==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-FEB-06 2FYM . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.CHANDRAN,B.F.LUISI . 1746 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1283 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 9.3 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 . 13 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 . 117 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 560 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 49 2.8 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 3 2 4 0 11 4 1 4 4 3 9 0 0 4 4 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 8 4 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 . 11 4 3 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 . 0 8 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 29 0, 0.0 82,-2.6 0, 0.0 83,-0.2 0.000 360.0 360.0 360.0 99.8 14.3 18.6 52.7 2 2 A K B -A 82 0A 26 80,-0.2 25,-2.4 81,-0.1 2,-0.3 -0.355 360.0-125.6 -70.5 134.4 13.0 16.3 55.5 3 3 A I E +B 26 0B 2 78,-2.3 77,-2.8 75,-0.4 23,-0.3 -0.611 30.5 172.9 -72.8 132.2 12.9 12.5 55.0 4 4 A V E + 0 0 78 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.698 61.6 9.3-112.0 -31.7 9.4 11.1 55.6 5 5 A K E -B 25 0B 38 20,-1.5 20,-3.1 73,-0.1 2,-0.4 -0.992 51.7-165.4-152.3 142.5 9.7 7.4 54.7 6 6 A I E -B 24 0B 12 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -1.000 12.4-168.7-128.3 131.4 12.4 4.9 53.8 7 7 A I E -B 23 0B 51 16,-2.1 16,-2.7 -2,-0.4 2,-0.4 -0.977 2.8-167.9-123.1 130.5 11.6 1.6 52.2 8 8 A G E +B 22 0B 5 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.911 11.8 174.6-110.4 146.9 13.9 -1.3 51.7 9 9 A R E -B 21 0B 16 12,-2.4 12,-2.6 -2,-0.4 2,-0.7 -0.995 33.6-118.5-149.6 154.6 13.2 -4.4 49.6 10 10 A E E +B 20 0B 11 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.841 42.4 167.1 -91.7 111.9 14.8 -7.5 48.3 11 11 A I E -B 19 0B 0 8,-2.4 8,-2.4 -2,-0.7 2,-0.4 -0.504 35.4 -96.9-112.4-173.2 15.0 -7.5 44.5 12 12 A I E -B 18 0B 2 6,-0.2 840,-0.1 836,-0.2 2,-0.1 -0.894 29.6-142.9-115.6 137.2 16.9 -9.6 42.0 13 13 A D > - 0 0 0 4,-3.1 3,-2.0 -2,-0.4 361,-0.2 -0.254 37.5 -89.2 -91.2 179.9 20.3 -8.9 40.4 14 14 A S T 3 S+ 0 0 0 359,-2.8 830,-2.5 1,-0.3 360,-0.1 0.596 127.0 50.7 -71.1 -9.8 21.6 -9.6 36.9 15 15 A R T 3 S- 0 0 74 358,-0.2 -1,-0.3 828,-0.2 827,-0.1 0.329 123.4-101.7-104.7 3.4 22.9 -13.0 38.0 16 16 A G S < S+ 0 0 0 -3,-2.0 -2,-0.1 1,-0.3 622,-0.1 0.577 82.5 128.1 89.6 10.8 19.6 -14.0 39.6 17 17 A N - 0 0 29 1,-0.1 -4,-3.1 45,-0.0 -1,-0.3 -0.765 63.8 -99.6-101.1 145.9 20.8 -13.3 43.1 18 18 A P E +B 12 0B 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.233 44.1 171.5 -58.2 145.4 19.0 -11.1 45.7 19 19 A T E -B 11 0B 0 -8,-2.4 -8,-2.4 19,-0.1 2,-0.4 -0.940 33.1 -94.6-144.5 174.6 20.1 -7.6 46.4 20 20 A V E -B 10 0B 0 -2,-0.3 16,-2.6 -10,-0.2 2,-0.4 -0.778 30.0-175.8 -94.4 130.6 18.9 -4.5 48.3 21 21 A E E -BC 