==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/PROTEIN BINDING 29-APR-09 3H8A . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.NURMOHAMED,B.F.LUISI . 1774 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1315 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 9.2 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 125 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 562 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 52 2.9 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 4 2 4 0 11 2 3 4 4 4 8 0 0 4 4 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 7 5 12 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 PARALLEL BRIDGES PER LADDER . 12 5 2 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 1 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 S 0 0 43 0, 0.0 82,-2.6 0, 0.0 83,-0.3 0.000 360.0 360.0 360.0 95.0 9.7 62.5 29.8 2 2 A K B -A 82 0A 90 80,-0.2 25,-2.9 81,-0.1 2,-0.3 -0.412 360.0-129.6 -77.1 129.3 11.3 62.5 26.4 3 3 A I E +B 26 0B 1 78,-2.6 77,-3.0 75,-0.3 23,-0.3 -0.581 30.9 170.0 -68.6 127.9 12.4 59.4 24.5 4 4 A V E + 0 0 66 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.575 62.3 12.1-116.6 -17.0 16.0 59.7 23.4 5 5 A K E -B 25 0B 83 20,-1.5 20,-2.9 73,-0.1 2,-0.4 -0.961 52.6-166.0-161.7 139.8 16.8 56.2 22.2 6 6 A I E -B 24 0B 9 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.995 12.0-169.6-130.9 128.4 15.0 52.9 21.4 7 7 A I E -B 23 0B 30 16,-2.7 16,-2.7 -2,-0.4 2,-0.3 -0.970 1.3-167.8-121.9 135.4 16.9 49.7 21.0 8 8 A G E +B 22 0B 4 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.885 10.8 175.3-116.7 147.0 15.5 46.4 19.6 9 9 A R E -B 21 0B 9 12,-2.6 12,-2.8 -2,-0.3 2,-0.7 -0.999 34.4-114.8-152.1 157.2 17.2 43.0 19.8 10 10 A E E +B 20 0B 10 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.780 44.1 166.5 -90.0 112.4 16.6 39.3 19.0 11 11 A I E -B 19 0B 0 8,-2.5 8,-2.4 -2,-0.7 2,-0.4 -0.656 35.8 -99.0-116.6-177.8 16.6 37.3 22.3 12 12 A I E -B 18 0B 2 821,-0.3 825,-0.1 6,-0.2 2,-0.1 -0.869 28.7-144.2-113.3 135.7 15.5 33.7 23.0 13 13 A D > - 0 0 0 4,-2.9 3,-2.1 -2,-0.4 361,-0.2 -0.280 39.2 -87.3 -90.1 177.9 12.1 32.6 24.6 14 14 A S T 3 S+ 0 0 0 359,-3.2 815,-2.5 1,-0.3 360,-0.1 0.591 127.8 50.2 -65.9 -12.0 11.4 29.7 27.0 15 15 A R T 3 S- 0 0 76 358,-0.2 -1,-0.3 2,-0.2 813,-0.1 0.330 122.3-102.9-105.2 5.9 11.0 27.2 24.1 16 16 A G S < S+ 0 0 0 -3,-2.1 -2,-0.1 