==== 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 ISOMERASE 30-DEC-06 2OEJ . COMPND 2 MOLECULE: 2,3-DIKETO-5-METHYLTHIOPENTYL-1-PHOSPHATE ENOLASE . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR A.A.FEDOROV,H.J.IMKER,E.V.FEDOROV,S.C.ALMO,J.A.GERLT . 814 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 51 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 6 0 4 4 4 4 2 2 4 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 7 3 2 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 . 2 0 2 0 0 2 0 0 0 2 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 0 2 0 2 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 2 A S 0 0 121 0, 0.0 79,-1.5 0, 0.0 80,-0.5 0.000 360.0 360.0 360.0 -67.3 -7.1 68.0 118.0 2 3 A A E -A 79 0A 32 77,-0.3 2,-0.5 78,-0.1 113,-0.1 -0.978 360.0-133.9-156.8 141.7 -8.1 68.2 114.4 3 4 A V E -A 78 0A 0 75,-2.1 75,-2.6 -2,-0.3 2,-0.6 -0.785 29.4-143.8 -88.3 126.0 -7.8 66.6 110.9 4 5 A M E -AB 77 110A 33 106,-2.4 106,-2.2 -2,-0.5 2,-0.4 -0.829 14.6-163.8 -97.9 120.8 -7.0 69.2 108.3 5 6 A A E -AB 76 109A 0 71,-3.4 71,-3.1 -2,-0.6 2,-0.5 -0.837 4.7-153.9-104.7 139.0 -8.7 68.5 104.9 6 7 A T E -AB 75 108A 8 102,-3.0 101,-2.9 -2,-0.4 102,-1.6 -0.948 18.0-179.1-113.9 127.4 -7.6 70.3 101.7 7 8 A Y E -AB 74 106A 1 67,-2.8 67,-1.3 -2,-0.5 2,-0.5 -0.834 27.6-135.9-124.5 161.2 -10.1 70.7 98.8 8 9 A L E -AB 73 105A 26 97,-2.4 97,-2.4 -2,-0.3 2,-0.4 -0.978 30.2-163.7-112.7 124.6 -10.2 72.1 95.3 9 10 A L E -AB 72 104A 1 63,-2.8 63,-1.6 -2,-0.5 2,-0.5 -0.946 16.9-172.1-118.3 133.8 -13.5 74.2 94.8 10 11 A H E +A 71 0A 2 93,-2.2 93,-0.4 -2,-0.4 2,-0.3 -0.969 33.0 139.2-119.7 111.2 -15.1 75.3 91.6 11 12 A D E -A 70 0A 26 59,-2.4 59,-2.3 -2,-0.5 4,-0.1 -0.993 52.4-141.5-158.4 149.9 -18.0 77.7 92.2 12 13 A E S S+ 0 0 103 -2,-0.3 3,-0.2 57,-0.2 -1,-0.1 0.959 83.3 72.4 -69.9 -55.1 -19.8 80.9 91.1 13 14 A T S S- 0 0 78 1,-0.2 57,-0.2 2,-0.1 -2,-0.1 -0.005 107.0 -60.2 -60.5 167.1 -20.7 82.2 94.6 14 15 A D > - 0 0 68 1,-0.1 4,-1.9 2,-0.1 3,-0.2 -0.276 44.5-148.8 -54.1 121.4 -18.2 83.7 97.0 15 16 A I H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 93.8 52.7 -58.6 -55.8 -15.5 81.2 98.0 16 17 A R H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.798 109.6 53.6 -54.2 -29.1 -14.9 82.3 101.6 17 18 A K H > S+ 0 0 154 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.963 109.3 44.0 -71.4 -52.1 -18.6 82.1 102.2 18 19 A K H X S+ 0 0 36 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.899 113.7 53.4 -59.2 -40.5 -19.0 78.5 101.0 19 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.927 109.3 47.2 -59.3 -48.4 -15.9 77.5 102.9 20 21 A E H X S+ 0 0 76 -4,-1.9 4,-1.9 -5,-0.2 5,-0.3 0.919 111.5 52.1 -59.9 -44.8 -17.2 79.0 106.1 21 22 A G H X S+ 0 0 40 -4,-2.6 4,-3.9 2,-0.2 5,-0.3 0.894 110.1 48.8 -59.5 -41.6 -20.5 77.2 105.6 22 23 A I H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.976 109.1 50.4 -62.9 -55.3 -18.7 74.0 105.1 23 24 A A H < S+ 0 0 2 -4,-2.7 24,-0.7 1,-0.2 5,-0.3 0.823 123.2 33.5 -52.2 -34.0 -16.6 74.3 108.2 24 25 A L H ><>S+ 0 0 40 -4,-1.9 5,-2.4 -5,-0.2 3,-1.6 0.901 117.7 50.6 -88.7 -50.5 -19.7 75.1 110.2 25 26 A G H 3<5S+ 0 0 46 -4,-3.9 -3,-0.2 -5,-0.3 -2,-0.2 0.861 109.3 50.9 -57.7 -40.3 -22.3 72.9 108.4 26 27 A L T 3<5S+ 0 0 26 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 0.343 122.2 28.4 -83.3 7.2 -20.2 69.8 108.6 27 28 A T T < 5S- 0 0 5 -3,-1.6 531,-0.2 -5,-0.2 -3,-0.1 0.426 133.8 -4.8-126.8 -89.4 -19.6 70.0 112.3 28 29 A I T 5S- 0 0 11 -4,-0.3 2,-1.5 -5,-0.3 -3,-0.2 0.610 76.0-143.6 -90.9 -11.6 -22.0 71.8 114.7 29 30 A G S + 0 0 39 -2,-0.3 3,-1.9 15,-0.0 -1,-0.1 0.434 55.9 74.1-153.3 -51.3 -23.5 78.9 115.9 32 33 A T T 3 S+ 0 0 113 1,-0.3 7,-0.1 7,-0.0 -2,-0.0 0.845 106.6 38.3 -44.2 -48.2 -24.3 82.6 115.5 33 34 A D T 3 S+ 0 0 154 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.264 88.7 110.5 -95.7 12.7 -27.6 82.4 117.3 34 35 A L S < S- 0 0 32 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.616 81.5 -94.0 -84.9 147.0 -26.7 80.0 120.1 35 36 A P >> - 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.320 33.2-118.6 -58.7 139.8 -26.5 81.4 123.7 36 37 A A H 3> S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.891 115.6 56.4 -45.5 -46.3 -22.9 82.4 124.6 37 38 A L H 3> S+ 0 0 116 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.858 108.5 46.3 -56.2 -38.1 -23.0 79.8 127.4 38 39 A E H <> S+ 0 0 48 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.791 106.8 57.9 -76.7 -29.2 -23.9 77.1 124.9 39 40 A Q H >X S+ 0 0 40 -4,-2.0 4,-1.6 1,-0.2 3,-0.7 0.917 101.2 56.4 -65.9 -42.6 -21.2 78.2 122.5 40 41 A E H 3< S+ 0 0 127 -4,-2.1 4,-0.4 1,-0.2 3,-0.2 0.891 108.5 48.6 -54.1 -41.3 -18.5 77.7 125.2 41 42 A Q H 3< S+ 0 0 121 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.709 117.9 38.7 -73.6 -22.9 -19.7 74.1 125.5 42 43 A L H XX S+ 0 0 7 -4,-1.0 3,-1.9 -3,-0.7 4,-0.5 0.453 85.2 99.0-106.9 -3.9 -19.6 73.3 121.8 43 44 A R G >< S+ 0 0 129 -4,-1.6 3,-2.1 1,-0.3 -2,-0.1 0.904 77.1 61.0 -47.8 -48.7 -16.5 75.3 120.9 44 45 A K G 34 S+ 0 0 127 -4,-0.4 37,-0.3 1,-0.3 -1,-0.3 0.679 106.5 45.7 -55.3 -21.0 -14.4 72.1 120.9 45 46 A H G <4 S+ 0 0 9 -3,-1.9 2,-0.4 513,-0.1 -1,-0.3 0.428 86.2 116.7-102.9 -1.5 -16.6 70.5 118.1 46 47 A K << - 0 0 37 -3,-2.1 2,-0.1 -4,-0.5 -22,-0.1 -0.548 59.2-137.8 -77.1 125.4 -16.6 73.6 115.9 47 48 A G - 0 0 1 -24,-0.7 2,-0.4 -2,-0.4 31,-0.2 -0.455 19.7-157.5 -76.2 152.6 -14.9 73.3 112.5 48 49 A E E -C 77 0A 81 29,-1.5 29,-2.7 -2,-0.1 2,-0.5 -0.994 21.9-120.6-136.3 140.3 -12.7 76.2 111.3 49 50 A V E -C 76 0A 25 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.677 28.6-173.3 -75.1 122.1 -11.6 77.4 107.9 50 51 A V E - 0 0 75 25,-2.3 2,-0.3 -2,-0.5 26,-0.2 0.800 57.8 -18.2 -89.2 -32.1 -7.7 77.2 108.1 51 52 A A E -C 75 0A 39 24,-1.4 24,-2.6 2,-0.0 2,-0.3 -0.969 49.2-152.7-172.1 155.2 -6.8 78.8 104.8 52 53 A I - 0 0 44 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.977 4.7-172.1-135.6 147.9 -7.9 79.8 101.3 53 54 A E - 0 0 109 20,-0.4 20,-1.8 -2,-0.3 