==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-01 1KJ9 . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,S.M.FIRESTINE,S.J.BENKOVIC,H.M.HOLDEN . 773 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 21.2 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 . 8 1.0 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 . 2 0.3 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 . 68 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 3 0 0 1 1 7 1 6 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 6 2 4 8 6 2 2 0 2 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 2 2 2 0 0 0 0 1 1 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 T 0 0 45 0, 0.0 723,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.6 39.4 15.0 22.1 2 3 A L - 0 0 90 720,-0.2 2,-0.4 721,-0.2 720,-0.2 -0.947 360.0-171.4-116.5 125.1 36.3 12.8 22.8 3 4 A L B -A 721 0A 3 718,-2.5 718,-3.1 -2,-0.4 8,-0.1 -0.948 9.4-150.5-118.7 139.9 32.7 13.9 22.3 4 5 A G - 0 0 3 -2,-0.4 2,-0.5 716,-0.2 7,-0.2 -0.153 31.8 -91.8 -87.7-168.8 29.6 11.9 23.4 5 6 A T > - 0 0 3 714,-0.2 3,-2.3 735,-0.1 6,-0.3 -0.948 47.2-102.8-110.4 127.1 26.2 12.0 21.7 6 7 A A T 3 S+ 0 0 1 28,-1.6 29,-0.1 -2,-0.5 7,-0.1 -0.187 104.9 13.9 -51.5 138.6 23.7 14.5 23.1 7 8 A L T 3 S+ 0 0 51 1,-0.3 -1,-0.3 5,-0.1 28,-0.0 0.286 105.2 108.6 77.8 -5.7 21.0 12.9 25.4 8 9 A R S X S- 0 0 58 -3,-2.3 3,-2.4 711,-0.1 -1,-0.3 -0.591 87.0-101.9 -96.0 163.4 23.0 9.6 25.6 9 10 A P T 3 S+ 0 0 102 0, 0.0 709,-0.1 0, 0.0 -1,-0.1 0.823 122.5 46.3 -52.5 -36.4 24.8 8.5 28.8 10 11 A A T 3 S+ 0 0 38 -5,-0.1 -6,-0.1 709,-0.1 -4,-0.1 0.217 85.5 146.4 -91.4 12.2 28.2 9.5 27.5 11 12 A A < - 0 0 2 -3,-2.4 2,-0.6 -6,-0.3 -5,-0.1 -0.082 51.2-127.0 -48.8 148.0 26.9 12.9 26.3 12 13 A T - 0 0 15 22,-0.3 24,-2.6 -8,-0.1 2,-0.5 -0.887 31.6-151.4 -96.5 119.0 29.2 16.0 26.4 13 14 A R E -c 36 0B 46 -2,-0.6 63,-2.2 61,-0.2 64,-1.8 -0.866 16.3-173.6-107.7 129.3 27.3 18.6 28.3 14 15 A V E -cd 37 77B 0 22,-3.2 24,-2.6 -2,-0.5 2,-0.5 -0.959 8.8-157.5-114.9 128.9 27.6 22.4 27.9 15 16 A M E -cd 38 78B 0 62,-2.9 64,-3.3 -2,-0.4 2,-0.6 -0.922 7.6-151.7-106.1 126.0 25.8 24.9 30.2 16 17 A L E -cd 39 79B 2 22,-3.1 24,-2.5 -2,-0.5 2,-1.0 -0.881 1.6-159.5 -98.9 121.8 25.2 28.4 28.8 17 18 A L E S+cd 40 80B 0 62,-2.0 64,-3.0 -2,-0.6 65,-0.7 -0.808 80.1 26.9-102.0 89.6 25.0 31.0 31.5 18 19 A G - 0 0 1 22,-2.6 23,-0.2 -2,-1.0 -1,-0.1 0.165 67.2-156.7 116.7 119.0 23.2 33.7 29.5 19 20 A S + 0 0 0 20,-0.1 29,-2.8 4,-0.1 30,-0.4 -0.189 45.6 127.3-117.5 34.6 21.0 32.8 26.6 20 21 A G S > S- 0 0 7 27,-0.2 4,-2.4 26,-0.1 28,-0.2 0.010 83.2 -70.8 -77.7-170.8 20.9 36.0 24.4 21 22 A E H > S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.763 