==== 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 TRANSFERASE 18-AUG-03 1Q7E . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YFDW; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GOGOS,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH . 412 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 1 4 2 0 0 1 1 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 3 A L 0 0 232 0, 0.0 2,-0.3 0, 0.0 372,-0.1 0.000 360.0 360.0 360.0 -19.5 63.6 19.4 3.1 2 4 A S - 0 0 75 370,-0.2 28,-0.0 4,-0.0 3,-0.0 -0.982 360.0-155.1-150.9 152.9 59.9 18.6 3.1 3 5 A T > - 0 0 47 -2,-0.3 3,-1.4 27,-0.1 27,-0.1 -0.901 32.0-110.8-125.4 159.9 57.7 15.6 3.6 4 6 A P T 3 S+ 0 0 79 0, 0.0 26,-0.2 0, 0.0 25,-0.1 0.841 116.9 32.4 -55.6 -38.6 54.1 15.0 2.4 5 7 A L T > S+ 0 0 15 24,-2.7 3,-2.2 21,-0.1 27,-0.2 0.033 80.9 155.7-113.1 23.0 52.6 15.1 5.9 6 8 A Q T < S+ 0 0 117 -3,-1.4 25,-0.2 1,-0.3 3,-0.1 -0.274 73.1 14.0 -48.8 126.8 54.9 17.6 7.5 7 9 A G T 3 S+ 0 0 67 23,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.335 91.1 134.6 86.1 -8.1 53.1 19.2 10.5 8 10 A I < - 0 0 22 -3,-2.2 24,-2.9 22,-0.1 2,-0.5 -0.594 42.5-152.0 -76.8 134.6 50.3 16.7 10.6 9 11 A K E -a 32 0A 54 -2,-0.3 82,-2.9 22,-0.2 83,-2.1 -0.954 10.7-168.1-114.8 122.8 49.5 15.5 14.2 10 12 A V E -ab 33 92A 1 22,-3.0 24,-2.8 -2,-0.5 2,-0.6 -0.924 14.9-155.7-116.3 131.5 48.0 12.0 14.7 11 13 A L E -ab 34 93A 5 81,-2.9 83,-2.6 -2,-0.4 2,-0.7 -0.934 22.4-163.2-101.9 118.5 46.4 10.6 17.9 12 14 A D E +ab 35 94A 1 22,-3.1 24,-2.4 -2,-0.6 83,-0.2 -0.869 29.6 162.3-119.5 104.7 46.8 6.9 17.6 13 15 A F + 0 0 46 81,-2.7 83,-0.2 -2,-0.7 82,-0.2 0.378 42.8 125.6 -92.3 3.5 44.8 4.5 19.7 14 16 A T - 0 0 6 80,-0.3 2,-0.3 81,-0.1 29,-0.1 -0.201 33.8-179.8 -74.6 155.1 45.4 1.5 17.5 15 17 A G > + 0 0 16 81,-0.1 4,-0.5 28,-0.1 2,-0.4 -0.881 47.7 20.5-140.0 172.3 46.9 -1.9 18.4 16 18 A V T 4 S- 0 0 34 -2,-0.3 27,-0.0 1,-0.2 147,-0.0 -0.533 108.5 -51.1 67.5-122.0 47.8 -5.2 16.8 17 19 A Q T > S+ 0 0 37 -2,-0.4 4,-2.3 3,-0.1 5,-0.3 0.793 117.3 60.3-124.3 -44.2 48.2 -4.9 13.0 18 20 A S H > S+ 0 0 2 2,-0.2 4,-1.6 395,-0.2 -2,-0.1 0.979 115.9 32.4 -56.0 -61.8 45.5 -3.2 10.9 19 21 A G H X S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.927 118.9 52.2 -64.3 -48.3 45.6 0.2 12.6 20 22 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.870 105.6 55.1 -60.1 -34.0 49.3 0.3 13.5 21 23 A S H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.934 110.0 48.4 -62.0 -42.3 50.3 -0.6 9.9 22 24 A C H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.951 114.6 42.8 -59.7 -51.3 48.2 2.5 8.8 23 25 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.772 106.6 61.5 -75.7 -22.9 49.7 4.9 11.3 24 26 A Q H X S+ 0 0 12 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.926 106.5 47.6 -62.9 -43.8 53.3 3.6 10.7 25 27 A X H X S+ 0 0 7 