2,-0.0 -0.843 15.3-148.3-144.2 102.3 -6.0 80.3 98.1 54 55 A E B -D 72 0A 111 -2,-0.3 18,-0.2 18,-0.2 3,-0.0 -0.389 11.4-174.1 -66.4 147.5 -7.8 81.8 95.1 55 56 A L - 0 0 69 16,-2.4 17,-0.2 1,-0.1 -1,-0.1 0.356 38.7-118.4-123.3 -1.9 -6.4 80.4 91.8 56 57 A G - 0 0 40 15,-0.7 -1,-0.1 2,-0.0 13,-0.0 0.195 40.3 -61.9 77.3 155.8 -8.4 82.7 89.4 57 58 A E - 0 0 59 13,-0.1 2,-0.5 1,-0.0 13,-0.1 -0.230 42.5-138.2 -72.3 159.8 -10.9 81.5 86.8 58 59 A S > - 0 0 15 11,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.984 4.5-150.0-124.2 123.5 -10.1 79.3 83.8 59 60 A E H > S+ 0 0 149 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.845 100.0 54.5 -58.4 -34.4 -11.5 79.9 80.4 60 61 A R H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 112.6 40.9 -65.6 -47.5 -11.4 76.2 79.7 61 62 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.954 115.2 51.5 -64.8 -51.8 -13.5 75.3 82.8 62 63 A N H X>S+ 0 0 15 -4,-2.9 4,-1.3 1,-0.3 5,-1.1 0.909 108.9 50.7 -50.7 -49.2 -15.8 78.3 82.3 63 64 A A H <5S+ 0 0 70 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.856 111.4 50.5 -59.1 -35.3 -16.5 77.3 78.7 64 65 A Y H <5S+ 0 0 27 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.908 116.7 36.5 -70.8 -45.3 -17.3 73.7 79.8 65 66 A F H <5S- 0 0 38 -4,-2.5 -1,-0.2 2,-0.3 -2,-0.2 0.506 104.6-126.1 -86.6 -5.0 -19.8 74.6 82.6 66 67 A G T <5S+ 0 0 71 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.717 80.8 70.2 67.6 21.0 -21.2 77.5 80.6 67 68 A K S -A 2 0A 12 0, 0.0 3,-2.3 0, 0.0 -77,-0.3 -0.140 13.6-135.4 -47.1 127.7 -11.8 68.4 115.4 80 81 A T G > S+ 0 0 31 -79,-1.5 3,-1.1 1,-0.3 -78,-0.1 0.654 100.0 75.1 -62.2 -14.1 -11.0 64.7 115.9 81 82 A V G 3 S+ 0 0 71 -80,-0.5 -1,-0.3 -37,-0.3 478,-0.1 0.714 85.7 67.2 -71.1 -17.0 -13.4 64.7 118.9 82 83 A N G < S+ 0 0 16 -3,-2.3 505,-0.5 -38,-0.1 2,-0.3 0.616 106.7 28.0 -78.0 -15.8 -16.2 64.7 116.4 83 84 A F S < S- 0 0 13 -3,-1.1 2,-0.1 -4,-0.2 503,-0.0 -0.949 82.1 -96.9-145.3 165.9 -15.6 61.3 115.0 84 85 A S - 0 0 25 -2,-0.3 2,-1.7 1,-0.1 6,-0.1 -0.368 45.8-100.9 -78.5 161.5 -14.2 57.8 115.8 85 86 A A S S+ 0 0 28 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.551 83.4 97.6 -86.5 76.0 -10.7 56.8 114.9 86 87 A D S > S- 0 0 6 -2,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.971 79.3-110.8-153.8 159.1 -11.3 54.7 111.8 87 88 A L H > S+ 0 0 2 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.898 112.0 56.6 -63.6 -42.7 -11.1 55.3 108.0 88 89 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.942 110.6 45.5 -55.7 -44.7 -14.9 55.0 107.3 89 90 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 112.2 52.5 -64.0 -40.1 -15.6 57.9 109.8 90 91 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.955 111.2 45.0 -60.3 -52.6 -12.7 59.9 108.4 91 92 A L H X S+ 0 0 7 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.920 116.5 45.8 -58.9 -46.3 -14.0 59.6 104.8 92 93 A V H X S+ 0 0 3 -4,-2.5 4,-1.6 -5,-0.3 5,-0.5 0.913 114.6 48.0 -65.3 -42.0 -17.6 60.4 105.8 93 94 A T H < S+ 0 0 8 