134.8 52.3 -57.4 -32.0 21.7 36.2 20.7 22 23 A L H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.913 111.4 45.6 -70.6 -45.9 25.5 35.5 21.4 23 24 A G H > S+ 0 0 4 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.873 105.5 64.5 -62.6 -35.5 24.7 32.3 23.4 24 25 A K H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 104.1 44.0 -56.1 -43.7 22.2 31.3 20.7 25 26 A E H X S+ 0 0 11 -4,-1.1 4,-2.6 -3,-0.3 -1,-0.2 0.857 111.1 53.4 -72.9 -33.5 24.9 30.9 18.1 26 27 A V H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.926 109.0 51.0 -64.1 -42.6 27.1 29.1 20.6 27 28 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.938 109.6 49.3 -58.5 -46.2 24.2 26.7 21.2 28 29 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.932 111.6 49.7 -60.5 -42.3 23.8 26.2 17.4 29 30 A E H < S+ 0 0 24 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.862 112.0 46.8 -66.7 -33.3 27.5 25.5 17.1 30 31 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-1.3 0.910 112.0 51.9 -70.4 -42.9 27.4 23.0 20.0 31 32 A Q H ><5S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.856 99.8 62.3 -61.7 -34.1 24.4 21.3 18.5 32 33 A R T 3<5S+ 0 0 24 -4,-2.0 704,-1.9 1,-0.3 -1,-0.3 0.701 107.7 44.8 -66.4 -18.5 26.1 21.0 15.2 33 34 A L T < 5S- 0 0 20 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.167 120.8-107.1-106.7 12.0 28.7 18.7 17.0 34 35 A G T < 5 + 0 0 1 -3,-1.7 -28,-1.6 702,-0.3 -22,-0.3 0.776 66.6 157.4 67.7 23.4 26.0 16.7 18.9 35 36 A V < - 0 0 0 -5,-2.5 2,-0.3 -30,-0.1 -1,-0.2 -0.657 46.2-117.1 -82.4 135.7 26.9 18.5 22.1 36 37 A E E -c 13 0B 11 -24,-2.6 -22,-3.2 -2,-0.3 2,-0.5 -0.596 32.8-155.3 -76.2 129.3 24.2 18.5 24.8 37 38 A V E -c 14 0B 0 -2,-0.3 17,-1.6 -24,-0.2 16,-1.5 -0.925 18.1-175.0-120.0 124.2 23.1 22.1 25.6 38 39 A I E -ce 15 54B 0 -24,-2.6 -22,-3.1 -2,-0.5 2,-0.5 -0.957 18.1-153.7-112.5 117.9 21.5 23.4 28.8 39 40 A A E -ce 16 55B 0 15,-2.6 17,-2.1 -2,-0.6 2,-0.3 -0.834 12.8-175.8-101.6 125.7 20.5 27.1 28.5 40 41 A V E +ce 17 56B 0 -24,-2.5 -22,-2.6 -2,-0.5 2,-0.3 -0.917 15.6 137.9-120.0 141.9 20.2 29.3 31.5 41 42 A D E - e 0 57B 17 15,-1.4 17,-2.2 -2,-0.3 3,-0.0 -0.911 59.4 -98.4-162.1-175.5 19.1 33.0 31.9 42 43 A R S S+ 0 0 143 -2,-0.3 2,-0.3 15,-0.2 15,-0.1 0.259 102.6 41.7 -99.0 3.6 17.0 35.3 34.0 43 44 A Y S > S- 0 0 61 13,-0.2 3,-0.6 15,-0.0 2,-0.1 -0.992 87.2-102.3-148.9 152.7 13.9 35.2 31.8 44 45 A A T 3 S+ 0 0 61 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.355 95.9 20.8 -77.7 154.7 12.0 32.5 30.0 45 46 A D T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.758 79.0 171.1 60.6 27.5 12.1 31.8 26.2 46 47 A A X> - 0 0 0 -3,-0.6 3,-1.9 304,-0.1 4,-0.9 -0.347 49.1 -98.0 -63.9 145.2 15.5 33.6 25.9 47 48 A P G >4 S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.793 121.3 48.6 -34.9 -54.8 17.0 33.1 22.4 48 49 A A G >4 S+ 0 0 0 -29,-2.8 3,-1.0 1,-0.3 -28,-0.1 0.769 102.2 66.2 -64.3 -24.3 19.5 30.3 23.2 49 50 A M G X4 S+ 0 0 18 -3,-1.9 3,-1.1 -30,-0.4 -1,-0.3 0.786 88.9 66.3 -65.7 -26.9 16.7 28.4 25.0 50 51 A H G << S+ 0 0 5 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.784 112.1 32.5 -63.4 -28.7 14.9 28.0 21.7 51 52 A V G < S+ 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.3 0.018 99.6 103.7-117.7 23.7 17.8 25.8 20.4 52 53 A A S < S- 0 0 12 -3,-1.1 -14,-0.2 1,-0.1 3,-0.1 -0.759 71.1-130.5-104.7 155.2 18.8 24.1 23.7 53 54 A H S S+ 0 0 34 -16,-1.5 2,-0.3 -2,-0.3 -15,-0.2 0.911 94.3 1.7 -67.2 -41.9 18.0 20.5 24.9 54 55 A R E -e 38 0B 78 -17,-1.6 -15,-2.6 -3,-0.0 2,-0.3 -0.985 69.3-154.5-144.5 152.5 16.8 21.9 28.3 55 56 A S E -e 39 0B 50 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.954 6.6-173.2-132.4 151.2 16.4 25.4 29.9 56 57 A H E -e 40 0B 48 -17,-2.1 -15,-1.4 -2,-0.3 2,-0.5 -0.977 13.8-146.4-140.3 149.7 16.4 26.8 33.4 57 58 A V E +e 41 0B 59 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.987 37.4 136.2-122.8 119.8 15.6 30.3 34.7 58 59 A I - 0 0 27 -17,-2.2 2,-1.0 -2,-0.5 -2,-0.0 -0.926 62.3 -81.6-150.9 174.8 17.5 31.6 37.8 59 60 A N > - 0 0 72 -2,-0.3 3,-1.7 1,-0.2 7,-0.2 -0.753 37.3-162.6 -86.1 106.5 19.3 34.5 39.3 60 61 A M T 3 S+ 0 0 10 -2,-1.0 26,-2.4 1,-0.3 -1,-0.2 0.594 87.3 58.5 -68.5 -10.4 22.7 34.2 37.7 61 62 A L T 3 S+ 0 0 95 24,-0.3 2,-0.8 25,-0.1 -1,-0.3 0.408 85.6 93.1 -96.7 -1.6 24.3 36.5 40.2 62 63 A D <> - 0 0 52 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 -0.835 60.8-163.9 -97.2 104.6 23.2 34.2 43.0 63 64 A G H > S+ 0 0 16 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.861 91.1 52.6 -55.5 -39.3 26.1 31.8 43.7 64 65 A D H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.926 109.9 47.7 -63.8 -44.7 23.8 29.4 45.6 65 66 A A H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.883 112.0 51.8 -61.1 -41.2 21.4 29.3 42.6 66 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -7,-0.2 5,-0.3 0.943 108.2 49.9 -61.5 -49.6 24.3 28.7 40.4 67 68 A R H X S+ 0 0 59 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.923 108.8 53.7 -58.2 -41.1 25.5 25.9 42.4 68 69 A R H X S+ 0 0 148 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.0 43.5 -61.0 -43.6 22.1 24.3 42.4 69 70 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.887 113.7 51.3 -70.9 -35.1 21.7 24.2 38.7 70 71 A V H X S+ 0 0 14 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.904 111.2 47.9 -67.2 -40.2 25.2 23.1 38.2 71 72 A E H < S+ 0 0 119 