==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-10 3N1C . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE ISOZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.M.PEREIRA,R.CABRERA,A.CANIUGUIR,R.C.GARRATT,J.BABUL . 1230 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 925 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 103 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 398 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.1 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 2 2 0 4 15 1 8 3 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 6 6 5 3 1 3 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 0 10 6 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 4 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 1 A M 0 0 131 0, 0.0 2,-0.2 0, 0.0 267,-0.2 0.000 360.0 360.0 360.0 134.1 33.2 -50.8 44.7 2 2 A V - 0 0 48 265,-1.2 130,-0.1 1,-0.1 129,-0.1 -0.590 360.0 -91.8 -88.4 158.1 36.8 -50.4 43.5 3 3 A R - 0 0 131 -2,-0.2 130,-2.7 126,-0.0 2,-0.4 -0.363 38.1-142.6 -72.8 153.2 39.0 -47.8 45.2 4 4 A I E +ab 55 133A 1 50,-0.7 52,-2.0 128,-0.2 2,-0.3 -0.963 21.0 172.2-122.4 133.2 39.1 -44.3 43.9 5 5 A Y E -ab 56 134A 21 128,-2.5 130,-2.5 -2,-0.4 2,-0.3 -0.944 12.4-157.7-129.8 154.7 42.1 -41.9 43.7 6 6 A T E -ab 57 135A 0 50,-2.4 52,-2.8 -2,-0.3 2,-0.4 -0.932 4.8-150.0-127.7 158.3 42.6 -38.5 42.1 7 7 A L E -ab 58 136A 0 128,-2.8 130,-2.0 -2,-0.3 2,-0.5 -0.996 10.3-177.1-130.7 127.8 45.7 -36.7 40.9 8 8 A T + 0 0 0 50,-2.2 130,-0.1 -2,-0.4 132,-0.1 -0.888 6.1 178.9-126.2 98.9 46.1 -32.9 40.9 9 9 A L S S+ 0 0 7 -2,-0.5 -1,-0.1 1,-0.3 131,-0.1 0.734 85.8 38.8 -71.9 -20.8 49.4 -31.8 39.4 10 10 A A S S+ 0 0 1 129,-0.3 30,-0.3 127,-0.3 -1,-0.3 -0.687 79.7 179.6-128.6 77.5 48.4 -28.2 39.9 11 11 A P - 0 0 9 0, 0.0 79,-0.5 0, 0.0 100,-0.4 -0.223 11.2-152.1 -70.0 170.1 46.5 -27.8 43.2 12 12 A S E -J 38 0B 0 26,-2.1 26,-1.6 77,-0.1 2,-0.9 -0.996 20.8-139.9-145.1 139.2 45.2 -24.4 44.4 13 13 A L E -Jk 37 91B 1 77,-2.9 79,-0.8 -2,-0.3 2,-0.6 -0.901 36.5-146.3 -89.0 105.6 44.5 -22.7 47.6 14 14 A D E -Jk 36 92B 34 22,-2.1 22,-1.9 -2,-0.9 2,-0.4 -0.660 14.4-166.0 -82.3 117.0 41.3 -20.9 46.6 15 15 A S E -Jk 35 93B 3 77,-2.9 79,-2.7 -2,-0.6 2,-0.4 -0.816 3.9-166.0 -99.2 142.5 40.7 -17.5 48.2 16 16 A A E +Jk 34 94B 28 18,-3.0 18,-2.9 -2,-0.4 2,-0.3 -0.990 10.3 170.8-130.5 138.9 37.3 -15.9 48.0 17 17 A T E - k 0 95B 3 77,-2.7 79,-2.5 -2,-0.4 2,-0.4 -0.926 23.4-131.4-142.9 165.5 36.3 -12.3 48.7 18 18 A I E + k 0 96B 66 -2,-0.3 13,-1.6 77,-0.2 79,-0.2 -0.959 22.1 172.0-124.1 138.4 33.4 -9.9 48.4 19 19 A T E - k 0 97B 1 77,-2.3 79,-2.0 -2,-0.4 80,-0.2 -0.994 31.7-134.0-143.9 142.4 33.4 -6.3 47.0 20 20 A P S S+ 0 0 57 0, 0.0 79,-2.9 0, 0.0 2,-0.3 0.906 83.8 19.5 -65.1 -43.2 30.5 -4.0 46.3 21 21 A Q - 0 0 104 77,-0.2 2,-0.4 8,-0.1 77,-0.1 -0.875 59.0-148.7-129.0 156.6 31.5 -2.8 42.8 22 22 A I + 0 0 39 -2,-0.3 