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.898 107.6 55.3 -62.9 -39.9 52.9 4.7 7.1 26 28 A L H <>S+ 0 0 0 -4,-1.7 5,-2.4 1,-0.2 3,-0.2 0.928 109.2 48.2 -58.5 -41.2 51.6 8.1 8.3 27 29 A A H ><5S+ 0 0 9 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.917 108.5 52.6 -65.7 -42.2 54.8 8.5 10.4 28 30 A W H 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.9 56.6 -65.8 -24.2 57.0 7.5 7.4 29 31 A F T 3<5S- 0 0 14 -4,-1.6 -24,-2.7 -3,-0.2 -1,-0.3 0.424 131.8 -91.9 -86.4 0.5 55.2 10.2 5.4 30 32 A G T < 5S+ 0 0 29 -3,-1.7 -23,-0.5 1,-0.3 -3,-0.2 0.371 78.9 137.9 111.7 -3.4 56.3 12.8 8.0 31 33 A A < - 0 0 9 -5,-2.4 2,-0.8 -6,-0.2 -1,-0.3 -0.397 58.0-118.2 -71.9 152.9 53.3 13.0 10.4 32 34 A D E -a 9 0A 51 -24,-2.9 -22,-3.0 -27,-0.2 2,-0.7 -0.833 34.9-164.8 -87.4 110.5 53.9 13.1 14.2 33 35 A V E -a 10 0A 1 -2,-0.8 35,-3.1 33,-0.4 2,-0.7 -0.884 6.5-167.3-106.5 112.6 52.2 9.9 15.4 34 36 A I E -ac 11 68A 10 -24,-2.8 -22,-3.1 -2,-0.7 2,-0.5 -0.892 10.5-150.1-101.7 112.2 51.5 9.7 19.1 35 37 A K E -ac 12 69A 1 33,-3.4 35,-2.7 -2,-0.7 2,-0.7 -0.699 7.9-150.8 -77.8 125.9 50.5 6.2 20.3 36 38 A I E - c 0 70A 17 -24,-2.4 2,-0.3 -2,-0.5 35,-0.2 -0.901 25.7-175.1-103.5 108.9 48.2 6.5 23.3 37 39 A E E - c 0 71A 9 33,-2.8 35,-2.2 -2,-0.7 3,-0.1 -0.779 32.7-101.3-115.8 150.7 48.8 3.4 25.4 38 40 A R >> - 0 0 121 -2,-0.3 3,-2.0 33,-0.2 4,-1.8 -0.463 54.0-103.1 -64.2 121.5 47.3 1.8 28.5 39 41 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 -0.250 100.0 4.4 -53.1 132.2 49.7 2.6 31.4 40 42 A G T 34 S+ 0 0 63 1,-0.2 -2,-0.1 -3,-0.1 343,-0.0 0.411 134.8 48.7 79.5 -1.7 52.0 -0.4 32.4 41 43 A V T <4 S+ 0 0 72 -3,-2.0 -1,-0.2 5,-0.0 5,-0.1 0.593 73.4 175.3-133.6 -60.8 50.7 -2.6 29.5 42 44 A G < - 0 0 9 -4,-1.8 5,-0.1 4,-0.1 -27,-0.0 -0.084 52.8 -7.5 73.9-175.5 50.7 -0.9 26.2 43 45 A D > - 0 0 12 1,-0.1 3,-2.0 -29,-0.1 4,-0.4 -0.228 67.7-125.1 -50.7 133.2 49.9 -2.4 22.7 44 46 A V G >> S+ 0 0 56 1,-0.3 3,-1.5 2,-0.2 4,-0.8 0.796 105.9 69.7 -54.8 -30.5 49.4 -6.2 23.0 45 47 A T G 34 S+ 0 0 0 1,-0.3 15,-0.9 2,-0.2 12,-0.3 0.729 83.4 72.2 -63.4 -17.7 52.0 -6.8 20.3 46 48 A R G <4 S+ 0 0 6 -3,-2.0 11,-1.6 1,-0.2 -1,-0.3 0.837 111.7 28.4 -60.8 -32.5 54.7 -5.6 22.7 47 49 A H T X4 S+ 0 0 88 -3,-1.5 3,-0.5 -4,-0.4 2,-0.4 0.441 99.7 98.8-111.2 0.2 54.2 -8.8 24.6 48 50 A Q T 3< S- 0 0 73 -4,-0.8 11,-0.5 1,-0.2 12,-0.2 -0.752 94.2 -3.4 -97.2 135.7 53.1 -11.3 21.9 49 51 A L T 3 S- 0 0 145 -2,-0.4 9,-0.4 1,-0.2 -1,-0.2 0.845 83.8-174.8 62.5 35.8 55.4 -13.8 20.2 50 52 A R < - 0 0 104 -3,-0.5 -1,-0.2 7,-0.1 7,-0.1 -0.320 23.1-172.3 -60.4 145.6 58.5 -12.4 22.0 51 53 A D S S+ 0 0 89 1,-0.3 -1,-0.1 4,-0.1 6,-0.1 0.494 77.6 44.6-111.6 -12.6 61.9 -13.8 21.0 52 54 A I S > S- 0 0 60 3,-0.3 3,-1.3 4,-0.0 -1,-0.3 -0.999 97.8-104.3-132.3 127.8 63.9 -12.1 23.8 53 55 A P T 3 S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.218 