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.915 114.0 48.4 -66.0 -37.1 24.6 20.2 40.6 72 73 A L H < S+ 0 0 112 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.924 123.0 29.9 -66.1 -46.3 21.3 19.3 38.9 73 74 A E H < S- 0 0 20 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.660 83.9-152.7 -91.4 -19.0 22.7 19.3 35.3 74 75 A K < - 0 0 143 -4,-2.5 -61,-0.2 -5,-0.2 -3,-0.1 0.885 22.5-169.7 44.5 53.0 26.3 18.3 35.9 75 76 A P - 0 0 10 0, 0.0 -61,-0.2 0, 0.0 24,-0.2 -0.362 27.4-142.4 -69.2 155.8 27.6 20.0 32.8 76 77 A H S S+ 0 0 88 -63,-2.2 23,-1.3 1,-0.2 2,-0.4 0.775 88.7 29.2 -82.6 -30.2 31.2 19.4 31.7 77 78 A Y E -df 14 99B 36 -64,-1.8 -62,-2.9 21,-0.1 2,-0.5 -0.983 62.3-155.7-132.7 145.7 31.5 23.1 30.7 78 79 A I E -df 15 100B 0 21,-2.5 23,-2.9 -2,-0.4 -62,-0.2 -0.991 15.1-171.4-119.6 120.4 30.0 26.3 31.9 79 80 A V E -d 16 0B 6 -64,-3.3 -62,-2.0 -2,-0.5 2,-0.1 -0.902 8.8-155.5-116.8 97.9 30.0 29.0 29.1 80 81 A P E -d 17 0B 4 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.459 12.5-169.6 -77.8 147.3 29.0 32.5 30.4 81 82 A E + 0 0 28 -64,-3.0 2,-0.3 -2,-0.1 -63,-0.2 0.592 67.5 37.9-106.9 -20.0 27.6 35.1 28.0 82 83 A I S S- 0 0 61 -65,-0.7 -1,-0.1 1,-0.1 3,-0.1 -0.855 71.9-122.2-131.8 168.5 27.7 38.2 30.2 83 84 A E S S+ 0 0 43 -2,-0.3 2,-1.6 1,-0.2 4,-0.2 0.810 91.8 80.7 -78.9 -34.5 29.8 39.9 32.8 84 85 A A + 0 0 37 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.551 67.6 113.9 -81.7 78.1 27.1 40.0 35.6 85 86 A I S S- 0 0 2 -2,-1.6 2,-2.1 22,-0.1 -24,-0.3 -0.925 81.4 -82.6-140.6 163.0 27.3 36.5 37.0 86 87 A A > + 0 0 12 -26,-2.4 4,-2.0 -2,-0.3 3,-0.5 -0.409 51.4 171.3 -69.6 74.0 28.4 34.9 40.4 87 88 A T H > S+ 0 0 4 -2,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.783 70.9 58.1 -59.8 -31.8 32.1 34.8 39.7 88 89 A D H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 108.7 46.8 -66.9 -36.6 33.2 33.7 43.2 89 90 A M H > S+ 0 0 28 -3,-0.5 4,-3.3 2,-0.2 5,-0.3 0.880 108.0 56.5 -69.1 -36.1 31.0 30.6 42.8 90 91 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.914 106.3 50.3 -60.5 -39.3 32.5 30.1 39.4 91 92 A I H X S+ 0 0 43 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.923 112.5 47.0 -62.2 -42.9 35.9 30.0 41.0 92 93 A Q H X S+ 0 0 78 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 112.1 48.9 -62.4 -52.0 34.7 27.5 43.6 93 94 A L H <>S+ 0 0 6 -4,-3.3 5,-2.7 1,-0.2 -1,-0.2 0.866 109.1 53.9 -58.1 -37.4 33.1 25.3 41.0 94 95 A E H ><5S+ 0 0 69 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 0.921 107.6 49.1 -65.8 -41.6 36.2 25.4 39.0 95 96 A E H 3<5S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.908 105.9 58.5 -62.5 -38.3 38.2 24.2 41.9 96 97 A E T 3<5S- 0 0 102 