1008,-0.0 75,-0.1 75,-0.0 -0.972 37.8 128.7-128.4 121.4 33.7 -3.8 39.9 23 23 A Y - 0 0 115 -2,-0.4 1008,-0.4 3,-0.2 5,-0.1 -0.965 54.0 -87.5-160.1 158.0 35.4 -1.1 37.6 24 24 A P S S+ 0 0 40 0, 0.0 2,-2.5 0, 0.0 1006,-0.2 -0.208 94.9 7.2 -70.2 159.2 38.9 -0.4 36.3 25 25 A E S S+ 0 0 47 1004,-3.5 1005,-0.1 1,-0.1 3,-0.0 -0.188 97.6 103.4 75.5 -49.7 41.6 1.8 38.0 26 26 A G S S- 0 0 17 -2,-2.5 2,-0.8 1,-0.1 1005,-0.7 -0.256 83.1 -99.8 -72.3 154.3 39.8 2.4 41.3 27 27 A K E -n 1031 0C 90 1003,-0.1 2,-0.8 1005,-0.1 1005,-0.1 -0.636 35.5-149.5 -73.3 110.1 40.7 0.6 44.6 28 28 A L E -n 1032 0C 4 1003,-2.3 1005,-2.4 -2,-0.8 2,-0.6 -0.749 12.6-135.9 -85.9 109.1 38.1 -2.1 45.0 29 29 A R E -n 1033 0C 129 -2,-0.8 2,-0.3 1003,-0.2 1005,-0.2 -0.535 29.0-172.9 -70.1 111.3 37.6 -2.6 48.7 30 30 A C - 0 0 9 1003,-2.9 -11,-0.2 -2,-0.6 2,-0.1 -0.758 20.9-114.8-109.0 153.8 37.5 -6.4 49.3 31 31 A T - 0 0 63 -13,-1.6 3,-0.1 -2,-0.3 -1,-0.1 -0.384 50.8 -74.2 -80.0 160.2 36.7 -8.4 52.5 32 32 A A - 0 0 67 1,-0.1 -1,-0.1 1002,-0.1 -16,-0.0 -0.375 67.5-103.4 -54.6 122.3 39.2 -10.6 54.3 33 33 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.081 27.2-148.0 -55.5 143.9 39.5 -13.6 52.1 34 34 A V E -J 16 0B 98 -18,-2.9 -18,-3.0 -3,-0.1 2,-0.3 -0.830 21.1-142.2-104.3 153.3 37.8 -16.9 52.9 35 35 A F E +J 15 0B 59 -2,-0.3 -20,-0.2 -20,-0.2 -22,-0.0 -0.875 23.8 168.0-124.2 150.0 39.6 -20.1 51.8 36 36 A E E -J 14 0B 43 -22,-1.9 -22,-2.1 -2,-0.3 37,-0.1 -0.981 43.5 -87.5-151.3 158.8 38.8 -23.5 50.4 37 37 A P E -J 13 0B 1 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.380 52.3-174.3 -65.3 146.7 40.7 -26.4 48.8 38 38 A G E +J 12 0B 0 -26,-1.6 -26,-2.1 -2,-0.0 2,-0.1 -0.936 28.0 86.2-145.6 166.6 41.1 -26.1 45.0 39 39 A G S > S- 0 0 9 -28,-0.3 4,-2.7 -2,-0.3 5,-0.3 -0.144 74.1 -88.6 113.2 145.0 42.3 -27.9 41.9 40 40 A G H > S+ 0 0 7 -30,-0.3 4,-2.1 1,-0.2 98,-0.3 0.926 121.9 37.9 -52.9 -61.9 40.6 -30.3 39.6 41 41 A G H > S+ 0 0 0 96,-1.8 4,-2.1 -34,-0.3 -1,-0.2 0.828 115.6 55.2 -63.6 -34.2 41.3 -33.7 41.1 42 42 A I H > S+ 0 0 0 2,-0.2 4,-2.0 95,-0.2 -1,-0.2 0.925 108.7 46.9 -64.4 -46.4 41.0 -32.3 44.7 43 43 A N H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.860 109.5 55.9 -63.3 -34.7 37.5 -30.9 43.9 44 44 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.921 108.6 46.3 -62.0 -44.3 36.7 -34.3 42.4 45 45 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 10,-0.3 0.867 112.1 52.1 -65.7 -35.8 37.7 -36.1 45.6 46 46 A R H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.903 110.2 47.0 -66.9 -43.0 35.6 -33.5 47.6 47 47 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 109.6 54.6 -64.0 -43.2 32.5 -34.1 45.5 48 48 A I H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.3 0.908 107.4 50.1 -58.5 -43.5 33.0 -37.8 45.8 49 49 A A H ><5S+ 0 0 35 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.901 108.6 52.2 -59.6 -43.3 33.0 -37.5 49.6 50 50 A H H 