 2,-0.3 -2,-0.3 56,-0.1 0.632 87.9 15.9 -74.1 -17.1 21.8 5.8 53.1 10 11 A S S > S- 0 0 41 54,-0.3 3,-1.8 26,-0.1 -1,-0.1 -0.996 71.0-116.6-157.4 154.5 23.5 2.4 53.6 11 12 A S G > S+ 0 0 45 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.777 110.5 70.8 -65.2 -23.1 26.7 0.4 53.0 12 13 A S G 3 S+ 0 0 95 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.704 90.2 62.8 -66.9 -18.6 24.6 -2.0 50.8 13 14 A D G X> S+ 0 0 17 -3,-1.8 4,-2.2 1,-0.2 3,-0.7 0.512 72.0 101.5 -78.7 -5.7 24.4 0.9 48.3 14 15 A M H <> S+ 0 0 42 -3,-1.9 4,-2.8 1,-0.3 5,-0.2 0.820 73.5 58.6 -56.3 -36.9 28.1 0.9 47.8 15 16 A G H 3> S+ 0 0 44 -3,-0.5 4,-1.3 2,-0.2 -1,-0.3 0.913 110.7 41.4 -56.4 -48.8 27.9 -1.0 44.5 16 17 A H H <> S+ 0 0 13 -3,-0.7 4,-1.4 -4,-0.2 3,-0.3 0.933 114.7 52.6 -63.0 -48.1 25.7 1.6 42.9 17 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.881 106.5 53.1 -53.7 -42.9 27.8 4.4 44.5 18 19 A E H X S+ 0 0 103 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.811 103.1 57.4 -69.3 -32.7 31.0 3.0 43.1 19 20 A K H X S+ 0 0 121 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.881 109.0 45.7 -59.5 -39.3 29.6 2.9 39.5 20 21 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.2 3,-0.2 0.950 113.4 50.2 -69.4 -53.8 28.9 6.7 39.8 21 22 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.906 107.0 53.4 -45.7 -54.1 32.5 7.3 41.2 22 23 A S H X S+ 0 0 57 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.880 111.5 46.3 -55.2 -39.1 34.2 5.2 38.5 23 24 A E H >X S+ 0 0 19 -4,-1.3 4,-1.0 -3,-0.2 3,-0.6 0.924 110.2 52.1 -72.0 -40.8 32.4 7.3 35.8 24 25 A L H 3<>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.3 3,-0.5 0.845 104.1 59.1 -62.4 -34.7 33.3 10.6 37.6 25 26 A K H ><5S+ 0 0 113 -4,-2.5 3,-1.0 1,-0.2 -1,-0.3 0.854 98.3 59.0 -61.3 -34.4 36.9 9.5 37.7 26 27 A T H <<5S+ 0 0 86 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.804 106.6 47.5 -65.6 -28.8 36.8 9.3 33.8 27 28 A F T 3<5S- 0 0 11 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.496 116.5-116.0 -85.4 -9.2 35.9 13.0 33.7 28 29 A G T < 5 + 0 0 70 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.665 67.2 144.3 79.8 18.3 38.7 13.9 36.2 29 30 A I < - 0 0 5 -5,-2.1 -1,-0.3 -8,-0.1 -2,-0.1 -0.818 48.4-126.9 -96.5 123.4 36.2 15.1 38.8 30 31 A E E -a 3 0A 88 -28,-0.6 -26,-2.1 -2,-0.6 2,-0.3 -0.387 30.0-170.8 -66.9 143.0 37.0 14.3 42.5 31 32 A Y E -a 4 0A 71 -28,-0.2 2,-0.4 -2,-0.1 -26,-0.2 -0.885 19.0-152.3-134.8 157.8 34.4 12.5 44.6 32 33 A A E -a 5 0A 20 -28,-2.2 -26,-3.8 -2,-0.3 2,-0.5 -0.996 12.2-151.6-126.2 135.3 33.8 11.6 48.2 33 34 A I E +a 6 0A 29 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.953 25.7 168.4-109.3 126.0 