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.370 135.3 -86.2 -71.3 2.6 35.6 21.4 42.4 97 98 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.358 82.3 138.0 109.6 -3.1 36.4 20.2 38.8 98 99 A L < - 0 0 18 -5,-2.7 2,-0.9 -6,-0.1 -1,-0.3 -0.587 51.6-131.2 -80.7 137.8 34.1 22.3 36.5 99 100 A N E -f 77 0B 64 -23,-1.3 -21,-2.5 -2,-0.3 2,-0.5 -0.792 24.8-167.3 -88.9 107.2 35.5 23.7 33.3 100 101 A V E -f 78 0B 0 -2,-0.9 -21,-0.2 -23,-0.2 4,-0.1 -0.826 33.4 -94.5 -94.6 124.9 34.6 27.4 33.3 101 102 A V S S- 0 0 2 -23,-2.9 2,-0.1 -2,-0.5 156,-0.1 -0.780 101.0 -10.1 -93.2 131.6 35.1 28.9 29.8 102 103 A P S S- 0 0 6 0, 0.0 154,-0.5 0, 0.0 2,-0.3 -0.910 130.1 -59.8 -76.6 -30.3 37.7 30.4 29.3 103 104 A C > - 0 0 22 152,-0.2 4,-1.4 174,-0.1 5,-0.1 -0.922 39.0-110.7-167.9 154.7 38.6 30.2 33.0 104 105 A A H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 -13,-0.2 0.858 116.8 56.1 -61.6 -37.6 37.0 31.4 36.3 105 106 A R H > S+ 0 0 113 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.924 103.8 53.2 -61.6 -42.2 39.7 34.0 36.8 106 107 A A H > S+ 0 0 0 147,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.889 112.0 46.6 -61.5 -35.1 39.1 35.5 33.4 107 108 A T H X S+ 0 0 2 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.869 111.7 49.7 -74.2 -35.7 35.5 35.9 34.4 108 109 A K H >< S+ 0 0 102 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.941 111.1 49.6 -66.2 -47.3 36.3 37.3 37.8 109 110 A L H 3< S+ 0 0 31 -4,-3.0 7,-1.5 1,-0.2 3,-0.4 0.859 115.6 42.3 -59.6 -36.9 38.7 39.9 36.3 110 111 A T H 3< S+ 0 0 7 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.480 88.4 83.0 -95.4 0.5 36.3 41.2 33.7 111 112 A M S << S+ 0 0 31 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.801 103.7 29.4 -76.6 -16.1 33.1 41.4 35.5 112 113 A N S > S- 0 0 49 -4,-0.5 4,-1.2 -3,-0.4 3,-0.4 -0.984 82.4-122.8-136.1 148.1 34.1 44.8 36.8 113 114 A R H > S+ 0 0 21 43,-3.0 4,-2.8 -2,-0.3 5,-0.3 0.754 104.0 63.9 -60.9 -28.7 36.3 47.4 35.3 114 115 A E H > S+ 0 0 42 2,-0.2 4,-2.0 3,-0.2 5,-0.4 0.926 100.9 49.0 -64.2 -44.9 38.7 47.5 38.2 115 116 A G H > S+ 0 0 24 -3,-0.4 4,-1.8 1,-0.2 -5,-0.2 0.971 119.5 36.2 -59.3 -55.9 39.9 44.0 37.8 116 117 A I H X S+ 0 0 13 -7,-1.5 4,-2.8 -4,-1.2 5,-0.2 0.907 116.5 51.0 -67.5 -43.4 40.6 44.2 34.1 117 118 A R H X S+ 0 0 11 -4,-2.8 4,-2.9 -5,-0.2 5,-0.4 0.941 112.7 45.5 -62.1 -45.4 41.8 47.8 33.9 118 119 A R H X>S+ 0 0 81 -4,-2.0 4,-2.0 -5,-0.3 5,-1.6 0.909 113.5 50.8 -66.1 -37.3 44.4 47.4 36.7 119 120 A L H <>S+ 0 0 4 -4,-1.8 5,-2.8 -5,-0.4 6,-0.4 0.978 115.8 41.1 -62.3 -52.5 45.6 44.1 35.3 120 121 A A H <5S+ 0 0 0 -4,-2.8 6,-2.8 3,-0.2 -2,-0.2 0.954 126.7 30.8 -60.1 -52.6 46.1 45.5 31.8 121 