3<5S+ 0 0 76 -4,-2.0 247,-0.3 1,-0.3 -1,-0.2 0.865 106.4 55.1 -60.9 -33.3 29.9 -35.4 49.6 51 51 A L T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.467 125.5-101.7 -83.7 -0.7 28.2 -38.1 47.5 52 52 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.475 86.6 108.9 99.2 4.3 29.1 -40.8 50.1 53 53 A G < - 0 0 17 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.280 64.1-118.2 -98.7-171.7 32.1 -42.4 48.5 54 54 A S + 0 0 71 -2,-0.1 -50,-0.7 -3,-0.1 2,-0.4 -0.975 30.5 168.9-136.9 122.7 35.8 -42.2 49.3 55 55 A A E -a 4 0A 1 -2,-0.4 2,-0.6 -10,-0.3 -50,-0.2 -0.998 25.9-139.0-134.9 130.6 38.5 -40.9 47.1 56 56 A T E -a 5 0A 19 -52,-2.0 -50,-2.4 -2,-0.4 2,-0.7 -0.792 17.6-140.7 -90.6 122.4 42.1 -40.2 48.1 57 57 A A E -ac 6 80A 0 22,-2.6 24,-2.5 -2,-0.6 2,-0.5 -0.743 13.0-162.5 -87.3 115.1 43.5 -36.9 46.7 58 58 A I E +ac 7 81A 2 -52,-2.8 -50,-2.2 -2,-0.7 24,-0.2 -0.861 31.4 134.5 -96.9 123.4 47.2 -37.2 45.5 59 59 A F E - c 0 82A 0 22,-1.7 24,-1.7 -2,-0.5 2,-0.2 -0.995 52.8-102.2-165.4 156.1 48.9 -33.9 45.1 60 60 A P E - c 0 83A 5 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.588 32.0-167.3 -78.9 146.9 52.0 -31.7 45.7 61 61 A A E - c 0 84A 4 22,-2.6 24,-2.6 -2,-0.2 2,-0.4 -0.984 6.6-178.7-139.4 128.3 51.9 -29.1 48.5 62 62 A G E > - c 0 85A 0 -2,-0.4 4,-2.1 22,-0.2 27,-2.1 -0.961 41.7 -16.5-131.0 144.8 54.4 -26.3 49.0 63 63 A G H > S- 0 0 13 22,-0.6 4,-2.0 -2,-0.4 3,-0.3 0.069 103.2 -45.6 63.2-174.5 54.9 -23.5 51.5 64 64 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 139.3 57.3 -61.1 -31.4 52.4 -22.1 54.0 65 65 A T H > S+ 0 0 17 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.903 105.4 50.3 -66.3 -41.0 49.8 -22.1 51.2 66 66 A G H X S+ 0 0 1 -4,-2.1 4,-2.5 -3,-0.3 -2,-0.2 0.921 111.1 49.0 -60.5 -44.6 50.3 -25.8 50.7 67 67 A E H X S+ 0 0 133 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.876 110.0 51.8 -60.9 -40.6 49.9 -26.3 54.4 68 68 A H H X S+ 0 0 65 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.901 109.9 49.5 -62.2 -43.5 46.7 -24.2 54.4 69 69 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.930 112.1 47.3 -61.9 -47.6 45.4 -26.4 51.5 70 70 A V H X S+ 0 0 45 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 110.4 52.9 -60.4 -45.4 46.2 -29.6 53.3 71 71 A S H X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.879 107.4 51.8 -57.2 -42.0 44.6 -28.3 56.6 72 72 A L H X S+ 0 0 26 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.849 108.2 50.4 -66.3 -35.2 41.4 -27.4 54.8 73 73 A L H <>S+ 0 0 1 -4,-1.6 5,-2.3 1,-0.2 3,-0.2 0.867 108.8 53.1 -72.1 -32.6 41.1 -30.9 53.3 74 74 A A H ><5S+ 0 0 58 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.900 104.4 55.6 -63.6 -40.3 41.6 -32.3 56.8 75 75 A D H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 109.3 47.1 -63.8 -26.9 38.8 -30.1 58.0 76 76 A E T 3<5S- 0 0 60 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.388 112.5-121.6 -93.6 0.3 