1,-0.3 605,-0.1 0.548 81.9 126.0 83.5 12.2 14.2 28.2 22.5 17 17 A N - 0 0 20 1,-0.1 -4,-2.9 45,-0.0 -1,-0.3 -0.748 64.7 -99.9-101.1 147.2 12.6 30.3 19.7 18 18 A P E +B 12 0B 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.209 42.9 172.7 -62.5 152.3 13.6 34.0 19.0 19 19 A T E -B 11 0B 0 -8,-2.4 -8,-2.5 19,-0.1 2,-0.5 -0.951 33.5 -92.6-146.9 175.1 11.5 36.8 20.2 20 20 A V E -B 10 0B 0 -2,-0.3 16,-2.4 -10,-0.2 2,-0.4 -0.750 30.4-173.2 -95.4 132.1 11.8 40.6 20.3 21 21 A E E -BC 9 35B 6 -12,-2.8 -12,-2.6 -2,-0.5 2,-0.3 -0.959 7.3-166.9-112.9 140.2 13.2 42.6 23.2 22 22 A A E -BC 8 34B 0 12,-2.6 12,-2.0 -2,-0.4 2,-0.4 -0.952 9.8-161.7-125.8 143.1 13.0 46.4 23.3 23 23 A E E -BC 7 33B 0 -16,-2.7 -16,-2.7 -2,-0.3 2,-0.5 -0.995 8.9-162.1-116.7 129.8 14.8 49.0 25.6 24 24 A V E -BC 6 32B 0 8,-3.0 8,-2.3 -2,-0.4 2,-0.4 -0.974 6.7-163.9-116.4 125.2 13.4 52.5 25.7 25 25 A H E -BC 5 31B 7 -20,-2.9 -21,-3.1 -2,-0.5 -20,-1.5 -0.904 3.3-161.8-112.1 137.0 15.7 55.3 27.1 26 26 A L E > -B 3 0B 2 4,-2.9 3,-2.2 -2,-0.4 4,-0.5 -0.783 36.2 -82.1-116.1 152.5 14.5 58.6 28.2 27 27 A E T 3 S+ 0 0 117 -25,-2.9 3,-0.2 -2,-0.3 -1,-0.1 -0.323 119.7 37.8 -45.8 126.0 16.2 62.0 28.8 28 28 A G T 3 S- 0 0 33 1,-0.1 1699,-1.7 1698,-0.1 -1,-0.3 0.317 128.9 -81.1 101.6 -5.3 17.8 61.8 32.3 29 29 A G S < S+ 0 0 20 -3,-2.2 1702,-1.3 1,-0.3 2,-0.2 0.570 78.3 150.8 90.6 11.2 18.9 58.1 31.9 30 30 A F - 0 0 28 -4,-0.5 -4,-2.9 -3,-0.2 2,-0.3 -0.577 23.8-172.9 -68.4 137.8 15.5 56.4 32.8 31 31 A V E -C 25 0B 9 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.999 17.2-170.4-141.4 141.2 15.3 53.0 30.9 32 32 A G E -C 24 0B 0 -8,-2.3 -8,-3.0 -2,-0.3 2,-0.4 -0.968 6.8-170.3-128.0 141.1 12.5 50.4 30.5 33 33 A M E +C 23 0B 5 1708,-2.4 2,-0.3 -2,-0.4 -10,-0.2 -1.000 12.9 159.4-134.7 133.7 13.1 46.9 28.9 34 34 A A E -C 22 0B 1 -12,-2.0 -12,-2.6 -2,-0.4 2,-0.3 -0.951 22.0-146.5-147.8 159.3 10.4 44.4 27.9 35 35 A A E -C 21 0B 3 -2,-0.3 -14,-0.2 -14,-0.2 339,-0.1 -0.971 18.6-122.3-128.5 149.1 10.0 41.4 25.7 36 36 A A - 0 0 0 -16,-2.4 -16,-0.1 -2,-0.3 2,-0.1 -0.708 25.0-133.1 -82.4 136.3 7.1 40.0 23.6 37 37 A P - 0 0 3 0, 0.0 336,-0.2 0, 0.0 -17,-0.1 -0.416 42.9 -76.6 -74.6 173.4 6.0 36.5 24.3 38 38 A S + 0 0 7 334,-2.3 2,-0.2 -2,-0.1 334,-0.2 -0.307 60.6 160.9 -69.1 148.4 5.4 34.1 21.3 39 39 A G - 0 0 21 331,-0.1 2,-0.4 -3,-0.1 9,-0.1 -0.675 40.7 -54.0-145.6-159.1 2.3 34.5 19.2 40 40 A A - 