122 A A H <5S+ 0 0 20 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.897 131.4 29.1 -76.6 -43.9 47.5 48.8 32.8 122 123 A E T <5S+ 0 0 94 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.927 130.1 28.6 -85.1 -54.8 49.4 48.0 36.0 123 124 A E T S- 0 0 42 1,-0.1 4,-2.3 51,-0.1 5,-0.1 -0.955 82.4-113.5-148.2 158.4 31.9 58.7 46.4 137 138 A E H > S+ 0 0 79 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.918 119.1 49.6 -59.9 -42.6 30.6 61.8 44.7 138 139 A S H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 112.4 44.4 -63.6 -42.5 33.4 63.7 46.3 139 140 A L H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.830 110.6 58.4 -70.8 -28.7 36.1 61.3 45.3 140 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 106.5 46.4 -62.4 -49.4 34.4 61.4 41.9 141 142 A R H X S+ 0 0 96 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.915 111.0 52.7 -61.7 -39.9 34.9 65.1 41.6 142 143 A E H X S+ 0 0 110 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 108.2 51.5 -61.9 -42.0 38.5 64.8 42.7 143 144 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.931 109.1 49.5 -61.8 -45.9 39.1 62.2 40.1 144 145 A V H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.929 109.3 51.9 -59.6 -44.6 37.6 64.4 37.3 145 146 A A H < S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.6 43.0 -60.1 -39.8 39.8 67.4 38.4 146 147 A D H < S+ 0 0 113 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.910 118.3 43.1 -72.1 -41.2 42.9 65.2 38.2 147 148 A I H < S- 0 0 36 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.892 103.6-148.5 -71.2 -43.2 42.0 63.5 34.9 148 149 A G < - 0 0 24 -4,-3.4 -1,-0.1 -5,-0.3 -2,-0.1 -0.176 28.1 -18.9 96.3 169.6 40.8 66.6 33.3 149 150 A Y S S+ 0 0 97 -4,-0.1 19,-0.1 19,-0.1 2,-0.1 -0.806 110.1 33.4-104.5 142.9 38.1 67.5 30.6 150 151 A P S S+ 0 0 60 0, 0.0 42,-1.1 0, 0.0 2,-0.3 0.592 81.1 147.3 -84.6 164.5 36.8 66.0 28.7 151 152 A C E -RS 167 191D 0 16,-1.9 16,-3.2 40,-0.2 2,-0.4 -0.927 39.2-124.4-147.5 168.6 36.5 62.6 30.4 152 153 A I E -RS 166 190D 33 38,-2.2 38,-2.9 -2,-0.3 2,-0.4 -0.985 15.6-157.3-122.7 130.2 34.0 59.7 30.6 153 154 A V E +RS 165 189D 0 12,-1.9 12,-1.7 -2,-0.4 36,-0.2 -0.870 18.1 172.8-104.6 139.5 32.5 58.4 33.7 154 155 A K E - S 0 188D 19 34,-2.2 34,-2.8 -2,-0.4 10,-0.1 -0.998 38.2-106.6-144.8 144.3 31.2 54.8 33.8 155 156 A P E - S 0 187D 3 0, 0.0 32,-0.2 0, 0.0 3,-0.2 -0.374 33.6-125.2 -60.2 149.3 29.8 52.4 36.4 156 157 A V S S+ 0 0 16 30,-1.9 -43,-3.0 1,-0.2 2,-0.5 0.743 105.0 45.3 -71.4 -22.6 32.5 49.7 37.2 157 158 A M S S+ 0 0 73 29,-0.3 2,-0.3 -45,-0.2 -1,-0.2 -0.857 91.9 98.2-120.5 95.2 29.9 47.0 36.5 158 159 A S - 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