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.940 122.6 32.2 -64.2 -46.3 -16.6 63.3 108.0 94 95 A T H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.666 142.1 8.0 -88.6 -18.4 -14.2 64.9 105.5 95 96 A F H < S+ 0 0 1 -4,-2.4 4,-0.4 -5,-0.3 -3,-0.2 0.091 94.3 106.7-151.6 29.7 -15.9 64.1 102.2 96 97 A G S < S+ 0 0 1 -4,-1.6 579,-2.7 -6,-0.2 581,-0.4 0.990 99.6 8.6 -74.7 -74.1 -19.3 62.5 103.0 97 98 A K S > S+ 0 0 75 -5,-0.5 3,-2.3 577,-0.2 4,-0.4 0.856 124.3 68.4 -74.4 -36.2 -22.0 65.0 102.1 98 99 A L G > S+ 0 0 1 1,-0.3 3,-1.0 -6,-0.2 -1,-0.2 0.771 88.6 64.0 -53.4 -31.0 -19.4 67.2 100.5 99 100 A S G 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -3,-0.3 3,-0.2 0.681 106.1 45.3 -69.0 -16.2 -18.9 64.7 97.7 100 101 A L G < S+ 0 0 61 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.410 90.1 92.1-102.7 -2.7 -22.5 65.4 96.7 101 102 A D S < S- 0 0 71 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.1 0.384 96.2-105.6 -78.1 4.5 -22.1 69.2 97.0 102 103 A G S S+ 0 0 27 -3,-0.2 2,-1.4 2,-0.1 -1,-0.1 -0.931 88.3 12.8 113.5-131.5 -21.1 69.9 93.4 103 104 A E S S+ 0 0 36 -2,-0.5 -93,-2.2 -93,-0.4 2,-0.4 -0.633 83.8 127.6 -91.8 84.4 -17.6 70.7 92.3 104 105 A V E -B 9 0A 2 -2,-1.4 2,-0.4 -95,-0.2 173,-0.4 -0.988 34.5-170.1-137.7 123.2 -15.5 69.8 95.3 105 106 A R E -B 8 0A 24 -97,-2.4 -97,-2.4 -2,-0.4 2,-0.7 -0.966 22.6-129.4-119.3 130.3 -12.5 67.5 95.1 106 107 A L E +Be 7 278A 1 171,-2.8 173,-3.0 -2,-0.4 -99,-0.2 -0.697 31.3 171.9 -80.1 116.7 -10.7 66.1 98.1 107 108 A L E - 0 0 36 -101,-2.9 2,-0.3 -2,-0.7 175,-0.2 0.832 54.5 -16.8 -95.1 -39.1 -7.0 66.9 97.6 108 109 A D E -B 6 0A 43 -102,-1.6 -102,-3.0 174,-0.1 2,-0.3 -0.992 46.4-143.9-164.9 163.5 -5.3 65.9 100.9 109 110 A L E -B 5 0A 0 -2,-0.3 2,-0.4 -104,-0.2 -104,-0.2 -0.994 9.7-162.0-136.5 139.4 -5.7 65.1 104.6 110 111 A E E -B 4 0A 87 -106,-2.2 -106,-2.4 -2,-0.3 -2,-0.0 -0.991 11.3-159.5-124.6 130.1 -3.4 65.9 107.5 111 112 A F - 0 0 14 -2,-0.4 -108,-0.1 -108,-0.2 -2,-0.0 -0.876 22.7-114.5-115.4 140.8 -3.6 64.1 110.8 112 113 A P > - 0 0 25 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.375 36.9-116.3 -63.4 152.2 -2.4 65.1 114.3 113 114 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.873 112.3 53.7 -58.9 -42.6 0.3 62.6 115.3 114 115 A E H 4 S+ 0 0 134 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.852 114.0 44.4 -62.3 -34.1 -1.6 61.1 118.3 115 116 A W H >4 S+ 0 0 12 -3,-0.3 3,-2.2 1,-0.2 -2,-0.2 0.954 112.7 50.2 -71.7 -52.7 -4.5 60.4 116.0 116 117 A K H >< S+ 0 0 19 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.792 97.6 69.8 -55.4 -32.3 -2.2 59.0 113.2 117 118 A R T 3< S+ 0 0 186 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.461 85.8 70.7 -68.9 1.6 -0.6 56.8 115.8 118 119 A Q T < S+ 0 0 109 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.412 87.6 75.0 -97.5 0.4 -3.8 54.9 115.9 119 120 A F S < S- 0 0 10 -3,-2.0 172,-0.1 1,-0.1 173,-0.1 -0.866 78.0-133.1-113.3 147.4 -3.2 53.4 112.4 120 121 A P - 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0 