9 35B 7 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.4 -0.966 9.7-166.9-116.4 139.0 16.9 -1.7 46.8 22 22 A A E -BC 8 34B 0 12,-2.9 12,-2.1 -2,-0.4 2,-0.4 -0.968 10.8-159.9-124.7 146.5 16.0 1.4 48.8 23 23 A E E -BC 7 33B 28 -16,-2.7 -16,-2.1 -2,-0.4 2,-0.5 -0.983 5.0-161.2-118.7 135.9 13.5 4.3 48.4 24 24 A V E -BC 6 32B 0 8,-2.7 8,-2.2 -2,-0.4 2,-0.4 -0.978 9.8-164.9-117.3 119.6 13.9 7.6 50.1 25 25 A H E -BC 5 31B 43 -20,-3.1 -21,-3.0 -2,-0.5 -20,-1.5 -0.883 6.0-166.8-106.9 134.0 10.8 9.7 50.3 26 26 A L E > -B 3 0B 4 4,-2.7 3,-1.8 -2,-0.4 4,-0.3 -0.794 34.9 -85.9-116.7 158.1 10.8 13.4 51.2 27 27 A E T 3 S+ 0 0 110 -25,-2.4 3,-0.3 -2,-0.3 -1,-0.1 -0.393 116.7 43.5 -53.8 136.0 8.3 16.1 52.2 28 28 A G T 3 S- 0 0 70 1,-0.2 -1,-0.2 -27,-0.0 -3,-0.0 0.321 127.8 -83.9 101.2 -8.2 7.0 17.5 48.9 29 29 A G S < S+ 0 0 64 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.480 78.8 151.4 90.9 6.0 6.6 14.1 47.3 30 30 A F - 0 0 71 -4,-0.3 -4,-2.7 -3,-0.3 2,-0.4 -0.506 22.0-172.3 -74.6 134.5 10.2 13.8 46.1 31 31 A V E -C 25 0B 18 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.988 13.7-171.0-132.1 136.3 11.5 10.2 45.8 32 32 A G E -C 24 0B 0 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.4 -0.969 8.4-172.4-119.1 143.2 14.9 8.6 45.1 33 33 A M E +C 23 0B 10 405,-2.2 2,-0.3 -2,-0.4 -10,-0.2 -1.000 11.5 157.8-136.4 138.0 15.4 4.9 44.4 34 34 A A E -C 22 0B 1 -12,-2.1 -12,-2.9 -2,-0.4 2,-0.3 -0.983 22.4-144.8-151.6 160.2 18.7 2.9 44.1 35 35 A A E -C 21 0B 3 -2,-0.3 -14,-0.2 -14,-0.2 343,-0.1 -0.935 19.0-121.2-128.1 152.0 20.0 -0.6 44.4 36 36 A A - 0 0 0 -16,-2.6 -16,-0.2 -2,-0.3 2,-0.1 -0.738 25.4-134.5 -86.4 138.2 23.3 -2.1 45.6 37 37 A P - 0 0 5 0, 0.0 336,-0.2 0, 0.0 -17,-0.1 -0.363 42.6 -73.3 -78.8 172.8 25.3 -4.2 43.2 38 38 A S + 0 0 8 334,-2.7 2,-0.2 -2,-0.1 334,-0.1 -0.304 62.9 160.8 -65.8 148.4 26.8 -7.6 44.3 39 39 A G - 0 0 19 -3,-0.1 2,-0.3 331,-0.1 9,-0.1 -0.777 41.2 -62.8-149.4-167.9 29.8 -7.5 46.7 40 40 A A - 0 0 26 7,-0.4 9,-2.7 -2,-0.2 3,-0.1 -0.695 28.1-172.9 -86.9 142.2 31.9 -9.4 49.2 41 41 A S S S+ 0 0 47 -2,-0.3 2,-0.3 7,-0.2 10,-0.2 0.466 74.3 40.6-110.0 -8.0 30.3 -10.7 52.4 42 42 A T S S+ 0 0 109 5,-0.1 2,-0.2 8,-0.1 4,-0.1 -0.923 76.1 82.2-134.2 160.6 33.6 -11.9 53.9 43 43 A G - 0 0 43 -2,-0.3 5,-0.0 1,-0.1 -3,-0.0 -0.424 64.8-107.2 122.3 163.3 37.1 -10.6 54.0 44 44 A S S S+ 0 0 124 -2,-0.2 -1,-0.1 1,-0.1 4,-0.0 0.434 99.9 48.5-105.3 -3.5 39.3 -8.1 55.9 45 45 A R S S+ 0 0 64 2,-0.1 2,-0.2 56,-0.0 -1,-0.1 0.684 97.6 50.4-119.3 -25.8 39.8 -5.2 53.6 46 46 A E S S- 0 0 32 -4,-0.1 299,-0.2 1,-0.1 2,-0.1 -0.725 90.0 -84.0-116.8 164.7 36.6 -4.0 52.0 47 47 A A - 0 0 8 297,-2.4 2,-0.5 273,-0.3 -7,-0.4 -0.447 52.9-131.7 -61.2 140.4 33.1 -3.0 53.2 48 48 A L - 0 0 16 53,-2.7 59,-2.7 -7,-0.1 -7,-0.2 -0.855 6.0-139.9-106.9 131.5 31.1 -6.1 53.5 49 49 A E - 0 0 14 -9,-2.7 2,-0.6 -2,-0.5 57,-0.2 -0.529 27.5-118.9 -73.1 151.3 