==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-MAY-00 1EYP . COMPND 2 MOLECULE: CHALCONE-FLAVONONE ISOMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.M.JEZ,M.E.BOWMAN,R.A.DIXON,J.P.NOEL . 419 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 1 0 2 2 0 0 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 5 1 0 2 4 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 4 A S 0 0 146 0, 0.0 2,-0.4 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 -7.1 1.1 21.7 47.6 2 5 A I - 0 0 38 1,-0.1 12,-0.1 206,-0.0 25,-0.1 -0.831 360.0-128.2-103.2 141.7 4.6 22.2 46.2 3 6 A T - 0 0 96 -2,-0.4 24,-0.2 1,-0.1 2,-0.2 -0.155 13.0-120.6 -82.4 175.9 5.6 25.1 44.1 4 7 A A - 0 0 42 10,-0.0 2,-0.4 9,-0.0 -1,-0.1 -0.525 22.7-139.0-104.5 176.9 7.3 25.3 40.7 5 8 A I E -A 12 0A 38 7,-2.1 7,-2.3 -2,-0.2 2,-0.5 -0.978 5.7-155.9-145.4 129.8 10.5 27.2 40.1 6 9 A T E -A 11 0A 84 -2,-0.4 2,-0.5 5,-0.2 5,-0.3 -0.909 9.0-170.0-107.2 130.4 11.6 29.3 37.2 7 10 A V E > S-A 10 0A 11 3,-3.2 3,-2.6 -2,-0.5 39,-0.1 -0.981 74.1 -22.0-122.6 117.8 15.3 29.7 36.5 8 11 A E T 3 S- 0 0 100 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.867 127.2 -52.0 50.6 43.7 16.3 32.4 33.9 9 12 A N T 3 S+ 0 0 156 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.430 115.0 121.3 75.2 -0.8 12.8 32.2 32.4 10 13 A L E < -A 7 0A 25 -3,-2.6 -3,-3.2 83,-0.1 2,-0.3 -0.859 58.1-140.6 -94.5 116.8 13.1 28.4 32.1 11 14 A E E -A 6 0A 109 -2,-0.7 -5,-0.2 -5,-0.3 -3,-0.0 -0.613 14.0-159.9 -89.0 140.7 10.2 26.9 34.1 12 15 A Y E -A 5 0A 0 -7,-2.3 -7,-2.1 -2,-0.3 15,-0.1 -0.932 24.1-131.2-117.0 104.9 10.4 23.8 36.3 13 16 A P - 0 0 43 0, 0.0 14,-0.1 0, 0.0 -10,-0.1 -0.182 14.9-124.5 -52.6 141.7 6.9 22.3 36.9 14 17 A A S S+ 0 0 23 -12,-0.1 13,-2.8 12,-0.1 2,-0.3 0.851 94.4 15.5 -59.0 -35.5 6.1 21.5 40.5 15 18 A V E S-B 26 0B 85 11,-0.2 2,-0.3 35,-0.1 11,-0.2 -0.931 71.1-175.6-137.1 160.0 5.4 17.9 39.5 16 19 A V E -B 25 0B 27 9,-2.2 9,-2.4 -2,-0.3 2,-0.4 -0.985 15.6-139.4-154.3 159.6 6.1 15.7 36.5 17 20 A T E -B 24 0B 79 -2,-0.3 7,-0.2 7,-0.2 150,-0.1 -0.987 19.9-127.9-131.3 129.5 5.5 12.2 35.0 18 21 A S > - 0 0 5 5,-2.3 4,-1.6 -2,-0.4 151,-0.1 -0.540 6.9-161.3 -75.4 125.4 7.9 9.9 33.1 19 22 A P T 4 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 150,-0.1 0.635 94.6 51.0 -78.3 -12.6 6.7 8.7 