0 0 24 7,-0.4 9,-2.5 -2,-0.2 3,-0.1 -0.722 26.4-171.6 -91.1 134.4 0.7 33.7 15.9 41 41 A S S S+ 0 0 53 -2,-0.4 2,-0.3 7,-0.2 10,-0.1 0.560 78.9 38.7 -95.3 -11.2 2.3 34.7 12.6 42 42 A T S S+ 0 0 113 5,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.943 74.1 91.3-131.2 158.6 -0.8 33.7 10.7 43 43 A G - 0 0 44 -2,-0.3 5,-0.0 -3,-0.1 -3,-0.0 -0.570 57.9-119.5 138.0 163.1 -4.5 34.0 11.2 44 44 A S S S+ 0 0 116 -2,-0.2 -1,-0.1 1,-0.1 4,-0.0 0.399 98.5 49.9-113.2 1.0 -7.3 36.4 10.5 45 45 A R S S+ 0 0 68 2,-0.1 2,-0.3 56,-0.0 280,-0.1 0.531 101.7 50.6-120.0 -11.1 -8.6 37.3 13.9 46 46 A E S S- 0 0 34 55,-0.0 299,-0.2 276,-0.0 2,-0.1 -0.801 90.7 -84.3-125.8 165.6 -5.7 38.4 16.0 47 47 A A - 0 0 11 297,-2.7 2,-0.5 -2,-0.3 -7,-0.4 -0.470 50.3-129.5 -66.2 143.1 -2.6 40.7 15.8 48 48 A L - 0 0 23 53,-2.9 59,-2.6 -2,-0.1 -7,-0.2 -0.854 6.4-141.8-105.8 128.1 0.2 39.0 14.0 49 49 A E - 0 0 15 -9,-2.5 2,-0.6 -2,-0.5 57,-0.2 -0.528 29.1-117.3 -72.9 150.6 3.8 38.7 15.1 50 50 A L - 0 0 37 55,-0.2 2,-0.3 -2,-0.2 16,-0.3 -0.835 31.9-176.0 -96.5 123.4 6.4 39.0 12.3 51 51 A R - 0 0 37 -2,-0.6 12,-0.2 -10,-0.1 10,-0.1 -0.880 27.0-133.7-116.7 153.3 8.7 36.1 11.6 52 52 A D - 0 0 17 10,-2.2 9,-0.2 -2,-0.3 3,-0.1 0.729 19.1-149.4 -78.0 -28.6 11.5 36.0 9.1 53 53 A G + 0 0 56 7,-1.9 2,-0.9 9,-0.3 8,-0.2 0.707 44.5 146.4 58.2 25.5 10.8 32.7 7.4 54 54 A D > - 0 0 72 3,-0.2 3,-2.6 6,-0.2 6,-1.2 -0.802 36.8-161.0 -93.2 102.0 14.5 32.2 6.7 55 55 A K T 3 S+ 0 0 167 -2,-0.9 4,-0.4 1,-0.3 -1,-0.1 0.640 85.8 65.4 -59.7 -17.3 15.1 28.5 6.9 56 56 A S T 3 S+ 0 0 85 1,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.482 101.3 55.6 -84.5 -1.8 18.8 28.9 7.4 57 57 A R S X >S- 0 0 46 -3,-2.6 3,-2.0 1,-0.1 5,-0.7 -0.980 127.3 -25.2-132.4 124.5 18.2 30.7 10.8 58 58 A F G > 5S- 0 0 4 -2,-0.4 3,-1.8 1,-0.3 -2,-0.1 0.822 113.9 -66.5 50.5 34.8 16.2 29.2 13.8 59 59 A L G 3 5S- 0 0 28 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.2 0.822 101.0 -49.2 56.3 34.5 14.2 27.0 11.4 60 60 A G G < 5S+ 0 0 8 -3,-2.0 -7,-1.9 -6,-1.2 -1,-0.3 0.452 119.4 108.2 86.3 4.0 12.6 30.1 9.9 61 61 A K T < 5 + 0 0 89 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.169 39.1 133.4-104.2 16.9 11.6 31.6 13.2 62 62 A G < - 0 0 1 -5,-0.7 -10,-2.2 -8,-0.2 -9,-0.3 -0.208 43.3-156.6 -58.7 152.3 14.2 34.5 13.3 63 63 A V > + 0 0 0 -12,-0.2 4,-2.3 -44,-0.1 5,-0.2 -0.045 53.0 122.8-123.0 36.7 12.8 38.0 14.3 64 64 