27.6 -6.8 52.2 50 50 A L - 0 0 41 55,-0.2 2,-0.3 -2,-0.2 16,-0.3 -0.867 31.3-175.0 -95.8 123.5 25.3 -8.7 54.6 51 51 A R - 0 0 31 -2,-0.6 12,-0.2 -10,-0.2 10,-0.1 -0.909 25.4-135.8-114.8 149.0 23.9 -12.0 53.4 52 52 A D - 0 0 19 10,-2.8 9,-0.2 -2,-0.3 3,-0.1 0.857 18.7-150.7 -71.3 -40.6 21.4 -14.2 55.2 53 53 A G + 0 0 54 7,-2.1 2,-0.9 9,-0.3 8,-0.2 0.740 40.6 150.1 69.4 24.2 23.1 -17.6 54.7 54 54 A D > - 0 0 70 3,-0.2 3,-2.2 6,-0.2 6,-1.3 -0.804 35.6-159.4 -89.1 106.4 19.7 -19.4 54.8 55 55 A K T 3 S+ 0 0 168 -2,-0.9 4,-0.4 1,-0.3 -1,-0.1 0.723 86.9 64.7 -60.3 -22.5 20.1 -22.4 52.6 56 56 A S T 3 S+ 0 0 80 1,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.474 101.5 53.9 -82.1 -5.4 16.4 -22.7 52.1 57 57 A R S X >S- 0 0 48 -3,-2.2 3,-2.0 1,-0.1 5,-0.7 -0.981 127.9 -23.5-132.2 125.4 16.2 -19.4 50.2 58 58 A F G > 5S- 0 0 5 -2,-0.4 3,-1.9 1,-0.3 -2,-0.1 0.792 112.7 -69.3 51.8 34.4 18.2 -18.4 47.2 59 59 A L G 3 5S- 0 0 37 -4,-0.4 -1,-0.3 1,-0.3 -4,-0.2 0.827 100.1 -48.5 53.9 35.1 21.0 -21.0 48.1 60 60 A G G < 5S+ 0 0 5 -3,-2.0 -7,-2.1 -6,-1.3 -1,-0.3 0.414 117.8 109.4 90.6 1.2 21.9 -18.8 51.1 61 61 A K T < 5 + 0 0 91 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.221 39.4 133.2 -99.0 13.5 22.1 -15.5 49.2 62 62 A G < - 0 0 1 -5,-0.7 -10,-2.8 -8,-0.3 -9,-0.3 -0.216 42.5-158.4 -56.0 150.3 19.0 -13.8 50.6 63 63 A V > + 0 0 0 -12,-0.2 4,-2.6 -44,-0.1 5,-0.2 -0.014 52.2 123.3-120.0 31.1 19.3 -10.2 51.8 64 64 A T H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.864 74.3 53.6 -60.6 -36.0 16.4 -10.1 54.2 65 65 A K H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 110.4 45.0 -64.7 -44.8 18.6 -9.0 57.1 66 66 A A H > S+ 0 0 0 -16,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.912 113.3 51.0 -63.9 -42.2 20.1 -6.1 55.2 67 67 A V H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.889 108.1 53.4 -61.0 -40.1 16.6 -5.1 54.0 68 68 A A H X S+ 0 0 56 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.877 104.8 54.5 -63.9 -36.2 15.5 -5.3 57.6 69 69 A A H <>S+ 0 0 10 -4,-1.8 5,-2.5 36,-0.2 6,-0.5 0.908 110.1 47.3 -62.5 -42.4 18.3 -2.9 58.6 70 70 A V H <>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 -2,-0.2 0.959 116.8 41.6 -60.4 -52.7 17.0 -0.4 56.0 71 71 A N H <5S+ 0 0 76 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.741 126.8 30.0 -70.8 -25.8 13.3 -0.7 57.1 72 72 A G T X5S+ 0 0 17 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.762 127.6 8.6 -99.2 -99.7 14.1 -0.7 60.8 73 73 A P H >5S+ 0 0 47 0, 0.0 4,-1.7 0, 0.0 -3,-0.1 0.820 129.1 49.3 -64.3 -36.2 17.1 1.0 62.5 74 74 A I H >> -A 2 0A 73 -80,-0.2 3,-1.7 1,-0.2 -80,-0.2 -0.735 24.3-160.5 -88.5 107.7 17.6 16.8 55.8 83 83 A A T 3 S+ 0 0 0 -82,-2.6 38,-0.2 -2,-0.8 -1,-0.2 0.770 87.4 67.1 -57.7 -28.5 18.3 14.7 52.7 84 84 A K T 3 S+ 0 0 90 1,-0.2 2,-1.8 -83,-0.2 -1,-0.3 0.767 83.2 77.3 -64.7 -26.2 20.4 17.5 51.2 85 85 A D <> + 0 0 89 -3,-1.7 4,-2.3 