36.5 -31.7 55.4 77 77 A N T < 5 + 0 0 146 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.841 57.9 154.0 60.8 37.3 37.7 -35.2 56.3 78 78 A V < - 0 0 8 -5,-2.3 -1,-0.2 -24,-0.1 2,-0.1 -0.852 45.1-122.2 -98.1 126.5 39.0 -35.9 52.8 79 79 A P - 0 0 50 0, 0.0 -22,-2.6 0, 0.0 2,-0.3 -0.457 37.6-179.9 -71.0 138.0 41.8 -38.5 52.5 80 80 A V E -c 57 0A 51 -24,-0.3 2,-0.3 -2,-0.1 -22,-0.2 -0.910 29.2-158.8-135.6 161.4 45.0 -37.2 50.9 81 81 A A E -c 58 0A 22 -24,-2.5 -22,-1.7 -2,-0.3 2,-0.2 -0.902 30.5-171.1-139.3 108.2 48.4 -38.3 49.9 82 82 A T E -c 59 0A 63 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.1 -0.663 21.4-149.2-108.4 156.6 50.7 -35.4 49.5 83 83 A V E -c 60 0A 5 -24,-1.7 -22,-2.6 -2,-0.2 2,-0.4 -0.994 29.2-119.9-119.8 128.3 54.2 -34.7 48.3 84 84 A E E -c 61 0A 133 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.543 35.4-166.0 -68.6 120.2 56.2 -31.8 49.8 85 85 A A E -c 62 0A 5 -24,-2.6 -22,-0.6 -2,-0.4 4,-0.1 -0.838 24.2-142.7-113.8 145.4 57.1 -29.3 47.1 86 86 A K S S+ 0 0 165 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.879 84.2 72.3 -68.2 -44.7 59.6 -26.4 47.1 87 87 A D S S- 0 0 87 25,-0.4 -2,-0.1 1,-0.1 24,-0.1 -0.597 96.3-105.4 -77.2 133.8 57.6 -23.9 45.1 88 88 A W - 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0 0 22 -5,-2.5 -1,-0.1 1,-0.1 2,-0.1 -0.179 37.6 -86.7 -77.0 173.3 62.2 23.9 46.8 1197 271 D S > - 0 0 41 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.390 36.0-110.7 -75.3 158.3 59.6 26.4 45.5 1198 272 D L H > S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 120.6 51.6 -51.3 -42.2 55.9 25.6 45.4 1199 273 D E H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.881 109.2 47.6 -70.7 -38.7 56.2 25.6 41.6 1200 274 D E H > S+ 0 0 71 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.947 113.5 50.7 -60.4 -46.7 59.2 23.2 41.5 1201 275 D M H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.942 113.7 42.3 -57.7 -52.4 57.3 21.0 43.9 1202 276 D V H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.887 115.9 48.3 -66.8 -42.3 54.1 20.9 41.9 1203 277 D R H X S+ 0 0 60 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.917 113.2 47.6 -63.6 -42.7 55.9 20.4 38.6 1204 278 D F H X S+ 0 0 22 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.888 111.4 52.7 -66.0 -37.3 58.1 17.6 39.9 1205 279 D G H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.888 111.8 44.0 -63.3 -41.0 55.0 16.0 41.4 1206 280 D V H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.877 111.9 53.7 -74.0 -37.8 53.1 16.1 38.1 1207 281 D A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.938 112.8 43.7 -58.1 -47.7 56.2 14.9 36.2 1208 282 D A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 113.1 50.1 -67.6 -43.5 56.5 11.9 38.5 1209 283 D G H X S+ 0 0 3 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.887 114.7 45.6 -61.1 -39.3 52.8 11.0 38.6 1210 284 D S H >X S+ 0 0 11 -4,-2.3 3,-0.8 