A T H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.833 75.1 52.5 -66.0 -29.1 15.4 40.1 12.6 65 65 A K H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.6 45.9 -74.5 -43.2 12.8 42.0 10.5 66 66 A A H > S+ 0 0 0 -16,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.894 113.8 49.6 -62.4 -41.7 10.7 42.8 13.6 67 67 A V H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.871 108.2 54.1 -65.3 -39.3 13.8 43.9 15.4 68 68 A A H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.891 105.1 54.2 -61.8 -40.0 14.8 46.1 12.4 69 69 A A H <>S+ 0 0 9 -4,-1.9 5,-2.5 36,-0.2 6,-0.5 0.925 109.9 47.4 -59.0 -46.5 11.4 47.8 12.6 70 70 A V H <>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 -2,-0.2 0.941 116.6 42.5 -57.1 -53.4 12.1 48.7 16.2 71 71 A N H <5S+ 0 0 71 -4,-2.6 -2,-0.2 3,-0.1 -1,-0.2 0.759 126.8 27.7 -68.4 -29.1 15.6 50.0 15.5 72 72 A G T X5S+ 0 0 27 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.754 127.9 11.8 -97.9 -99.4 14.6 51.9 12.3 73 73 A P H >5S+ 0 0 57 0, 0.0 4,-1.6 0, 0.0 -3,-0.1 0.821 128.8 47.9 -62.9 -34.2 11.1 53.3 11.6 74 74 A I H >< S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.1 -75,-0.3 0.701 83.1 111.2 -89.4 -23.6 9.1 58.0 18.7 79 79 A I T 3< S+ 0 0 79 -4,-2.4 -75,-0.2 1,-0.3 3,-0.1 -0.306 86.7 20.0 -48.7 129.9 12.4 59.8 19.4 80 80 A G T 3 S+ 0 0 43 -77,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.266 99.1 121.5 92.0 -12.6 11.5 63.2 21.0 81 81 A K S < S- 0 0 99 -3,-2.4 -78,-2.6 -78,-0.1 2,-0.7 -0.426 72.2-102.0 -83.5 161.3 8.0 62.0 22.1 82 82 A D B > -A 2 0A 74 -80,-0.2 3,-1.3 1,-0.2 7,-0.2 -0.707 22.9-159.4 -86.2 114.7 6.7 61.9 25.7 83 83 A A T 3 S+ 0 0 0 -82,-2.6 38,-0.2 -2,-0.7 -1,-0.2 0.774 88.6 68.1 -68.0 -24.1 6.8 58.4 27.0 84 84 A K T 3 S+ 0 0 88 -83,-0.3 2,-2.0 1,-0.2 -1,-0.3 0.811 82.4 77.5 -60.9 -29.7 4.2 59.3 29.7 85 85 A D <> + 0 0 90 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 -0.561 62.5 171.1 -82.8 76.7 1.6 59.7 26.9 86 86 A Q H > S+ 0 0 5 -2,-2.0 4,-2.6 1,-0.2 5,-0.2 0.907 74.2 48.6 -58.9 -46.6 1.1 56.0 26.5 87 87 A A H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.853 111.5 52.1 -60.8 -42.4 -1.9 56.2 24.2 88 88 A G H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 110.8 46.4 -54.7 -48.4 0.0 58.7 22.0 89 89 A I H X S+ 0 0 2 -4,-2.2 4,-1.8 -7,-0.2 -2,-0.2 0.918 114.1 47.0 -64.1 -47.8 3.0 56.4 21.7 90 90 A D H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.932 