1,-0.2 3,-0.2 -0.564 61.8 170.9 -84.3 74.6 23.0 17.1 53.9 86 86 A Q H > S+ 0 0 3 -2,-1.8 4,-2.8 1,-0.2 5,-0.2 0.889 73.7 50.4 -56.9 -46.4 24.6 14.0 52.2 87 87 A A H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 111.7 49.5 -59.1 -40.7 27.6 13.8 54.6 88 88 A G H > S+ 0 0 18 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 111.9 47.1 -64.6 -42.6 25.3 14.1 57.6 89 89 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 -7,-0.2 -2,-0.2 0.935 114.8 46.5 -63.2 -48.9 23.0 11.3 56.3 90 90 A D H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.893 111.3 52.6 -62.0 -40.7 25.9 9.1 55.5 91 91 A K H X S+ 0 0 126 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.894 105.4 54.5 -64.2 -41.7 27.5 9.8 58.9 92 92 A I H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.938 113.5 41.7 -55.7 -48.4 24.3 8.9 60.8 93 93 A M H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.909 114.6 51.4 -67.3 -41.1 24.3 5.5 59.1 94 94 A I H X S+ 0 0 45 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.928 114.5 42.5 -61.2 -45.8 28.1 5.0 59.5 95 95 A D H < S+ 0 0 93 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.854 113.2 52.6 -69.5 -36.7 27.9 5.8 63.2 96 96 A L H < S+ 0 0 70 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.902 110.4 46.7 -68.6 -43.6 24.8 3.7 63.8 97 97 A D H < S- 0 0 3 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.940 91.4-165.2 -57.2 -49.0 26.4 0.7 62.1 98 98 A G < + 0 0 61 -4,-2.2 2,-0.4 -5,-0.2 -3,-0.1 0.359 46.9 106.5 80.1 -4.8 29.5 1.4 64.2 99 99 A T S > S- 0 0 45 -5,-0.2 3,-1.5 1,-0.1 -1,-0.2 -0.868 70.7-133.0-110.0 143.9 31.9 -0.9 62.2 100 100 A E T 3 S+ 0 0 167 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.879 108.7 43.1 -57.3 -41.4 34.6 0.3 59.9 101 101 A N T 3 S- 0 0 47 -54,-0.1 -53,-2.7 -55,-0.1 6,-0.3 0.146 109.5-118.3 -95.4 16.2 33.5 -2.2 57.2 102 102 A K <> + 0 0 3 -3,-1.5 4,-1.4 -55,-0.2 8,-0.2 0.810 66.0 144.5 54.3 36.0 29.7 -1.6 57.5 103 103 A S T 4 + 0 0 49 3,-0.2 -1,-0.1 2,-0.2 -3,-0.1 0.464 55.3 63.2 -92.7 -2.0 29.4 -5.3 58.5 104 104 A K T 4 S+ 0 0 113 -5,-0.1 -1,-0.2 -54,-0.0 -35,-0.1 0.954 124.6 12.6 -78.7 -60.5 26.6 -4.9 61.1 105 105 A F T 4 S- 0 0 17 1,-0.1 4,-0.2 -36,-0.1 -55,-0.2 0.726 117.0-110.6 -85.4 -27.5 23.9 -3.5 58.7 106 106 A G X - 0 0 0 -4,-1.4 4,-2.3 -57,-0.2 3,-0.4 0.255 10.4-109.3 101.8 133.4 25.7 -4.4 55.6 107 107 A A H > S+ 0 0 2 -59,-2.7 4,-2.6 -6,-0.3 5,-0.3 0.760 120.2 62.6 -62.3 -25.4 27.3 -2.1 53.0 108 108 A N H > S+ 0 0 2 -60,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.888 106.5 42.6 -65.8 -39.9 24.5 -3.2 50.7 109 109 A A H > S+ 0 0 0 -3,-0.4 4,-1.9 -4,-0.2 -2,-0.2 0.958 117.9 44.8 -68.2 -50.5 21.9 -1.7 53.1 110 110 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 114.5 47.6 -65.0 -44.1 23.9 1.5 53.7 111 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.912 108.3 54.1 -64.9 -43.4 24.8 2.1 50.1 112 112 