92.3 -3.2 -55.7 134.8 62.6 -12.0 27.4 54 56 A D T 3 S+ 0 0 141 1,-0.1 2,-0.3 -7,-0.1 -7,-0.0 0.520 105.0 101.4 66.6 12.7 61.1 -8.8 28.7 55 57 A I S < S- 0 0 26 -3,-1.3 -3,-0.3 1,-0.1 -1,-0.1 -0.889 85.2 -74.8-122.9 161.9 61.6 -6.6 25.7 56 58 A D - 0 0 23 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.2 -0.227 54.2-116.5 -56.3 134.3 59.2 -5.5 23.0 57 59 A A >> - 0 0 0 -11,-1.6 4,-2.2 -12,-0.3 3,-0.6 -0.248 16.9-115.5 -65.9 157.4 58.4 -8.2 20.5 58 60 A L H 3> S+ 0 0 54 -9,-0.4 4,-2.3 1,-0.2 5,-0.2 0.799 116.4 68.0 -61.2 -30.7 59.2 -8.0 16.8 59 61 A Y H 34 S+ 0 0 60 -11,-0.5 -1,-0.2 -14,-0.2 4,-0.2 0.932 108.6 37.8 -55.2 -40.7 55.5 -8.0 16.2 60 62 A F H X> S+ 0 0 0 -15,-0.9 3,-1.6 -3,-0.6 4,-0.9 0.940 114.5 51.3 -74.5 -49.0 55.6 -4.5 17.8 61 63 A T H 3< S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.3 3,-0.3 0.812 107.4 53.2 -66.4 -27.0 58.8 -3.1 16.4 62 64 A X T 3< S+ 0 0 68 -4,-2.3 -1,-0.3 1,-0.2 302,-0.3 0.497 117.0 38.5 -84.2 -6.5 57.9 -3.9 12.8 63 65 A L T <4 S+ 0 0 17 -3,-1.6 -39,-0.2 -4,-0.2 -1,-0.2 0.382 116.1 47.4-117.7 -0.7 54.6 -2.1 13.1 64 66 A N >< + 0 0 0 -4,-0.9 3,-1.5 -3,-0.3 -2,-0.1 0.159 67.7 145.4-136.6 21.9 55.5 1.0 15.2 65 67 A S T 3 S+ 0 0 0 -4,-0.3 315,-0.2 1,-0.2 314,-0.2 -0.263 72.7 13.6 -57.1 142.9 58.7 2.4 13.8 66 68 A N T 3 S+ 0 0 38 313,-1.9 -33,-0.4 1,-0.2 -1,-0.2 0.497 97.8 124.7 71.7 5.9 58.9 6.2 14.0 67 69 A K < - 0 0 7 -3,-1.5 2,-0.3 312,-0.2 -1,-0.2 -0.595 55.0-132.0 -92.6 160.1 56.0 6.6 16.5 68 70 A R E -c 34 0A 38 -35,-3.1 -33,-3.4 -2,-0.2 2,-0.4 -0.766 19.9-145.8-101.3 154.2 56.0 8.3 19.9 69 71 A S E +c 35 0A 0 -2,-0.3 317,-2.6 -35,-0.2 318,-0.4 -0.987 17.6 176.2-126.3 126.4 54.5 6.6 22.9 70 72 A I E -c 36 0A 6 -35,-2.7 -33,-2.8 -2,-0.4 2,-0.5 -0.948 24.3-137.6-118.9 150.3 52.6 8.1 25.9 71 73 A E E +c 37 0A 64 -2,-0.4 2,-0.4 313,-0.2 -33,-0.2 -0.923 32.6 174.1-101.6 127.7 50.9 6.3 28.7 72 74 A L - 0 0 23 -35,-2.2 2,-0.8 -2,-0.5 3,-0.1 -0.984 28.1-157.2-144.9 126.1 47.6 7.9 29.5 73 75 A N > - 0 0 64 -2,-0.4 3,-1.2 1,-0.1 6,-0.3 -0.863 8.8-174.6-100.3 100.3 44.7 6.9 31.9 74 76 A T T 3 S+ 0 0 74 -2,-0.8 6,-0.2 1,-0.3 -1,-0.1 0.640 72.9 78.7 -69.5 -12.5 41.6 8.6 30.5 75 77 A K T 3 S+ 0 0 90 4,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.345 83.9 74.3 -82.3 7.2 39.6 7.4 33.5 76 78 A T S <> S- 0 0 51 -3,-1.2 4,-2.4 1,-0.1 5,-0.2 -0.799 89.9-113.2-114.1 161.7 40.9 10.2 35.8 77 79 A A H > S+ 0 0 84 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 0.885 119.5 44.9 -57.3 -41.7 40.2 14.0 35.9 78 80 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.857 110.6 53.7 -75.6 -33.9 43.7 14.8 34.6 79 81 A G H > S+ 0 0 3 -6,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.895 109.2 48.5 -64.0 -42.6 43.7 12.1 31.9 80 82 A K H X S+ 0 0 37 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 