111.4 52.7 -61.5 -44.4 0.9 53.4 20.9 91 91 A K H X S+ 0 0 125 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.906 105.5 53.7 -59.2 -43.2 -1.1 55.4 18.3 92 92 A I H X S+ 0 0 48 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.930 113.4 43.4 -57.0 -46.1 2.1 56.6 16.6 93 93 A M H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.893 113.9 49.3 -67.6 -42.6 3.2 52.9 16.2 94 94 A I H X S+ 0 0 42 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.898 114.1 45.9 -64.3 -42.2 -0.2 51.6 15.1 95 95 A D H < S+ 0 0 90 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.871 112.6 50.6 -66.0 -40.9 -0.6 54.4 12.5 96 96 A L H < S+ 0 0 70 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.909 110.1 48.6 -67.4 -43.1 3.0 53.9 11.2 97 97 A D H < S- 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 89.8-168.5 -62.2 -44.7 2.4 50.1 10.8 98 98 A G < + 0 0 58 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.355 43.5 108.7 79.6 -6.1 -0.8 51.0 9.0 99 99 A T S S- 0 0 46 -5,-0.2 3,-0.4 1,-0.1 -1,-0.2 -0.561 74.1-124.8 -96.8 166.0 -2.3 47.5 9.0 100 100 A E S S+ 0 0 194 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.595 109.6 38.1 -84.7 -7.7 -5.3 46.4 11.1 101 101 A N S S- 0 0 43 -54,-0.1 -53,-2.9 -4,-0.1 6,-0.3 0.107 109.2-110.9-130.8 23.2 -3.3 43.5 12.6 102 102 A K S > S+ 0 0 10 -3,-0.4 4,-1.7 -55,-0.2 8,-0.2 0.778 70.8 140.9 54.6 30.6 0.2 44.9 13.1 103 103 A S T 4 + 0 0 46 3,-0.2 -1,-0.1 2,-0.2 -5,-0.0 0.536 57.8 62.4 -84.2 -5.0 1.5 42.6 10.3 104 104 A K T 4 S+ 0 0 127 2,-0.1 -1,-0.2 1,-0.0 -35,-0.1 0.944 125.5 12.2 -81.5 -51.2 3.9 45.2 8.7 105 105 A F T 4 S- 0 0 11 -12,-0.1 4,-0.3 -36,-0.1 -55,-0.2 0.755 116.2-110.0 -90.9 -27.2 6.2 45.7 11.8 106 106 A G X - 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K 01128Q 46 -7,-2.0 2,-1.0 -2,-0.6 8,-0.2 -0.855 6.0-153.8-108.9 116.2 -5.9 9.9 103.7 1121 259 C L E > > - K 01127Q 0 6,-1.9 3,-2.9 -2,-0.6 6,-0.7 -0.676 10.6-169.1 -95.3 97.7 -7.2 11.2 100.5 1122 260 C A G >>5S+ 0 0 36 -2,-1.0 4,-1.0 1,-0.3 3,-0.9 0.904 92.7 56.4 -37.5 -50.1 -10.1 13.6 100.7 1123 261 C G G 345S+ 0 0 8 1,-0.3 -1,-0.3 2,-0.2 -42,-0.3 0.514 104.4 51.6 -72.4 -3.4 -10.4 13.2 97.0 1124 262 C E G <45S- 0 0 54 -3,-2.9 3,-0.5 3,-0.1 -1,-0.3 -0.181 135.0 -69.7-125.4 42.8 -10.9 9.5 97.1 1125 263 C G T <45S- 0 0 69 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.2 0.923 80.0 -74.2 71.8 49.2 -13.6 