2,-0.2 4,-0.5 0.924 109.5 54.0 -69.6 -45.2 52.8 11.2 34.8 1211 285 D A H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 4,-0.5 0.874 103.6 58.9 -54.5 -38.3 56.0 9.1 34.5 1212 286 D A H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 -1,-0.3 0.829 96.2 60.4 -62.2 -34.3 54.3 6.5 36.7 1213 287 D T H << S+ 0 0 28 -4,-0.9 -37,-2.1 -3,-0.8 -38,-0.9 0.638 94.0 65.6 -72.2 -13.2 51.5 6.1 34.2 1214 288 D L T << S+ 0 0 35 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.735 103.5 51.8 -77.8 -23.7 54.0 5.0 31.5 1215 289 D N S < S- 0 0 42 -3,-1.1 -36,-0.1 -4,-0.5 2,-0.1 -0.323 105.4 -70.9 -99.4-176.1 54.8 1.8 33.5 1216 290 D Q > - 0 0 45 -2,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.406 56.3 -99.8 -71.7 158.3 52.7 -0.9 35.1 1217 291 D G T 3 S+ 0 0 1 1,-0.3 -38,-0.3 -42,-0.2 -2,-0.1 0.854 120.9 47.5 -49.4 -46.5 50.6 0.0 38.1 1218 292 D T T 3 S+ 0 0 6 -40,-0.1 2,-0.6 -198,-0.0 -1,-0.3 0.572 98.0 81.0 -78.8 -10.3 53.0 -1.3 40.7 1219 293 D R S < S- 0 0 121 -3,-1.6 -40,-0.3 -7,-0.1 -4,-0.2 -0.868 72.2-157.9 -98.4 129.2 55.9 0.3 39.1 1220 294 D L - 0 0 1 -2,-0.6 2,-0.1 1,-0.2 -40,-0.1 0.144 41.2 -42.8 -86.3-165.6 56.1 3.8 40.1 1221 295 D C - 0 0 0 -42,-0.3 2,-0.3 -41,-0.1 -1,-0.2 -0.427 54.7-137.0 -65.5 145.5 57.9 6.6 38.3 1222 296 D S > - 0 0 36 -2,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.764 17.9-119.6-103.6 155.0 61.4 6.0 36.9 1223 297 D H H > S+ 0 0 81 -247,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.917 108.8 46.8 -56.6 -50.2 64.2 8.5 37.2 1224 298 D D H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 114.3 45.3 -65.4 -43.1 64.7 9.1 33.4 1225 299 D D H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.926 114.1 49.6 -66.4 -44.7 61.1 9.6 32.5 1226 300 D T H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.930 111.3 49.4 -58.0 -46.9 60.5 11.9 35.5 1227 301 D Q H X S+ 0 0 112 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.885 111.9 48.1 -61.5 -41.3 63.5 14.0 34.6 1228 302 D K H X S+ 0 0 73 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 114.3 44.4 -69.7 -43.7 62.5 14.3 30.9 1229 303 D I H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.888 113.7 52.4 -68.5 -37.7 58.9 15.3 31.7 1230 304 D Y H X S+ 0 0 42 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.929 108.1 48.8 -65.2 -47.7 60.0 17.7 34.4 1231 305 D A H < S+ 0 0 60 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.905 114.9 47.4 -57.8 -41.5 62.5 19.5 32.1 1232 306 D Y H >< S+ 0 0 38 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.944 111.9 47.8 -63.9 -48.8 59.6 19.8 29.6 1233 307 D L H 3< S+ 0 0 28 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.762 110.3 56.2 -62.9 -22.9 57.1 21.0 32.1 1234 308 D S T 3< 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.292 360.0 360.0 -96.6 10.6 59.7 23.5 33.3 1235 309 D R < 0 0 229 -3,-1.7 -3,-0.1 -5,-0.1 -4,-0.0 -0.468 360.0 360.0 -69.9 360.0 60.3 25.1 29.9