0 91 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.800 63.4-100.3-109.1 148.6 -56.6 69.5 97.2 792 388 B P >> - 0 0 72 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.285 27.8-128.4 -57.9 136.1 -54.2 72.5 96.8 793 389 B L H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.838 110.1 57.8 -57.8 -33.8 -51.9 73.1 99.7 794 390 B R H 3> S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.796 105.9 52.1 -68.0 -24.7 -52.9 76.7 99.9 795 391 B A H X> S+ 0 0 30 -3,-1.2 3,-1.1 2,-0.2 4,-0.6 0.981 114.4 39.0 -71.5 -58.2 -56.5 75.5 100.3 796 392 B A H >< S+ 0 0 11 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.819 107.7 66.0 -60.8 -32.5 -55.7 73.2 103.2 797 393 B A H >< S+ 0 0 2 -4,-2.7 3,-1.2 -5,-0.3 7,-0.4 0.822 91.1 63.8 -59.8 -32.0 -53.2 75.7 104.6 798 394 B A H << S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.831 111.9 35.1 -62.1 -32.5 -56.2 78.0 105.3 799 395 B E T << S+ 0 0 138 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.3 0.170 114.9 63.6-107.4 15.7 -57.6 75.5 107.8 800 396 B N <> - 0 0 54 -3,-1.2 4,-2.2 1,-0.1 3,-0.2 -0.797 60.9-164.3-145.4 100.4 -54.2 74.3 109.1 801 397 B E H > S+ 0 0 123 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.882 88.3 49.9 -47.4 -55.6 -51.9 76.7 110.9 802 398 B A H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 112.5 46.3 -55.6 -46.8 -48.7 74.6 110.8 803 399 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 110.0 56.1 -64.2 -37.0 -48.9 74.0 107.0 804 400 B Q H X S+ 0 0 46 -4,-2.2 4,-2.0 -7,-0.4 -2,-0.2 0.950 107.1 48.0 -59.2 -50.4 -49.7 77.7 106.5 805 401 B K H X S+ 0 0 74 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.818 109.6 54.9 -60.7 -32.1 -46.5 78.7 108.3 806 402 B A H X S+ 0 0 0 -4,-1.6 4,-3.4 -5,-0.2 5,-0.5 0.967 109.5 44.8 -66.0 -52.5 -44.6 76.2 106.2 807 403 B I H X S+ 0 0 3 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.827 112.4 51.9 -60.5 -36.2 -45.8 77.6 102.8 808 404 B D H < S+ 0 0 104 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.841 117.2 40.8 -69.3 -33.1 -45.2 81.2 104.0 809 405 B R H < S+ 0 0 133 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.894 136.3 11.1 -82.3 -44.2 -41.7 80.3 105.0 810 406 B W H < S- 0 0 77 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.493 95.6-133.1-117.4 -5.5 -40.6 78.0 102.1 811 407 B G < - 0 0 25 -4,-1.7 2,-0.3 -5,-0.5 -66,-0.2 -0.121 19.3-109.8 78.2 179.6 -43.3 78.4 99.4 812 408 B V - 0 0 30 -5,-0.1 2,-0.6 -66,-0.1 -66,-0.2 -0.995 5.2-144.7-152.3 152.3 -45.1 75.7 97.5 813 409 B V - 0 0 69 -68,-2.0 -64,-0.3 -2,-0.3 2,-0.1 -0.929 29.4-149.6-120.2 101.5 -45.3 74.2 94.1 814 410 B E - 0 0 73 -2,-0.6 2,-0.4 -66,-0.1 -69,-0.0 -0.362 9.6-163.9 -71.1 149.7 -48.9 73.1 93.5 815 411 B V - 0 0 53 -2,-0.1 -2,-0.0 -63,-0.0 -1,-0.0 -0.944 26.0-119.9-137.3 110.6 -49.7 70.1 91.3 816 412 B E 0 0 187 -2,-0.4 -25,-0.1 1,-0.1 -26,-0.0 -0.217 360.0 360.0 -54.4 135.0 -53.3 69.8 90.1 817 413 B A 0 0 129 -27,-0.4 -1,-0.1 -28,-0.0 -26,-0.1 0.963 360.0 360.0 -65.2 360.0 -55.1 66.6 91.2