9.1 99.6 1126 264 C N S < - 0 0 45 -2,-0.3 4,-4.3 -12,-0.2 5,-0.4 -0.606 36.1-111.9 -87.5 154.8 -0.9 2.5 104.0 1131 269 C S H > S+ 0 0 8 -14,-0.4 4,-2.1 1,-0.3 5,-0.2 0.967 125.7 43.9 -49.2 -56.9 2.5 3.7 102.8 1132 270 C E H > S+ 0 0 91 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.854 115.8 51.0 -59.7 -28.3 2.9 0.7 100.9 1133 271 C E H >> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.925 105.8 52.1 -76.7 -43.4 -0.7 1.2 99.8 1134 272 C F H 3X S+ 0 0 0 -4,-4.3 4,-3.0 1,-0.2 5,-0.3 0.894 103.1 62.1 -55.6 -39.5 -0.4 4.7 98.7 1135 273 C T H 3X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.853 105.1 43.9 -58.6 -36.7 2.5 3.7 96.6 1136 274 C H H X S+ 0 0 30 -4,-1.6 4,-2.0 2,-0.2 3,-0.6 0.980 110.7 43.7 -58.0 -60.8 -2.3 4.0 94.3 1138 276 C L H 3X S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.882 113.1 54.2 -51.5 -40.9 0.3 6.4 92.9 1139 277 C E H 3X S+ 0 0 56 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.3 0.850 103.7 54.9 -62.8 -36.3 1.5 3.5 90.7 1140 278 C E H XX S+ 0 0 101 -4,-1.8 4,-1.2 -3,-0.6 3,-1.0 0.934 105.5 52.1 -62.4 -48.0 -2.0 3.1 89.3 1141 279 C L H >X S+ 0 0 10 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.871 104.6 56.8 -51.1 -44.3 -2.2 6.7 88.3 1142 280 C T H 3< S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.685 105.3 53.1 -66.1 -18.8 1.1 6.3 86.4 1143 281 C K H << S+ 0 0 139 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.746 116.8 34.8 -86.5 -26.3 -0.5 3.5 84.4 1144 282 C Q H << S+ 0 0 108 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.1 0.716 127.6 30.7 -94.8 -26.1 -3.5 5.6 83.3 1145 283 C Y S < S- 0 0 49 -4,-2.7 2,-2.8 -5,-0.2 -1,-0.3 -0.997 88.3-108.9-135.9 139.1 -1.8 8.9 82.9 1146 284 C P + 0 0 36 0, 0.0 -42,-2.8 0, 0.0 2,-0.7 -0.300 51.4 159.8 -68.1 63.0 1.8 9.6 81.9 1147 285 C I E +t 1104 0O 3 -2,-2.8 -42,-0.2 -6,-0.2 -2,-0.1 -0.815 5.6 166.8 -84.5 113.7 3.0 10.8 85.3 1148 286 C V E + 0 0 9 -44,-2.6 26,-2.8 -2,-0.7 2,-0.3 0.451 59.9 46.5-109.0 -6.8 6.7 10.5 85.1 1149 287 C S E -tu11051174O 2 -45,-1.0 -43,-2.2 24,-0.2 2,-0.4 -0.998 56.7-175.3-142.2 136.1 7.7 12.5 88.1 1150 288 C I E -tu11061175O 1 24,-2.7 26,-1.3 -2,-0.3 3,-0.5 -0.950 11.3-157.0-135.9 111.4 6.3 12.5 91.7 1151 289 C E E S-tu11071176O 2 -45,-3.4 -43,-2.6 -2,-0.4 -42,-0.7 -0.718 74.1 -8.3 -92.9 135.9 7.5 14.9 94.2 1152 290 C D S S+ 0 0 8 24,-2.8 -42,-2.1 -2,-0.4 -1,-0.3 0.912 73.9 171.5 44.4 