31.7 8.5 49.1 34 35 A R E -a 7 0A 45 -28,-2.9 -26,-2.4 -2,-0.5 2,-0.4 -0.880 25.0-137.4-136.5 159.1 29.9 8.8 52.5 35 36 A I E +a 8 0A 4 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.2 -0.975 32.8 140.7-125.3 132.5 27.1 6.9 54.5 36 37 A G - 0 0 0 -28,-2.8 2,-0.5 -2,-0.4 -26,-0.1 -0.849 36.5-134.3-169.2 140.3 24.2 8.3 56.4 37 38 A S > - 0 0 8 -2,-0.3 4,-1.5 1,-0.1 8,-0.3 -0.796 0.9-160.2 -98.9 128.3 20.6 7.5 57.1 38 39 A A T 4 S+ 0 0 3 -2,-0.5 4,-0.2 2,-0.1 -1,-0.1 0.732 97.3 45.7 -71.5 -22.9 18.0 10.2 56.9 39 40 A H T 4 S+ 0 0 21 2,-0.1 3,-0.2 -30,-0.1 -1,-0.1 0.901 129.1 17.9 -82.9 -44.4 15.7 7.9 59.0 40 41 A K T 4 S+ 0 0 51 1,-0.1 -2,-0.1 261,-0.1 3,-0.1 0.659 132.0 34.8-108.1 -24.8 18.1 6.7 61.7 41 42 A T X + 0 0 8 -4,-1.5 4,-2.3 1,-0.1 5,-0.2 -0.260 66.7 143.1-130.9 47.4 21.0 9.1 61.8 42 43 A A H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.869 73.5 48.3 -62.2 -44.4 19.5 12.5 60.9 43 44 A E H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.858 112.3 52.1 -69.9 -29.8 21.7 14.7 63.2 44 45 A H H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.917 110.1 46.5 -64.6 -50.0 24.8 12.9 61.8 45 46 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -8,-0.3 5,-0.2 0.938 112.9 51.9 -55.0 -46.9 23.8 13.6 58.2 46 47 A V H X S+ 0 0 14 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.937 110.5 46.9 -61.5 -43.2 23.1 17.2 59.2 47 48 A S H X S+ 0 0 60 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.811 112.0 52.1 -65.8 -28.8 26.5 17.5 60.8 48 49 A M H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 3,-0.4 0.913 106.5 51.6 -72.6 -46.2 28.2 16.0 57.7 49 50 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.900 103.8 58.3 -55.6 -44.5 26.5 18.3 55.3 50 51 A K H X S+ 0 0 101 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.841 105.1 52.6 -57.8 -33.2 27.7 21.4 57.4 51 52 A E H < S+ 0 0 113 -4,-0.9 4,-0.3 -3,-0.4 3,-0.2 0.910 113.3 40.5 -68.0 -45.8 31.3 20.1 56.8 52 53 A Y H >< S+ 0 0 31 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.905 109.4 60.9 -70.9 -37.9 31.0 19.9 53.1 53 54 A E H 3< S+ 0 0 29 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.771 98.1 59.7 -61.1 -25.6 29.0 23.1 52.8 54 55 A A T 3< S+ 0 0 84 -4,-0.9 2,-0.3 -3,-0.2 -1,-0.3 0.626 80.5 102.2 -76.5 -15.8 32.0 25.0 54.4 55 56 A L S < S- 0 0 73 -3,-1.9 2,-1.5 -4,-0.3 4,-0.1 -0.565 71.2-138.1 -71.8 128.3 34.4 24.0 51.5 56 57 A D + 0 0 167 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.601 69.3 96.7 -88.6 74.3 34.9 26.9 49.1 57 58 A R S S- 0 0 36 -2,-1.5 2,-0.2 -54,-0.1 -2,-0.1 -0.957 87.8 -89.4-146.4 154.3 34.8 24.8 45.9 58 59 A P - 0 0 18 0, 0.0 -55,-1.6 0, 0.0 2,-0.4 -0.479 58.7-176.6 -63.8 130.3 31.9 24.2 43.5 59 60 A K E -b 3 0A 31 -57,-0.2 2,-0.3 -2,-0.2 -55,-0.2 -0.962 24.6-170.5-136.3 153.1 30.1 21.2 44.8 60 61 A L E -b 4 0A 0 -57,-1.9 -55,-3.0 -2,-0.4 2,-0.5 -0.959 15.9-142.4-129.5 152.9 27.3 18.8 44.0 61 62 A Y E -bc 5 83A 2 21,-0.9 23,-2.9 -2,-0.3 2,-0.5 -0.978 5.9-162.8-114.5 130.6 25.7 16.0 46.1 62 63 A I E -bc 6 84A 0 -57,-2.6 -55,-2.0 -2,-0.5 2,-0.4 -0.974 16.8-159.6-106.4 116.1 24.6 12.8 44.5 63 64 A T E -bc 7 85A 0 21,-2.5 23,-2.5 -2,-0.5 2,-0.5 -0.824 8.5-170.3-108.0 133.9 22.2 11.1 47.0 64 65 A I E +b 8 0A 0 -57,-2.4 -55,-2.1 -2,-0.4 2,-0.3 -0.980 16.9 151.7-128.4 116.8 21.5 7.3 46.9 65 66 A A - 0 0 11 -2,-0.5 4,-0.1 -57,-0.2 7,-0.1 -0.943 28.4-143.3-150.1 130.4 18.8 5.6 48.9 66 67 A G + 0 0 31 -2,-0.3 24,-0.1 21,-0.1 -53,-0.0 -0.167 68.9 14.2 -75.0 173.8 16.7 2.5 48.3 67 68 A R S S+ 0 0 80 21,-0.1 2,-0.8 2,-0.1 823,-0.2 -0.233 130.4 5.1 57.6-142.0 13.1 2.0 49.2 68 69 A S S S- 0 0 2 821,-2.3 2,-1.1 817,-0.1 3,-0.2 -0.705 84.5-139.9 -74.0 112.2 11.2 5.2 50.2 69 70 A N + 0 0 1 -2,-0.8 4,-0.4 28,-0.4 -2,-0.1 -0.629 44.8 150.3 -80.7 94.6 13.9 7.8 49.5 70 71 A A > + 0 0 5 -2,-1.1 4,-1.7 2,-0.1 -1,-0.2 0.740 63.9 72.4 -84.8 -29.9 13.8 10.4 52.2 71 72 A L H > S+ 0 0 3 1,-0.2 4,-2.6 -3,-0.2 5,-0.3 0.841 90.1 54.5 -57.8 -43.0 17.5 11.1 51.9 72 73 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.947 113.9 38.7 -61.8 -49.0 17.5 13.0 48.6 73 74 A G H > S+ 0 0 1 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.788 114.5 56.4 -70.1 -26.7 14.9 15.6 49.6 74 75 A F H X S+ 0 0 6 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.946 113.1 39.0 -67.7 -51.2 16.4 15.9 53.1 75 76 A V H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.9 0.915 115.8 53.6 -65.2 -44.3 19.9 16.7 51.8 76 77 A D H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.879 106.6 51.3 -62.4 -38.0 18.4 18.9 49.1 77 78 A G H 3< S+ 0 0 17 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.694 116.6 42.2 -73.9 -15.5 16.4 21.0 51.6 78 79 A F H << S+ 0 0 61 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.866 101.4 68.9 -94.0 -46.5 19.5 21.5 53.7 79 80 A V S < S- 0 0 2 -4,-2.4 4,-0.1 1,-0.1 -29,-0.0 -0.333 72.0-134.8 -78.3 163.3 22.4 22.3 51.2 80 81 A K S S+ 0 0 128 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.885 77.4 51.0 -85.7 -44.9 22.6 25.5 49.2 81 82 A G S S- 0 0 10 1,-0.2 674,-0.2 676,-0.1 673,-0.1 -0.079 99.3 -53.9 -94.4-172.8 23.5 24.3 45.7 82 83 A A - 0 0 1 672,-1.0 -21,-0.9 -23,-0.2 2,-0.3 -0.197 46.6-163.1 -62.9 145.1 22.2 21.7 43.3 83 84 A T E -c 61 0A 0 26,-0.3 28,-2.4 -23,-0.2 2,-0.4 -0.919 8.0-146.7-121.4 160.5 21.7 18.0 44.3 84 85 A I E -cd 62 111A 0 -23,-2.9 -21,-2.5 -2,-0.3 2,-0.5 -0.996 7.8-150.3-124.9 124.0 21.2 14.9 42.1 85 86 A A E +cd 63 112A 0 26,-2.6 28,-2.3 -2,-0.4 -21,-0.2 -0.902 22.1 167.3 -90.8 122.2 19.0 11.9 43.2 86 87 A C - 0 0 0 -23,-2.5 28,-0.1 -2,-0.5 26,-0.1 -0.686 15.9-167.7-137.0 80.4 20.2 8.6 41.8 87 88 A P - 0 0 18 0, 0.0 -21,-0.1 0, 0.0 -23,-0.1 -0.274 28.9-103.6 -68.3 152.3 18.4 5.8 43.7 88 89 A P - 0 0 26 0, 0.0 -21,-0.1 0, 0.0 -23,-0.1 -0.422 47.2 -92.5 -70.4 157.8 19.5 2.2 43.3 89 90 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 -73,-0.0 -0.328 47.9 176.4 -70.8 150.8 17.4 -0.0 41.0 90 91 A S - 0 0 49 2,-0.1 8,-0.1 -3,-0.1 7,-0.1 -0.933 30.2-161.5-153.0 143.4 14.6 -2.1 42.5 91 92 A D > + 0 0 136 -2,-0.3 3,-1.2 3,-0.1 5,-0.1 0.301 54.4 125.8 -96.0 -6.0 11.9 -4.4 41.0 92 93 A S G >>>S+ 0 0 31 1,-0.3 3,-1.3 2,-0.2 4,-0.6 -0.373 84.6 0.0 -61.6 136.8 9.8 -4.3 44.2 93 94 A F G >45S- 0 0 27 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.888 132.4 -61.6 50.2 44.7 6.2 -3.2 43.5 94 95 A A G <45S- 0 0 22 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.805 101.6 -53.4 53.8 33.5 7.1 -2.9 39.8 95 96 A G G X45S+ 0 0 4 -3,-1.3 3,-2.4 470,-0.1 -1,-0.3 0.600 92.2 147.0 83.3 10.0 9.7 -0.2 40.6 96 97 A A T XX5 + 0 0 5 -3,-1.6 3,-1.7 -4,-0.6 4,-0.5 0.661 52.6 83.7 -62.7 -13.5 7.3 2.0 42.5 97 98 A D H >> S+ 0 0 11 -3,-2.4 4,-1.8 1,-0.2 3,-1.4 0.867 82.6 63.7 -55.4 -34.2 10.8 5.7 42.0 99 100 A Y H <> S+ 0 0 18 -3,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.861 92.8 62.5 -63.2 -30.2 7.8 7.8 43.0 100 101 A S H << S+ 0 0 3 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.760 109.7 41.2 -65.7 -24.1 9.4 8.5 46.4 101 102 A S H << S+ 0 0 6 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.787 117.3 48.0 -87.1 -33.6 12.2 10.3 44.4 102 103 A L H < S+ 0 0 11 -4,-1.8 2,-1.8 1,-0.2 641,-0.5 0.909 95.7 72.9 -68.6 -47.6 9.9 12.0 41.9 103 104 A R < + 0 0 31 -4,-2.5 751,-2.5 -5,-0.1 -1,-0.2 -0.467 62.0 159.7 -91.5 71.5 7.3 13.5 44.2 104 105 A M - 0 0 12 -2,-1.8 3,-0.1 -3,-0.2 640,-0.1 -0.501 40.2-113.1 -86.7 148.3 9.0 16.4 45.9 105 106 A P > - 0 0 24 0, 0.0 3,-1.4 0, 0.0 2,-0.1 -0.339 51.5 -75.9 -69.6 166.0 7.2 19.3 47.6 106 107 A S T 3 S+ 0 0 51 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.438 122.3 33.2 -60.3 133.4 7.5 22.8 46.1 107 108 A G T 3 S+ 0 0 1 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.495 94.8 96.1 95.2 8.2 11.0 24.2 47.0 108 109 A I < + 0 0 1 -3,-1.4 -1,-0.2 2,-0.1 -4,-0.1 -0.999 46.6 171.1-129.1 122.0 12.8 20.9 47.0 109 110 A S + 0 0 1 -2,-0.4 -26,-0.3 -36,-0.1 2,-0.1 -0.203 5.5 162.1-140.4 45.7 14.6 20.3 43.6 110 111 A P - 0 0 8 0, 0.0 2,-0.7 0, 0.0 -26,-0.3 -0.392 44.4-117.0 -66.8 145.0 17.0 