==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-OCT-00 1E9I . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.KUHNEL,A.J.CARPOUSIS,B.LUISI . 1716 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1261 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 121 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 130 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 173 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 543 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.6 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 0 3 0 9 7 2 2 6 1 9 0 0 4 4 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 8 5 11 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 4 3 5 7 1 0 0 3 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 6 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 1 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 31 0, 0.0 82,-1.6 0, 0.0 83,-0.7 0.000 360.0 360.0 360.0-145.3 7.1 1.4 47.4 2 2 A K B -A 82 0A 19 80,-0.2 25,-2.1 81,-0.1 2,-0.4 -0.761 360.0-122.2 -99.0 139.9 4.4 3.7 46.1 3 3 A I E +B 26 0B 2 78,-2.2 77,-2.8 75,-0.4 23,-0.3 -0.650 31.0 172.2 -78.9 125.5 4.3 5.2 42.6 4 4 A V E + 0 0 81 21,-2.7 2,-0.3 -2,-0.4 22,-0.2 0.482 64.7 7.9-111.6 -7.2 4.2 9.0 42.7 5 5 A K E -B 25 0B 109 20,-1.4 20,-3.5 73,-0.1 2,-0.4 -0.892 51.9-161.4-174.2 141.2 4.7 9.7 39.0 6 6 A I E -B 24 0B 11 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.957 13.0-167.9-134.0 114.9 4.8 8.1 35.6 7 7 A I - 0 0 26 16,-2.2 2,-0.4 -2,-0.4 16,-0.2 -0.829 1.9-171.0-105.0 140.1 6.3 9.8 32.5 8 8 A G + 0 0 6 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.996 10.0 169.4-132.2 131.4 6.0 8.6 29.0 9 9 A R E -C 21 0B 13 12,-1.2 12,-1.2 -2,-0.4 2,-0.6 -0.826 33.9-111.7-134.1 173.4 7.9 9.9 25.9 10 10 A E E +C 20 0B 16 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.932 40.8 167.4-112.2 115.4 8.5 9.1 22.3 11 11 A I E -C 19 0B 0 8,-2.5 8,-2.3 -2,-0.6 2,-0.4 -0.666 33.6-103.0-119.2 176.3 12.1 8.1 21.3 12 12 A I E -C 18 0B 3 821,-0.3 825,-0.1 6,-0.2 816,-0.0 -0.823 28.2-144.6-105.2 140.4 13.8 6.5 18.3 13 13 A D > - 0 0 1 4,-2.2 3,-0.9 -2,-0.4 361,-0.2 -0.056 41.4 -80.8 -86.4-167.3 14.9 2.9 18.0 14 14 A S T 3 S+ 0 0 0 359,-2.5 815,-2.9 1,-0.2 360,-0.1 0.579 128.7 48.5 -74.1 -10.7 17.9 1.4 16.3 15 15 A R T 3 S- 0 0 70 358,-0.2 -1,-0.2 2,-0.2 812,-0.1 0.387 121.3 -99.7-109.4 2.2 16.2 1.6 12.9 16 16 A G S < S+ 0 0 0 -3,-0.9 605,-0.1 1,-0.3 -2,-0.1 0.640 82.5 126.0 90.2 15.6 15.0 5.2 13.0 17 17 A N - 0 0 18 1,-0.1 -4,-2.2 45,-0.0 -1,-0.3 -0.907 63.1-106.0-111.9 135.6 11.4 4.3 14.0 18 18 A P E +C 12 0B 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.041 41.6 171.9 -53.2 155.4 9.7 5.8 17.1 19 19 A T E -C 11 0B 2 -8,-2.3 -8,-2.5 19,-0.1 