111.1 51.2 -64.3 -40.2 40.4 13.5 30.5 81 83 A E H X S+ 0 0 96 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.898 110.6 47.9 -62.5 -41.0 41.9 17.0 30.5 82 84 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 110.7 52.8 -64.5 -44.1 45.0 15.8 28.7 83 85 A X H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.905 107.7 50.1 -59.1 -45.1 42.8 14.0 26.2 84 86 A E H X S+ 0 0 63 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.926 110.8 49.2 -61.7 -43.0 40.8 17.1 25.4 85 87 A K H X S+ 0 0 82 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.900 111.1 50.5 -62.6 -39.4 43.9 19.2 24.9 86 88 A L H >X S+ 0 0 8 -4,-2.5 4,-1.1 1,-0.2 3,-0.6 0.919 109.8 49.9 -63.4 -46.4 45.3 16.5 22.5 87 89 A I H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.910 105.7 56.9 -59.8 -42.6 42.1 16.4 20.5 88 90 A R H 3< S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.9 38.3 -56.1 -30.7 42.1 20.2 20.2 89 91 A E H << S+ 0 0 123 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.588 97.6 100.4 -96.3 -15.8 45.5 20.1 18.6 90 92 A A << - 0 0 4 -4,-1.1 -80,-0.2 -3,-0.6 22,-0.1 -0.373 48.5-165.2 -85.1 153.8 45.3 17.0 16.4 91 93 A D S S+ 0 0 22 -82,-2.9 23,-2.8 1,-0.3 2,-0.3 0.773 80.5 21.4 -94.4 -34.9 44.6 16.5 12.7 92 94 A I E -bd 10 114A 0 -83,-2.1 -81,-2.9 21,-0.2 2,-0.4 -0.990 56.6-166.8-140.5 138.8 43.8 12.8 12.8 93 95 A L E -bd 11 115A 11 21,-2.4 23,-3.3 -2,-0.3 2,-0.4 -0.996 16.2-170.0-123.7 130.6 42.5 10.4 15.4 94 96 A V E +bd 12 116A 0 -83,-2.6 -81,-2.7 -2,-0.4 -80,-0.3 -0.980 9.6 168.1-125.9 135.9 42.7 6.6 14.6 95 97 A E E - d 0 117A 22 21,-2.0 23,-2.1 -2,-0.4 -81,-0.1 -0.995 20.6-179.0-142.2 151.1 41.3 3.6 16.5 96 98 A N + 0 0 15 -2,-0.3 -77,-0.1 -83,-0.2 -78,-0.1 -0.156 29.7 159.1-138.3 41.5 40.7 -0.1 15.8 97 99 A F - 0 0 117 1,-0.1 -2,-0.1 -83,-0.0 -83,-0.0 -0.257 47.4-101.9 -63.6 150.9 39.0 -1.3 18.9 98 100 A H 0 0 70 315,-0.2 -1,-0.1 1,-0.1 33,-0.1 -0.339 360.0 360.0 -59.4 154.2 36.9 -4.5 19.1 99 101 A P 0 0 71 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.197 360.0 360.0 -51.6 360.0 33.2 -3.8 19.0 100 ! 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 0.0 101 109 A F 0 0 109 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.2 34.5 11.7 23.9 102 110 A T > - 0 0 86 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.383 360.0-109.8 -74.3 160.4 31.8 11.1 21.2 103 111 A W H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 121.6 57.1 -56.5 -38.6 32.3 12.0 17.6 104 112 A E H > S+ 0 0 135 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.927 109.7 43.4 -58.1 -46.9 29.7 14.7 18.1 105 113 A H H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.915 111.2 54.1 -66.1 -43.8 31.7 16.2 20.9 106 114 A I H X S+ 0 0 8 -4,-2.6 4,-3.1 1,-0.2 7,-0.2 0.903 104.9 54.4 -58.8 -43.1 35.0 15.9 19.0 107 115 A Q H < S+ 0 0 54 