58.3 7.2 14.2 97.9 1153 291 C G + 0 0 0 -3,-0.5 2,-0.3 23,-0.2 -1,-0.1 0.487 63.4 22.1 -74.6 -4.4 5.2 11.1 97.4 1154 292 C L S S- 0 0 2 -40,-0.0 -43,-0.4 -20,-0.0 -44,-0.2 -0.877 105.0 -66.4-146.5 178.2 5.3 10.0 101.0 1155 293 C D > - 0 0 16 -2,-0.3 3,-1.2 -45,-0.3 7,-0.2 -0.317 41.2-119.1 -74.1 156.6 5.9 11.7 104.2 1156 294 C E T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.676 111.7 45.6 -69.1 -23.5 9.3 13.2 105.0 1157 295 C S T 3 S+ 0 0 73 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.295 91.6 89.9-105.3 8.6 9.9 11.1 108.0 1158 296 C D <> + 0 0 21 -3,-1.2 4,-2.4 1,-0.2 3,-0.2 -0.510 38.4 151.2-107.7 63.8 8.8 7.9 106.4 1159 297 C W H > S+ 0 0 45 -2,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.760 72.5 60.7 -68.0 -25.4 12.1 6.5 104.9 1160 298 C D H > S+ 0 0 140 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 109.8 43.0 -62.5 -48.2 10.9 3.0 105.2 1161 299 C G H > S+ 0 0 2 -3,-0.2 4,-4.5 2,-0.2 -2,-0.2 0.946 114.1 49.9 -59.0 -52.3 8.0 3.9 102.9 1162 300 C F H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 35,-0.4 0.906 109.0 52.7 -55.2 -46.2 10.3 5.9 100.6 1163 301 C A H X S+ 0 0 33 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.925 114.6 43.2 -48.7 -54.8 12.7 2.9 100.4 1164 302 C Y H >X S+ 0 0 74 -4,-2.1 4,-2.8 2,-0.2 3,-0.5 0.947 111.9 53.4 -55.7 -56.1 9.7 0.9 99.4 1165 303 C Q H 3X S+ 0 0 0 -4,-4.5 4,-3.6 1,-0.2 5,-0.4 0.834 112.5 43.9 -47.4 -41.9 8.4 3.6 97.0 1166 304 C T H 3X S+ 0 0 23 -4,-2.9 4,-0.5 2,-0.2 5,-0.3 0.750 111.5 52.2 -75.9 -30.0 11.7 3.8 95.2 1167 305 C K H << S+ 0 0 182 -4,-1.4 4,-0.3 -3,-0.5 -2,-0.2 0.986 120.6 36.5 -73.6 -53.7 12.1 0.1 95.1 1168 306 C V H < S+ 0 0 43 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.935 136.8 15.5 -45.4 -64.6 8.6 -0.0 93.6 1169 307 C L H >X S+ 0 0 6 -4,-3.6 3,-2.4 -5,-0.2 4,-1.8 0.788 96.8 91.8 -95.3 -36.3 8.6 3.2 91.4 1170 308 C G T 3< S+ 0 0 12 -4,-0.5 -1,-0.1 -5,-0.4 -3,-0.1 0.618 81.2 58.3 -42.4 -33.9 12.3 4.3 90.9 1171 309 C D T 34 S+ 0 0 147 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.647 124.1 19.0 -72.3 -14.9 13.0 2.4 87.7 1172 310 C K T <4 S+ 0 0 143 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.512 121.5 55.2-131.9 -19.6 10.3 4.0 85.7 1173 311 C I S < S- 0 0 12 -4,-1.8 2,-0.4 -7,-0.1 -1,-0.2 -0.982 73.9-122.7-135.0 134.0 9.4 7.2 87.7 1174 312 C Q E -u 1149 0O 0 -26,-2.8 -24,-2.7 -2,-0.4 2,-0.6 -0.628 24.9-160.5 -72.2 127.8 11.4 10.2 88.9 1175 313 C L E -u 1150 0O 2 -2,-0.4 23,-2.6 -26,-0.2 24,-1.0 -0.922 8.3-161.7-119.6 107.8 11.0 10.6 92.6 1176 314 C V E -uv11511199O 2 -26,-1.3 -24,-2.8 -2,-0.6 2,-0.5 -0.764 7.0-150.0 -98.8 123.6 11.8 14.1 93.8 1177 315 C G E + v 01200O 0 22,-2.3 24,-2.8 -2,-0.5 6,-0.2 -0.800 35.7 141.4 -86.8 126.9 12.7 15.0 97.4 1178 316 C D S > S+ 0 0 16 -2,-0.5 4,-3.3 22,-0.2 3,-0.3 0.435 83.0 23.4-118.2 -79.0 11.8 18.4 98.5 1179 317 C D T 4 S+ 0 0 46 1,-0.2 -2,-0.1 2,-0.2 -24,-0.0 0.842 125.5 62.5 -53.2 -31.3 10.4 18.6 102.0 1180 318 C L T 4 S+ 0 0 0 1,-0.1 -1,-0.2 -4,-0.1 -3,-0.1 0.928 121.0 13.7 -60.0 -53.6 12.4 15.4 102.2 1181 319 C F T >4 S- 0 0 0 -3,-0.3 3,-1.3 20,-0.1 6,-0.2 0.708 77.5-155.8 -98.6 -25.9 15.9 16.8 101.5 1182 320 C V T 3< - 0 0 2 -4,-3.3 -273,-0.2 1,-0.2 -3,-0.1 0.832 67.8 -70.8 40.9 43.5 15.3 20.6 101.9 1183 321 C T T 3 S+ 0 0 1 18,-0.4 2,-0.6 -5,-0.2 -1,-0.2 0.819 97.6 143.6 52.4 37.8 18.4 21.2 99.6 1184 322 C N <> - 0 0 38 -3,-1.3 4,-2.4 1,-0.2 3,-0.2 -0.934 46.4-155.9-119.8 115.9 20.7 19.9 102.4 1185 323 C T H > S+ 0 0 58 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.887 94.3 58.3 -57.4 -43.7 23.8 17.9 101.6 1186 324 C K H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.910 113.3 39.5 -52.6 -46.1 23.9 16.2 105.0 1187 325 C I H > S+ 0 0 18 -6,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.876 115.3 50.2 -74.9 -38.1 20.3 14.8 104.4 1188 326 C L H X S+ 0 0 0 -4,-2.4 4,-2.4 -7,-0.2 -2,-0.2 0.851 106.6 56.7 -70.1 -33.2 20.8 13.9 100.8 1189 327 C K H X S+ 0 0 130 -4,-2.9 4,-2.1 -5,-0.2 3,-0.5 0.990 108.9 46.1 -57.1 -60.9 24.0 12.1 101.6 1190 328 C E H X S+ 0 0 79 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.911 114.6 48.7 -40.0 -57.3 22.1 9.8 104.0 1191 329 C G H X>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 4,-0.6 0.782 106.8 54.2 -63.3 -33.2 19.3 9.3 101.5 1192 330 C I H <5S+ 0 0 45 -4,-2.4 3,-0.4 -3,-0.5 -1,-0.2 0.915 112.3 44.9 -64.5 -43.7 21.7 8.5 98.6 1193 331 C E H <5S+ 0 0 140 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.955 113.3 48.8 -62.3 -59.1 23.3 5.7 100.8 1194 332 C K H <5S- 0 0 132 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.511 116.5-113.6 -62.9 -4.3 20.0 4.3 102.0 1195 333 C G T <5 + 0 0 37 -4,-0.6 2,-0.5 -3,-0.4 -3,-0.2 0.859 59.3 157.1 81.2 39.5 18.6 4.2 98.5 1196 334 C I < - 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