2,-0.2 -0.975 31.7 -94.1-160.8 164.1 9.0 3.8 20.2 20 20 A V E -C 10 0B 0 -2,-0.3 16,-2.2 -10,-0.2 2,-0.3 -0.593 27.6-177.1 -89.9 147.9 7.8 4.1 23.8 21 21 A E E -CD 9 35B 7 -12,-1.2 -12,-1.2 14,-0.3 14,-0.3 -0.840 11.5-162.0-145.1 101.1 9.9 4.6 26.9 22 22 A A E - D 0 34B 0 12,-1.1 12,-0.7 -2,-0.3 -14,-0.2 0.040 5.4-159.5 -71.0-173.8 8.2 4.8 30.3 23 23 A E E - D 0 33B 21 -16,-0.2 -16,-2.2 10,-0.2 2,-0.4 -0.460 6.1-160.9-173.6 88.6 9.7 6.2 33.5 24 24 A V E -BD 6 32B 0 8,-1.9 8,-1.7 -18,-0.2 2,-0.5 -0.669 5.9-160.4 -83.9 125.2 8.2 5.1 36.8 25 25 A H E -BD 5 31B 44 -20,-3.5 -21,-2.7 -2,-0.4 -20,-1.4 -0.910 7.3-166.0-108.5 129.6 8.9 7.3 39.8 26 26 A L E > -B 3 0B 3 4,-2.4 3,-1.3 -2,-0.5 2,-0.5 -0.662 36.6 -81.8-109.6 165.9 8.5 6.0 43.4 27 27 A E T 3 S+ 0 0 110 -25,-2.1 -25,-0.1 1,-0.2 -1,-0.1 -0.535 114.9 42.8 -68.9 118.0 8.3 7.7 46.7 28 28 A G T 3 S- 0 0 69 -2,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.339 126.5 -78.8 125.9 -0.8 11.9 8.4 47.8 29 29 A G S < S+ 0 0 65 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.0 0.318 84.7 146.9 93.0 -8.4 13.3 9.6 44.6 30 30 A F - 0 0 78 -4,-0.1 -4,-2.4 -5,-0.1 2,-0.3 -0.311 24.4-175.2 -62.6 143.7 13.7 6.1 43.1 31 31 A V E -D 25 0B 66 -6,-0.2 2,-0.4 88,-0.1 -6,-0.2 -0.989 19.7-166.8-144.5 151.0 13.3 5.9 39.4 32 32 A G E -D 24 0B 4 -8,-1.7 -8,-1.9 -2,-0.3 2,-0.4 -0.928 9.8-171.2-141.8 113.5 13.2 3.2 36.7 33 33 A M E +D 23 0B 66 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.884 12.7 161.7-109.6 136.1 13.3 3.9 33.0 34 34 A A E -D 22 0B 2 -12,-0.7 -12,-1.1 -2,-0.4 2,-0.2 -0.995 20.5-150.7-150.8 150.3 12.8 1.4 30.2 35 35 A A E -D 21 0B 3 -2,-0.3 -14,-0.3 -14,-0.3 339,-0.1 -0.707 18.6-121.4-116.4 169.4 12.0 1.4 26.5 36 36 A A - 0 0 0 -16,-2.2 -16,-0.1 -2,-0.2 3,-0.1 -0.916 20.0-129.0-116.8 140.0 10.1 -1.0 24.3 37 37 A P - 0 0 5 0, 0.0 336,-0.2 0, 0.0 -17,-0.1 -0.329 43.6 -76.4 -79.1 166.8 11.4 -2.9 21.2 38 38 A S + 0 0 8 334,-2.5 2,-0.2 -2,-0.1 334,-0.2 -0.323 59.3 173.5 -63.4 143.2 9.7 -2.9 17.8 39 39 A G - 0 0 17 -3,-0.1 2,-0.5 331,-0.1 9,-0.1 -0.683 38.1 -65.1-136.6-169.4 6.7 -5.2 17.6 40 40 A A - 0 0 21 7,-0.4 9,-1.7 -2,-0.2 3,-0.0 -0.746 31.3-171.9 -88.5 125.6 3.8 -6.3 15.3 41 41 A S S S+ 0 0 60 -2,-0.5 2,-0.3 7,-0.3 -1,-0.1 0.614 75.0 36.0 -88.5 -14.9 1.3 -3.6 14.7 42 42 A T S S+ 0 0 121 5,-0.1 2,-0.2 6,-0.0 4,-0.1 -0.910 76.4 84.7-135.0 161.4 -1.0 -6.0 12.9 43 43 A G - 0 0 44 -2,-0.3 5,-0.1 1,-0.1 -3,-0.0 -0.482 59.6-116.8 128.4 161.0 -2.0 -9.6 13.3 44 44 A S S S+ 0 0 118 -2,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.196 100.1 55.6-125.3 40.6 -4.4 -11.9 15.2 45 45 A R S S+ 0 0 74 1,-0.4 2,-0.3 56,-0.1 -2,-0.1 0.528 100.5 43.5-138.5 -32.8 -2.0 -14.0 17.2 46 46 A E S S- 0 0 34 -4,-0.1 -1,-0.4 