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -90,-0.2 0.938 115.0 41.1 -58.1 -44.7 21.3 1.6 48.7 113 113 A V H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.905 111.9 55.8 -68.2 -41.5 20.0 4.2 51.2 114 114 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 232,-0.2 -2,-0.2 0.928 114.3 39.2 -56.3 -50.1 23.0 6.6 50.6 115 115 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.892 115.2 51.1 -68.1 -43.6 22.3 6.7 46.8 116 116 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -92,-0.3 0.897 110.0 51.9 -62.5 -40.8 18.5 6.8 47.1 117 117 A N H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.934 108.8 50.0 -57.6 -47.4 18.9 9.7 49.5 118 118 A A H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.894 111.3 48.6 -62.1 -40.1 21.1 11.5 47.1 119 119 A K H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 112.0 49.1 -64.6 -43.5 18.6 11.0 44.3 120 120 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 111.5 49.7 -60.7 -44.9 15.7 12.2 46.5 121 121 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -38,-0.2 -2,-0.2 0.898 108.6 52.4 -61.1 -44.7 17.7 15.3 47.5 122 122 A A H <>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.2 3,-0.4 0.953 109.2 50.0 -55.7 -50.2 18.5 16.1 43.9 123 123 A A H ><5S+ 0 0 39 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.886 109.0 51.9 -56.3 -42.8 14.8 15.9 43.0 124 124 A A H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.1 50.2 -62.7 -34.3 14.0 18.2 45.9 125 125 A K T 3<5S- 0 0 61 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.368 116.5-117.7 -83.6 3.1 16.6 20.7 44.6 126 126 A G T < 5S+ 0 0 71 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.839 78.1 107.0 61.7 38.3 15.0 20.5 41.1 127 127 A M S > - 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0 0 20 -43,-0.3 3,-1.5 -2,-0.3 7,-0.2 -0.421 43.8-119.1 -64.4 143.0 66.2 129.0 61.2 1169 294 D E T 3 S+ 0 0 52 1,-0.3 -1,-0.1 -2,-0.1 3,-0.0 0.764 115.6 51.8 -54.6 -29.9 68.8 126.1 61.3 1170 295 D S T 3 S+ 0 0 66 1,-0.2 2,-2.2 2,-0.1 3,-0.3 0.709 86.5 90.3 -79.0 -21.6 70.2 127.3 58.0 1171 296 D D <> + 0 0 15 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 -0.402 42.0 148.5 -81.6 66.2 70.6 130.9 59.2 1172 297 D W H > S+ 0 0 41 -2,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.845 72.4 53.3 -70.7 -35.5 74.2 130.6 60.5 1173 298 D D H > S+ 0 0 146 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.944 113.0 46.8 -59.3 -46.5 75.1 134.3 59.6 1174 299 D G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.906 110.4 51.3 -58.9 -46.6 71.9 135.2 61.6 1175 300 D F H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 35,-0.5 0.843 104.9 56.3 -62.9 -36.2 72.9 132.9 64.5 1176 301 D A H X S+ 0 0 41 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.1 45.1 -57.5 -45.9 76.4 134.4 64.7 1177 302 D Y H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.938 112.6 49.6 -62.9 -50.8 74.6 137.8 65.1 1178 303 D Q H