29.7 20 23 A V T 4 S+ 0 0 56 148,-0.1 149,-0.1 3,-0.1 151,-0.0 0.888 128.7 13.9 -88.7 -48.3 9.3 6.0 30.0 21 24 A T T 4 S- 0 0 49 2,-0.1 3,-0.1 0, 0.0 -1,-0.0 0.508 89.2-132.2-107.6 -8.6 8.7 4.5 33.5 22 25 A G < + 0 0 53 -4,-1.6 2,-0.0 1,-0.2 0, 0.0 0.486 61.3 138.0 70.5 0.1 5.2 6.0 34.1 23 26 A K - 0 0 77 -6,-0.1 -5,-2.3 1,-0.1 2,-0.4 -0.250 49.2-127.9 -75.5 164.6 6.5 7.1 37.5 24 27 A S E -B 17 0B 37 -7,-0.2 29,-2.8 -3,-0.1 30,-0.3 -0.947 22.9-174.7-119.6 137.8 5.8 10.5 39.1 25 28 A Y E -BC 16 52B 2 -9,-2.4 -9,-2.2 -2,-0.4 2,-0.3 -0.845 13.7-143.6-125.4 161.2 8.3 12.9 40.6 26 29 A F E -BC 15 51B 12 25,-2.4 25,-2.4 -2,-0.3 2,-0.3 -0.914 37.2 -92.9-123.0 151.0 8.1 16.2 42.5 27 30 A L E + C 0 50B 1 -13,-2.8 23,-0.2 -2,-0.3 3,-0.1 -0.470 38.5 177.6 -65.9 122.0 10.5 19.1 42.2 28 31 A G E - 0 0 0 21,-3.6 177,-0.3 1,-0.4 2,-0.3 0.767 63.0 -36.7 -94.6 -30.9 13.2 18.8 44.7 29 32 A G E - C 0 49B 0 20,-1.1 20,-2.7 172,-0.1 -1,-0.4 -0.953 49.7-150.1 179.1 164.9 15.1 21.9 43.7 30 33 A A E + C 0 48B 5 -2,-0.3 2,-0.3 18,-0.3 18,-0.3 -0.872 24.1 144.0-141.1 172.3 16.2 24.0 40.7 31 34 A G E - C 0 47B 9 16,-1.5 16,-3.1 -2,-0.3 2,-0.3 -0.990 37.0 -91.0 173.9-175.9 19.2 26.2 39.9 32 35 A E E - C 0 46B 41 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.830 23.8-168.7-122.4 161.9 21.7 27.6 37.5 33 36 A R E + C 0 45B 39 12,-2.1 11,-2.7 -2,-0.3 12,-1.7 -0.968 23.7 124.3-145.8 153.2 25.2 26.6 36.3 34 37 A G E - C 0 43B 27 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.820 50.6 -69.4-172.6-147.0 27.8 28.3 34.3 35 38 A L E - C 0 42B 94 7,-2.1 7,-3.5 -2,-0.2 2,-0.8 -0.979 28.2-132.5-136.5 146.7 31.4 29.5 34.1 36 39 A T E - C 0 41B 91 -2,-0.3 2,-0.8 5,-0.2 5,-0.3 -0.893 22.0-170.5-104.5 108.7 33.2 32.2 36.0 37 40 A I E > S- C 0 40B 85 3,-2.5 3,-1.6 -2,-0.8 -2,-0.0 -0.873 71.2 -30.5-102.6 104.7 35.3 34.3 33.5 38 41 A E T 3 S- 0 0 180 -2,-0.8 2,-0.8 1,-0.3 -1,-0.2 0.974 127.6 -40.2 49.3 72.6 37.6 36.7 35.4 39 42 A G T 3 S+ 0 0 75 -3,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.078 118.9 110.5 70.4 -27.3 35.4 37.2 38.4 40 43 A N E < -C 37 0B 116 -3,-1.6 -3,-2.5 -2,-0.8 2,-0.7 -0.641 62.8-139.8 -85.3 136.5 32.2 37.3 36.2 41 44 A F E -C 36 0B 101 -2,-0.3 2,-0.7 -5,-0.3 -5,-0.2 -0.842 15.1-166.4 -97.8 112.6 29.7 34.5 36.4 42 45 A I E -C 35 0B 37 -7,-3.5 -7,-2.1 -2,-0.7 2,-0.1 -0.873 14.2-142.9-102.4 110.3 28.3 33.6 33.0 43 46 A K E +C 34 0B 74 -2,-0.7 -9,-0.3 -9,-0.2 3,-0.1 -0.363 28.3 164.8 -69.7 146.3 25.2 31.4 33.2 44 47 A F E + 0 0 47 -11,-2.7 51,-4.2 1,-0.4 52,-2.0 0.635 57.4 13.2-129.8 -42.5 24.7 28.7 30.7 45 48 A T E -CD 33 94B 7 -12,-1.7 -12,-2.1 49,-0.3 -1,-0.4 -0.935 58.0-131.6-139.2 162.5 22.1 26.2 31.8 46 49 A A E -CD 32 93B 0 47,-3.5 47,-2.2 -2,-0.3 2,-0.4 -0.844 25.4-158.3-108.9 147.9 19.3 25.8 34.4 47 50 A I E -CD 31 92B 10 -16,-3.1 -16,-1.5 -2,-0.3 2,-0.3 -0.991 10.4-177.1-132.8 141.6 19.1 22.5 36.4 48 51 A G E -CD 30 91B 0 43,-1.5 43,-1.8 -2,-0.4 2,-0.5 -0.984 12.7-150.9-135.9 146.1 16.3 20.8 38.2 49 52 A V E -CD 29 90B 1 -20,-2.7 -21,-3.6 -2,-0.3 -20,-1.1 -0.969 11.3-168.5-120.9 122.1 16.1 17.7 40.4 50 53 A Y E -CD 27 89B 3 39,-3.4 39,-2.6 -2,-0.5 2,-0.4 -0.891 5.6-156.1-110.1 139.8 13.0 15.7 40.7 51 54 A L E -CD 26 88B 0 -25,-2.4 -25,-2.4 -2,-0.4 37,-0.2 -0.927 29.5-103.1-114.5 136.3 12.4 12.9 43.2 52 55 A E E > -C 25 0B 12 35,-2.2 3,-2.5 -2,-0.4 4,-0.3 -0.256 33.5-116.6 -53.5 141.5 10.0 10.0 42.8 53 56 A D T > S+ 0 0 82 -29,-2.8 3,-1.3 1,-0.3 4,-0.4 0.830 115.3 61.2 -52.9 -34.9 6.8 10.6 44.9 54 57 A I T 3> S+ 0 0 81 -30,-0.3 4,-1.6 1,-0.3 -1,-0.3 0.639 81.8 86.8 -68.5 -11.5 7.7 7.4 47.0 55 58 A A H <> S+ 0 0 0 -3,-2.5 4,-2.7 1,-0.2 -1,-0.3 0.840 81.1 59.3 -56.9 -36.2 10.9 9.2 48.0 56 59 A V H <> S+ 0 0 32 -3,-1.3 4,-3.0 -4,-0.3 -1,-0.2 0.965 103.1 48.8 -58.7 -56.0 9.0 10.9 50.9 57 60 A A H > S+ 0 0 77 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.870 114.1 48.9 -51.2 -40.2 8.0 7.6 52.6 58 61 A S H < S+ 0 0 15 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.922 116.0 40.5 -66.7 -47.3 11.6 6.5 52.2 59 62 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 5,-0.4 0.740 97.2 80.4 -75.6 -26.3 13.1 9.7 53.7 60 63 A A H X S+ 0 0 31 -4,-3.0 4,-2.2 -5,-0.2 3,-0.3 0.916 82.9 64.1 -45.0 -55.0 10.5 10.0 56.4 61 64 A A H < S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.873 119.4 18.0 -37.8 -60.0 12.2 7.4 58.6 62 65 A K H 4 S+ 0 0 7 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.602 133.3 35.1 -98.5 -9.8 15.4 9.4 59.2 63 66 A W H >< S+ 0 0 17 -4,-2.3 3,-1.6 -3,-0.3 2,-0.4 0.521 73.8 118.5-128.1 -2.0 14.5 13.1 58.3 64 67 A K T 3< S+ 0 0 132 -4,-2.2 147,-0.1 -5,-0.4 