55,-0.0 2,-0.2 -0.852 92.6 -86.3-122.5 157.5 0.3 -11.7 19.2 47 47 A A - 0 0 11 297,-1.5 -7,-0.4 -2,-0.3 2,-0.2 -0.412 52.5-136.4 -60.7 125.2 -0.2 -8.5 21.3 48 48 A L - 0 0 11 53,-1.4 59,-2.6 -2,-0.2 2,-0.4 -0.499 3.0-129.0 -88.4 156.1 -0.1 -5.6 18.9 49 49 A E - 0 0 14 -9,-1.7 2,-0.6 57,-0.2 57,-0.1 -0.855 23.5-123.6-103.3 137.9 1.7 -2.3 19.3 50 50 A L + 0 0 43 -2,-0.4 16,-0.4 55,-0.2 2,-0.4 -0.710 33.6 172.5 -87.6 121.4 -0.2 1.0 18.7 51 51 A R - 0 0 35 -2,-0.6 2,-0.3 -10,-0.1 12,-0.3 -0.966 35.6-110.7-126.0 142.9 1.3 3.4 16.2 52 52 A D B -E 62 0C 2 10,-2.2 10,-0.7 -2,-0.4 5,-0.1 -0.538 13.3-144.1 -73.7 132.7 -0.3 6.5 14.8 53 53 A G + 0 0 58 -2,-0.3 2,-0.7 8,-0.1 -1,-0.1 0.477 58.2 134.4 -74.2 1.0 -1.5 6.3 11.2 54 54 A D > - 0 0 74 1,-0.2 3,-1.2 2,-0.1 6,-0.8 -0.339 38.4-170.6 -55.0 100.0 -0.4 10.0 11.0 55 55 A K T 3 S+ 0 0 183 -2,-0.7 4,-0.3 1,-0.3 -1,-0.2 0.527 78.2 71.4 -73.9 -5.7 1.5 9.9 7.7 56 56 A S T 3 S+ 0 0 86 1,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.269 96.8 59.8 -92.5 11.7 2.8 13.4 8.4 57 57 A R S X>>S- 0 0 43 -3,-1.2 3,-2.2 -5,-0.1 4,-0.7 -0.942 126.1 -23.8-144.2 117.8 5.0 12.0 11.1 58 58 A F G >45S- 0 0 6 -2,-0.4 3,-1.5 1,-0.3 -2,-0.1 0.870 115.7 -65.8 50.1 42.0 7.8 9.4 10.7 59 59 A L G 345S- 0 0 63 -4,-0.3 -1,-0.3 1,-0.3 -4,-0.2 0.783 101.7 -50.6 52.1 28.8 6.0 8.1 7.6 60 60 A G G <45S+ 0 0 16 -3,-2.2 -1,-0.3 -6,-0.8 -2,-0.2 0.660 116.4 110.1 86.4 18.0 3.1 7.0 9.8 61 61 A K T <<5 + 0 0 68 -3,-1.5 -3,-0.1 -4,-0.7 -8,-0.1 -0.030 42.2 129.9-113.6 30.2 5.1 5.1 12.4 62 62 A G B < -E 52 0C 1 -10,-0.7 -10,-2.2 -5,-0.5 3,-0.1 -0.313 45.4-155.2 -78.0 167.1 4.7 7.5 15.3 63 63 A V > + 0 0 1 -12,-0.3 4,-2.7 -44,-0.1 5,-0.2 -0.036 50.8 124.3-135.7 34.1 3.6 6.4 18.8 64 64 A T H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.868 76.6 55.9 -62.3 -36.6 2.1 9.5 20.4 65 65 A K H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 111.0 42.1 -60.1 -53.1 -1.2 7.6 21.0 66 66 A A H > S+ 0 0 0 -16,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.921 114.8 51.7 -59.4 -44.8 0.6 4.8 22.9 67 67 A V H X S+ 0 0 13 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 107.3 54.0 -58.9 -38.7 2.7 7.5 24.7 68 68 A A H X S+ 0 0 54 -4,-2.7 4,-4.2 1,-0.2 -1,-0.2 0.902 102.6 56.9 -62.3 -41.9 -0.6 9.2 25.5 69 69 A A H <>S+ 0 0 9 -4,-2.1 5,-1.5 36,-0.2 6,-0.5 0.905 107.5 49.3 -55.9 -43.2 -1.9 6.1 27.1 70 70 A V H <>S+ 0 0 0 -4,-1.7 5,-1.6 4,-0.2 -2,-0.2 0.968 118.8 36.1 -60.6 -56.6 1.1 6.0 29.4 71 71 A N H <5S+ 0 0 75 -4,-2.2 5,-0.4 3,-0.2 -2,-0.2 0.920 124.5 44.9 -63.6 -45.6 0.7 9.6 30.5 72 72 A G T X5S- 0 0 36 -4,-4.2 4,-1.7 -5,-0.2 5,-0.2 0.852 129.3 -8.7 -65.5-112.3 -3.1 9.5 30.5 73 73 A P H >5S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.944 128.9 57.8 -54.7 -60.0 -5.0 6.6 32.0 74 74 A I H >> -A 2 0A 71 -80,-0.2 3,-2.0 1,-0.2 -80,-0.2 -0.706 27.4-166.2 -85.2 101.0 2.8 -0.5 45.2 83 83 A A T 3 S+ 0 0 0 -82,-1.6 38,-0.2 -2,-1.0 -1,-0.2 0.770 82.9 74.8 -56.3 -27.2 5.3 -0.9 42.4 84 84 A K T 3 S+ 0 0 104 -83,-0.7 2,-1.0 1,-0.2 -1,-0.3 0.828 84.2 72.6 -56.6 -31.5 7.0 -3.6 44.5 85 85 A D <> + 0 0 82 -3,-2.0 4,-1.6 -84,-0.2 -1,-0.2 -0.757 63.0 177.3 -89.7 100.6 4.1 -5.8 43.5 86 86 A Q H > S+ 0 0 5 -2,-1.0 4,-2.6 2,-0.2 5,-0.3 0.963 75.9 52.4 -68.2 -56.3 4.7 -6.6 39.8 87 87 A A H > S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.850 111.6 50.1 -49.6 -38.5 1.8 -8.9 39.1 88 88 A G H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 109.4 48.1 -69.2 -44.2 -0.5 -6.3 40.5 89 89 A I H < S+ 0 0 2 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.886 113.4 47.9 -64.8 -39.8 0.8 -3.4 38.4 90 90 A D H X S+ 0 0 5 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.726 110.8 54.8 -72.7 -20.7 0.7 -5.4 35.2 91 91 A K H X S+ 0 0 103 -4,-0.9 4,-1.9 -5,-0.3 5,-0.2 0.927 103.9 49.8 -78.1 -47.7 -2.9 -6.5 36.1 92 92 A I H < S+ 0 0 38 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.539 115.2 47.7 -69.8 -5.0 -4.4 -3.0 36.6 93 93 A M H > S+ 0 0 0 -4,-0.4 4,-1.6 -5,-0.2 -1,-0.2 0.781 110.0 47.7-100.9 -40.2 -2.9 -2.1 33.2 94 94 A I H X S+ 0 0 26 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.799 114.4 48.8 -71.7 -28.6 -4.0 -5.1 31.1 95 95 A D H < S+ 0 0 110 -4,-1.9 -1,-0.2 2,-0.2 3,-0.2 0.880 106.6 54.4 -77.3 -39.9 -7.5 -4.8 32.5 96 96 A L H 4 S+ 0 0 65 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.898 104.7 55.9 -59.8 -39.8 -7.8 -1.1 31.8 97 97 A D H < S- 0 0 4 -4,-1.6 2,-1.4 1,-0.2 -1,-0.3 0.873 88.7-165.6 -59.8 -37.9 -6.9 -1.8 28.2 98 98 A G < + 0 0 64 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 -0.219 51.8 96.0 81.5 -48.2 -9.8 -4.2 28.1 99 99 A T S S- 0 0 56 -2,-1.4 -1,-0.2 1,-0.1 3,-0.1 -0.162 74.2-130.9 -71.1 169.2 -8.8 -6.0 24.9 100 100 A E S S+ 0 0 182 1,-0.2 -1,-0.1 -3,-0.1 -53,-0.1 0.859 106.2 45.3 -87.8 -42.3 -6.8 -9.2 24.8 101 101 A N S S- 0 0 48 -54,-0.1 -53,-1.4 -55,-0.1 6,-0.3 0.192 114.0-113.5 -87.4 16.2 -4.1 -8.1 22.3 102 102 A K + 0 0 6 -55,-0.2 5,-0.5 -8,-0.1 6,-0.2 0.943 63.8 151.6 50.7 56.5 -3.6 -4.8 24.2 103 103 A S + 0 0 54 3,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.787 57.9 62.6 -86.0 -31.0 -5.0 -2.8 21.2 104 104 A K S S+ 0 0 124 -7,-0.2 -35,-0.1 1,-0.1 -1,-0.1 0.992 127.0 6.8 -58.0 -73.3 -6.3 0.1 23.3 105 105 A F S S- 0 0 10 -36,-0.1 -55,-0.2 1,-0.1 -36,-0.2 0.813 112.1-119.7 -81.2 -32.1 -3.1 1.5 24.9 106 106 A G >> - 0 0 0 -4,-0.2 4,-1.9 -57,-0.1 3,-1.9 0.179 12.2-101.8 100.4 138.9 -0.8 -0.8 22.9 107 107 A A H 3> S+ 0 0 2 -59,-2.6 4,-2.1 -5,-0.5 5,-0.3 0.798 120.7 