X>S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.5 0.861 111.2 49.6 -59.3 -37.3 72.1 136.5 67.7 1179 304 D T H X5S+ 0 0 21 -4,-2.4 4,-1.4 3,-0.2 5,-0.3 0.881 110.9 50.5 -70.3 -36.5 74.9 134.9 69.7 1180 305 D K H <5S+ 0 0 73 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.942 118.7 37.4 -62.2 -48.1 76.9 138.1 69.6 1181 306 D V H <5S+ 0 0 45 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.932 135.7 14.8 -70.8 -49.1 73.9 140.1 70.9 1182 307 D L H >X5S+ 0 0 7 -4,-2.8 4,-1.7 -5,-0.2 3,-1.4 0.611 98.9 92.6-105.6 -19.2 72.2 137.8 73.4 1183 308 D G T 3<> S+ 0 0 20 -2,-0.6 4,-3.2 22,-0.2 3,-0.8 0.573 86.1 15.9-108.8 -84.9 67.5 122.0 68.6 1192 317 D D T 34 S+ 0 0 50 1,-0.2 -2,-0.1 2,-0.2 -24,-0.0 0.768 124.3 68.7 -58.2 -25.6 66.8 121.9 64.9 1193 318 D L T 34 S+ 0 0 0 -4,-0.2 -1,-0.2 1,-0.2 -3,-0.1 0.917 120.2 10.3 -57.6 -48.0 70.0 123.8 64.7 1194 319 D F T X4 S- 0 0 0 -3,-0.8 3,-1.9 20,-0.1 6,-0.3 0.659 76.8-154.7-109.4 -23.3 72.2 120.9 65.8 1195 320 D V T 3< S- 0 0 1 -4,-3.2 -271,-0.3 1,-0.3 -3,-0.1 0.827 70.7 -68.7 39.4 44.6 69.9 117.8 65.7 1196 321 D T T 3 S+ 0 0 1 18,-0.4 2,-0.6 -5,-0.3 -1,-0.3 0.810 98.1 145.7 51.3 35.4 72.2 116.1 68.3 1197 322 D N <> - 0 0 38 -3,-1.9 4,-2.5 1,-0.1 3,-0.2 -0.908 42.2-158.8-109.6 115.5 74.9 115.9 65.6 1198 323 D T H > S+ 0 0 51 -2,-0.6 4,-2.4 1,-0.2 -1,-0.1 0.764 92.2 58.0 -68.5 -27.1 78.5 116.3 66.8 1199 324 D K H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 111.8 41.0 -67.0 -41.4 79.7 117.2 63.4 1200 325 D I H > S+ 0 0 30 -6,-0.3 4,-2.4 -3,-0.2 -2,-0.2 0.893 114.3 52.7 -72.9 -40.3 77.3 120.2 63.2 1201 326 D L H X S+ 0 0 0 -4,-2.5 4,-2.7 -7,-0.2 5,-0.2 0.919 107.2 52.9 -60.3 -43.9 78.0 121.0 66.9 1202 327 D K H X S+ 0 0 116 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.921 110.8 46.2 -55.4 -47.0 81.7 121.1 66.2 1203 328 D E H X S+ 0 0 80 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.871 112.3 51.9 -66.4 -36.8 81.2 123.5 63.3 1204 329 D G H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 4,-0.5 0.885 108.6 49.3 -64.3 -43.4 78.9 125.6 65.5 1205 330 D I H ><5S+ 0 0 50 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.922 111.2 51.1 -60.8 -45.0 81.4 125.9 68.3 1206 331 D E H 3<5S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.826 115.0 42.3 -60.5 -34.5 84.1 126.9 65.7 1207 332 D K T 3<5S- 0 0 125 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.357 113.7-110.4-100.0 5.4 81.8 129.7 64.3 1208 333 D G T < 5 + 0 0 37 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.893 60.6 161.3 66.0 43.3 80.5 131.0 67.6 1209 334 D I < - 0 0 2 -5,-3.1 -1,-0.2 -8,-0.1 -33,-0.1 -0.872 53.1 -37.9-103.9 115.7 77.0 129.7 66.9 1210 335 D A - 0 0 2 -2,-0.6 -21,-0.2 -35,-0.5 3,-0.1 0.035 54.6-125.3 61.0-176.5 74.6 129.3 70.0 1211 336 D N S S+ 0 0 11 -23,-2.3 28,-1.6 1,-0.3 2,-0.3 0.234 80.7 47.4-148.2 17.8 75.9 128.2 73.4 1212 337 D S E -uv11891239N 0 -24,-1.2 -22,-2.5 26,-0.3 2,-0.4 -0.979 61.5-150.3-158.6 152.2 73.7 125.2 74.3 1213 338 D I E -uv11901240N 1 26,-2.6 28,-2.4 -2,-0.3 2,-0.4 -0.998 15.4-131.4-137.3 134.4 72.4 122.1 72.7 1214 339 D L E - v 01241N 1 -24,-2.7 2,-0.7 -2,-0.4 -18,-0.4 -0.700 24.0-145.0 -79.0 132.1 69.3 120.0 73.0 1215 340 D I E + v 01242N 1 26,-3.1 28,-3.1 -2,-0.4 2,-0.6 -0.889 24.0 171.8-107.1 108.7 70.1 116.3 73.4 1216 341 D K >> - 0 0 23 -2,-0.7 3,-2.0 26,-0.2 4,-0.6 -0.937 17.2-161.2-111.5 103.5 67.6 113.9 71.8 1217 342 D F H >> S+ 0 0 8 -2,-0.6 4,-2.9 26,-0.4 3,-0.6 0.759 87.4 57.3 -66.5 -23.4 69.2 110.5 72.1 1218 343 D N H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -230,-0.1 0.637 97.1 64.5 -78.3 -10.9 67.0 109.0 69.4 1219 344 D Q H <4 S+ 0 0 10 -3,-2.0 -295,-2.6 1,-0.1 -1,-0.2 0.658 115.7 29.0 -82.0 -20.9 68.2 111.6 67.0 1220 345 D I H << S- 0 0 27 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.750 103.4-140.8-103.9 -45.2 71.8 110.2 67.2 1221 346 D G < + 0 0 0 -4,-2.9 2,-0.3 -5,-0.2 -230,-0.2 0.343 61.2 63.9 112.1 -4.2 70.7 106.6 68.0 1222 347 D S > - 0 0 0 -5,-0.3 4,-1.8 1,-0.1 -1,-0.2 -0.990 69.7-127.4-145.9 154.3 73.0 105.1 70.6 1223 348 D L H > S+ 0 0 3 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.922 110.1 54.7 -63.7 -43.6 74.0 105.6 74.2 1224 349 D T H > S+ 0 0 44 1,-0.2 4,-1.8 -261,-0.2 -1,-0.2 0.931 111.4 44.0 -57.3 -46.3 77.7 105.8 73.4 1225 350 D E H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 110.9 55.2 -68.3 -33.6 77.2 108.6 70.8 1226 351 D T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.933 107.1 49.3 -65.4 -45.5 74.9 110.4 73.2 1227 352 D L H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.888 109.6 53.6 -59.3 -39.2 77.5 110.5 75.9 1228 353 D A H X S+ 0 0 53 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.910 108.5 48.4 -62.2 -43.3 80.0 111.8 73.3 1229 354 D A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.905 111.4 49.5 -62.4 -44.7 77.7 114.7 72.4 1230 355 D I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 113.5 47.4 -62.4 -43.2 77.1 115.6 76.0 1231 356 D K H X S+ 0 0 104 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.901 109.3 52.1 -64.7 -45.3 80.9 115.6 76.7 1232 357 D M H X S+ 0 0 56 -4,-2.6 4,-1.7 2,-0.2 6,-0.2 0.913 109.1 51.8 -57.8 -45.1 81.7 117.6 73.6 1233 358 D A H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.953 111.1 45.9 -56.4 -51.7 79.2 120.2 74.7 1234 359 D K H ><5S+ 0 0 83 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.896 109.3 55.8 -59.4 -43.4 80.7 120.5 78.2 1235 360 D D H 3<5S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.5 46.2 -58.6 -35.2 84.2 120.7 76.8 1236 361 D A H 3<5S- 0 0 41 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.486 119.1-111.4 -83.5 -6.4 83.2 123.7 74.6 1237 362 D G T <<5S+ 0 0 33 -3,-1.4 -3,-0.2 -4,-0.5 2,-0.2 0.526 75.5 135.9 81.3 7.2 81.5 125.3 77.6 1238 363 D Y < - 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