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.8 47.9 -58.7 -35.3 33.6 17.8 16.0 108 116 A E H < S+ 0 0 79 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.885 115.1 44.5 -74.1 -40.5 32.7 20.6 18.4 109 117 A I H < S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.864 136.6 8.0 -64.2 -41.2 36.1 20.6 20.0 110 118 A N >< - 0 0 15 -4,-3.1 3,-1.7 -5,-0.2 -1,-0.2 -0.699 57.4-177.5-153.2 90.0 37.9 20.4 16.6 111 119 A P T 3 S+ 0 0 58 0, 0.0 76,-2.5 0, 0.0 -4,-0.1 0.536 87.4 59.7 -69.8 -7.2 36.0 20.7 13.4 112 120 A R T 3 S+ 0 0 116 74,-0.3 2,-0.2 -22,-0.1 76,-0.1 0.518 80.4 113.6 -93.5 -10.7 39.2 20.1 11.4 113 121 A L < - 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0 0 17 -5,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.572 44.6-125.2 -74.4 137.6 52.0 21.4 31.4 397 405 A S > - 0 0 54 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.376 22.8-107.9 -72.9 163.0 54.7 22.6 33.8 398 406 A D H > S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 122.3 50.6 -60.0 -39.6 57.4 20.2 35.3 399 407 A D H > S+ 0 0 137 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 109.8 50.3 -64.3 -38.7 55.6 20.3 38.7 400 408 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.8 47.8 -64.4 -41.5 52.3 19.5 37.0 401 409 A I H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.958 111.9 49.2 -64.6 -48.9 53.9 16.5 35.2 402 410 A A H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.898 111.0 50.9 -54.3 -44.4 55.5 15.3 38.4 403 411 A A H X S+ 0 0 46 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.873 109.2 50.5 -61.5 -40.0 52.2 15.6 40.2 404 412 A X H X S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.895 111.8 47.4 -63.8 -41.9 50.4 13.6 37.5 405 413 A K H X S+ 0 0 112 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 114.0 47.9 -66.6 -42.6 53.0 10.8 37.7 406 414 A Q H X S+ 0 0 114 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.925 109.0 52.1 -63.0 -47.8 52.8 10.8 41.5 407 415 A N H X S+ 0 0 85 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 112.4 47.9 -54.8 -40.5 49.0 10.7 41.5 408 416 A H H < S+ 0 0 99 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.917 109.1 51.5 -68.0 -46.3 49.2 7.7 39.2 409 417 A A H < S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 114.5 45.1 -59.6 -36.0 51.8 5.9 41.2 410 418 A I H < 0 0 125 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.899 360.0 360.0 -75.6 -43.2 49.6 6.3 44.3 411 419 A E < 0 0 116 -4,-2.3 -3,-0.0 -5,-0.2 -4,-0.0 -0.112 360.0 360.0 -52.5 360.0 46.3 5.3 42.8 412 ! 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 0.0 413 500 A M 0 0 10 0, 0.0 -294,-0.3 0, 0.0 -315,-0.2 0.000 360.0 360.0 360.0 360.0 38.3 -4.8 15.5 414 ! 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 0.0 415 600 A M 0 0 93 0, 0.0 -111,-0.5 0, 0.0 -112,-0.2 0.000 360.0 360.0 360.0 360.0 51.9 -31.3 -13.1