17.4 43.3 111 112 A A E -d 84 0A 0 -28,-2.4 -26,-2.6 -2,-0.1 2,-0.5 -0.747 28.0-142.9 -82.3 118.2 17.7 16.4 39.8 112 113 A L E +dE 85 741A 7 629,-2.0 629,-2.2 -2,-0.7 2,-0.4 -0.739 28.4 165.1 -87.4 126.0 16.4 12.8 39.2 113 114 A V - 0 0 10 -28,-2.3 6,-0.1 -2,-0.5 627,-0.1 -0.998 22.0-159.2-135.2 133.7 18.6 10.6 37.0 114 115 A L + 0 0 32 617,-0.5 -1,-0.1 -2,-0.4 618,-0.1 0.962 69.8 65.8 -76.1 -58.3 18.2 6.8 36.9 115 116 A E S > S- 0 0 66 1,-0.1 4,-1.9 619,-0.1 3,-0.3 -0.550 72.7-139.4 -76.4 131.7 21.5 5.4 35.5 116 117 A P H > S+ 0 0 13 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.891 104.7 51.4 -56.4 -42.1 24.6 5.8 37.6 117 118 A K H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.851 111.0 49.7 -63.7 -33.9 26.8 6.7 34.6 118 119 A N H > S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.786 105.2 55.6 -74.8 -31.0 24.2 9.3 33.6 119 120 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.923 110.7 46.9 -63.5 -40.9 24.2 10.9 37.1 120 121 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.889 112.1 49.5 -63.5 -43.8 27.9 11.3 36.7 121 122 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.906 110.7 49.6 -65.8 -42.5 27.5 12.7 33.2 122 123 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.922 109.7 52.2 -60.1 -42.1 24.9 15.2 34.5 123 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.4 0.973 111.1 47.1 -56.4 -52.5 27.3 16.1 37.3 124 125 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.897 111.9 51.2 -53.5 -41.0 30.1 16.8 34.7 125 126 A R H < S+ 0 0 0 -4,-2.3 586,-1.1 1,-0.2 4,-0.5 0.808 105.3 54.7 -79.3 -24.9 27.7 18.8 32.5 126 127 A I H >< S+ 0 0 2 -4,-2.2 3,-1.0 -3,-0.4 4,-0.3 0.928 113.6 41.8 -65.4 -44.3 26.6 21.0 35.4 127 128 A F H >X S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 4,-1.8 0.899 101.4 72.8 -71.1 -36.3 30.2 21.9 36.1 128 129 A S T 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.671 79.0 75.6 -51.3 -24.1 30.9 22.2 32.3 129 130 A L T <4 S+ 0 0 30 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.837 119.7 10.5 -59.6 -30.0 28.9 25.5 32.3 130 131 A Y T <4 S+ 0 0 75 -3,-2.5 2,-0.6 -4,-0.3 -2,-0.2 0.510 116.6 78.4-124.3 -11.5 31.9 27.2 33.9 131 132 A D X - 0 0 32 -4,-1.8 4,-2.2 1,-0.2 -1,-0.1 -0.897 52.2-171.7-112.1 108.9 34.7 24.6 33.8 132 133 A K H > S+ 0 0 158 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.840 84.7 55.8 -69.8 -39.4 36.4 24.4 30.3 133 134 A E H > S+ 0 0 156 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 111.4 44.7 -57.1 -49.4 38.5 21.3 31.2 134 135 A I H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.899 110.1 54.7 -65.5 -39.7 35.4 19.4 32.1 135 136 A A H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.931 