64.6 -62.0 -28.6 1.6 -3.5 24.0 108 108 A N H 34 S+ 0 0 5 -60,-0.2 -1,-0.3 1,-0.2 -88,-0.2 0.539 108.3 41.6 -72.6 -5.6 4.4 -1.0 23.4 109 109 A A H <> S+ 0 0 0 -3,-1.9 4,-2.0 2,-0.1 5,-0.2 0.776 113.9 46.8-106.0 -45.3 2.9 1.1 26.2 110 110 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.877 115.4 48.1 -66.3 -38.0 2.1 -1.5 28.8 111 111 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.916 107.5 55.1 -68.8 -44.4 5.5 -3.1 28.4 112 112 A A H > S+ 0 0 0 -5,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.934 117.2 36.1 -53.5 -50.2 7.3 0.2 28.6 113 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.901 112.8 59.9 -70.7 -42.0 5.7 0.9 32.0 114 114 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 232,-0.2 -2,-0.2 0.928 113.4 36.4 -51.2 -52.0 5.7 -2.7 33.1 115 115 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.927 114.4 54.8 -69.4 -46.6 9.5 -2.9 32.8 116 116 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.873 107.7 53.4 -54.0 -38.4 10.1 0.7 34.1 117 117 A N H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.945 107.6 48.9 -61.6 -50.9 8.0 -0.3 37.1 118 118 A A H X S+ 0 0 2 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.938 113.1 47.0 -55.0 -51.2 10.2 -3.4 37.8 119 119 A K H X S+ 0 0 45 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.903 111.9 51.2 -58.8 -42.9 13.4 -1.3 37.5 120 120 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.928 112.4 46.0 -60.1 -46.2 11.9 1.4 39.8 121 121 A A H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.913 109.2 54.7 -62.9 -44.7 10.9 -1.2 42.4 122 122 A A H <>S+ 0 0 2 -4,-3.0 5,-2.1 1,-0.2 -1,-0.2 0.836 106.8 52.9 -58.3 -34.3 14.4 -2.9 42.2 123 123 A A H ><5S+ 0 0 34 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.922 105.3 52.6 -68.2 -45.2 15.9 0.5 42.9 124 124 A A H 3<5S+ 0 0 31 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.4 51.6 -60.6 -31.7 13.8 1.1 46.0 125 125 A K T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.313 114.4-119.1 -88.4 8.6 14.9 -2.3 47.3 126 126 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.924 74.4 108.8 54.9 51.0 18.6 -1.4 46.8 127 127 A M S - 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0 0 2 -5,-2.4 -1,-0.2 -8,-0.2 -33,-0.1 -0.921 51.3 -36.5-110.0 119.4 42.6 29.2 10.3 766 335 B A - 0 0 3 -2,-0.6 -21,-0.1 -35,-0.4 3,-0.1 0.103 53.1-124.7 60.1-179.8 39.0 27.9 10.0 767 336 B N S S+ 0 0 11 -23,-1.7 28,-1.9 1,-0.2 2,-0.3 0.179 83.0 50.7-145.8 12.7 36.2 29.1 12.2 768 337 B S E -de 745 795J 0 -24,-1.7 -22,-3.1 26,-0.3 2,-0.4 -0.991 60.4-155.4-153.8 147.9 34.9 25.9 13.8 769 338 B I E -de 746 796J 0 26,-2.8 28,-3.0 -2,-0.3 2,-0.6 -0.990 17.3-130.9-133.0 137.0 36.4 22.9 15.6 770 339 B L E - e 0 797J 1 -24,-1.8 2,-0.6 -2,-0.4 -18,-0.3 -0.742 27.2-144.0 -84.8 120.3 35.2 19.3 16.1 771 340 B I E + e 0 798J 1 26,-2.9 28,-3.2 -2,-0.6 2,-0.5 -0.781 26.2 168.6 -94.7 118.9 35.3 18.4 19.8 772 341 B K >> - 0 0 23 -2,-0.6 3,-2.0 26,-0.2 4,-0.6 -0.903 15.4-167.4-126.8 98.7 36.3 14.8 20.7 773 342 B F H >> S+ 0 0 5 -2,-0.5 4,-2.9 26,-0.3 3,-0.7 0.774 88.9 59.3 -58.3 -27.5 37.0 14.5 24.4 774 343 B N H 34 S+ 0 0 8 1,-0.2 -1,-0.3 2,-0.2 -232,-0.1 0.615 100.2 60.2 -77.1 -8.9 38.6 11.0 23.9 775 344 B Q H <4 S+ 0 0 5 -3,-2.0 -297,-2.4 -305,-0.1 -1,-0.2 0.665 114.3 32.5 -89.3 -19.4 41.1 12.8 21.7 776 345 B I H << S- 0 0 20 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.774 105.6-123.8-104.4 -40.5 42.3 15.1 24.5 777 346 B G S < S+ 0 0 0 -4,-2.9 2,-0.3 1,-0.1 -232,-0.2 0.028 71.6 40.0 124.3 -31.5 41.9 12.8 27.5 778 347 B S S > S- 0 0 0 -5,-0.1 4,-0.9 1,-0.1 -1,-0.1 -0.947 70.5-117.1-147.9 167.3 39.6 14.5 30.0 779 348 B L H > S+ 0 0 4 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.873 113.0 54.7 -71.6 -40.1 36.5 16.6 30.6 780 349 B T H > S+ 0 0 41 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 111.3 44.5 -60.2 -45.0 38.5 19.5 32.1 781 350 B E H > S+ 0 0 48 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.741 112.2 54.5 -71.5 -23.6 40.7 19.7 29.1 782 351 B T H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.908 106.5 48.7 -75.9 -44.0 37.7 19.3 26.8 783 352 B L H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.865 108.8 56.2 -62.1 -36.0 35.8 22.3 28.3 784 353 B A H X S+ 0 0 46 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.881 107.3 48.2 -63.2 -39.6 39.0 24.3 28.0 785 354 B A H X S+ 0 0 2 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.900 112.5 47.9 -68.1 -42.4 39.1 23.5 24.2 786 355 B I H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.890 110.3 53.1 -65.3 -40.4 35.4 24.5 23.8 787 356 B K H X S+ 0 0 113 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.928 107.1 49.9 -61.3 -48.1 35.9 27.7 25.8 788 357 B M H < S+ 0 0 37 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.797 108.1 57.2 -61.7 -28.2 38.8 28.9 23.6 789 358 B A H ><>S+ 0 0 0 -4,-1.2 3,-1.2 2,-0.2 5,-1.1 0.955 111.6 38.0 -68.0 -51.6 36.6 28.2 20.6 790 359 B K H ><5S+ 0 0 48 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.835 109.0 63.3 -69.2 -33.1 33.8 30.5 21.6 791 360 B D T 3<5S+ 0 0 92 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.473 110.1 41.5 -70.2 -0.6 36.3 33.0 23.0 792 361 B A T < 5S- 0 0 37 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.279 119.8-104.6-126.5 4.4 37.5 33.4 19.4 793 362 B G T < 5S+ 0 0 8 -3,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.137 79.6 133.7 91.1 -20.9 34.2 33.3 17.6 794 363 B Y < - 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