109.0 48.9 -53.3 -49.1 33.5 20.7 29.0 136 137 A D H X S+ 0 0 102 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.936 110.1 51.2 -56.6 -46.9 36.4 19.3 26.9 137 138 A S H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 109.9 49.7 -61.4 -39.8 36.2 16.0 28.8 138 139 A V H X S+ 0 0 3 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.858 108.9 51.4 -65.3 -39.1 32.4 15.8 28.1 139 140 A K H X S+ 0 0 122 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.964 111.9 47.0 -61.8 -52.5 32.8 16.5 24.4 140 141 A S H X S+ 0 0 85 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.916 115.7 47.6 -47.9 -49.1 35.4 13.8 24.1 141 142 A Y H X S+ 0 0 34 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.931 114.8 42.0 -63.6 -50.9 33.1 11.4 26.1 142 143 A M H X S+ 0 0 33 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.846 114.1 51.4 -73.9 -32.8 29.9 12.1 24.2 143 144 A E H X S+ 0 0 119 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.856 108.5 53.7 -67.1 -35.2 31.6 12.0 20.7 144 145 A S H X S+ 0 0 59 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.877 106.6 51.0 -67.6 -42.0 33.1 8.7 21.7 145 146 A N H X S+ 0 0 44 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.850 113.2 44.9 -59.8 -43.2 29.7 7.2 22.5 146 147 A A H X S+ 0 0 18 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.863 111.2 54.3 -70.4 -37.9 28.2 8.3 19.2 147 148 A Q H X S+ 0 0 105 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 105.7 51.8 -63.1 -40.4 31.3 7.1 17.3 148 149 A K H X S+ 0 0 100 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.862 109.8 50.2 -64.4 -36.2 31.0 3.6 18.8 149 150 A I H X S+ 0 0 14 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.945 112.1 45.6 -69.0 -50.0 27.4 3.4 17.7 150 151 A I H X S+ 0 0 67 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.891 112.4 53.1 -59.5 -39.4 28.2 4.4 14.2 151 152 A E H X S+ 0 0 83 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.908 103.3 56.8 -60.9 -42.5 31.1 1.9 14.3 152 153 A D H >< S+ 0 0 35 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.923 108.3 47.4 -54.1 -46.2 28.6 -0.8 15.4 153 154 A D H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 106.5 58.4 -62.2 -41.0 26.6 -0.1 12.2 154 155 A S H 3< 0 0 87 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 360.0 360.0 -64.0 -28.5 29.7 -0.2 10.0 155 156 A K << 0 0 186 -4,-1.3 -3,-0.0 -3,-0.6 0, 0.0 -0.344 360.0 360.0 -75.8 360.0 30.7 -3.7 11.1 156 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 157 2 B R 0 0 186 0, 0.0 28,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.6 3.1 -9.5 81.0 158 3 B P - 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