144,-0.1 -0.539 85.2 22.5 -66.7 123.9 10.8 13.7 59.3 65 68 A G T 3 S+ 0 0 58 -2,-0.4 -1,-0.2 1,-0.3 2,-0.2 0.557 92.3 131.5 97.1 12.9 10.9 16.5 62.0 66 69 A K < - 0 0 88 -3,-1.6 -1,-0.3 141,-0.1 2,-0.2 -0.629 58.0-111.5 -94.4 155.8 14.3 18.0 61.0 67 70 A S > - 0 0 38 -2,-0.2 4,-2.8 1,-0.1 3,-0.4 -0.602 24.6-115.5 -86.2 146.8 14.9 21.7 60.5 68 71 A S H > S+ 0 0 30 1,-0.3 4,-1.6 -2,-0.2 -1,-0.1 0.760 120.9 45.4 -51.1 -25.1 15.7 23.1 57.0 69 72 A E H > S+ 0 0 114 2,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.805 107.5 54.5 -88.9 -34.2 19.1 24.1 58.5 70 73 A E H > S+ 0 0 79 -3,-0.4 4,-0.8 2,-0.2 3,-0.4 0.935 113.7 45.0 -62.7 -45.2 19.8 20.7 60.3 71 74 A L H >< S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 6,-0.2 0.985 107.7 55.3 -60.4 -60.9 19.2 19.1 56.9 72 75 A L H 3< S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.718 112.1 45.6 -46.4 -24.4 21.3 21.5 54.9 73 76 A E H 3< S+ 0 0 146 -4,-1.1 2,-0.8 -3,-0.4 -1,-0.3 0.592 94.8 87.1 -99.2 -11.9 24.2 20.7 57.2 74 77 A T XX - 0 0 44 -3,-2.4 3,-1.0 -4,-0.8 4,-0.8 -0.800 54.1-168.0 -97.3 110.7 23.9 16.9 57.3 75 78 A L H >> S+ 0 0 59 -2,-0.8 4,-2.1 1,-0.3 3,-1.1 0.898 86.6 65.2 -57.8 -44.1 25.7 15.1 54.5 76 79 A D H 3> S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.798 94.8 61.6 -50.2 -32.4 23.9 11.8 55.3 77 80 A F H <> S+ 0 0 0 -3,-1.0 4,-1.0 -6,-0.2 -1,-0.3 0.914 108.4 40.6 -62.6 -43.6 20.7 13.5 54.3 78 81 A Y H < S+ 0 0 0 -4,-1.0 3,-0.6 2,-0.2 -2,-0.2 0.922 115.7 44.9 -73.7 -42.1 18.7 11.5 48.4 82 85 A I H 3< S+ 0 0 2 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.912 128.8 24.6 -66.8 -44.2 21.4 10.4 46.0 83 86 A S T 3< S+ 0 0 58 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 -0.073 89.0 138.3-116.1 32.5 21.3 6.7 46.7 84 87 A G < - 0 0 4 -3,-0.6 2,-2.6 -4,-0.2 279,-0.1 -0.427 69.5-102.3 -75.4 150.8 17.7 6.4 48.0 85 88 A P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.211 95.3 74.1 -72.9 52.9 15.6 3.4 46.9 86 89 A F S S- 0 0 0 -2,-2.6 2,-0.3 -5,-0.1 -2,-0.1 -0.941 87.8 -85.2-153.7 171.6 13.7 5.5 44.3 87 90 A E - 0 0 4 -2,-0.3 -35,-2.2 65,-0.1 2,-0.4 -0.646 33.4-162.5 -88.4 141.6 14.1 7.1 40.9 88 91 A K E -DE 51 151B 3 63,-1.9 63,-3.5 -2,-0.3 2,-0.4 -0.956 2.4-160.0-121.0 142.1 15.6 10.6 40.5 89 92 A L E -DE 50 150B 5 -39,-2.6 -39,-3.4 -2,-0.4 2,-0.5 -0.989 3.2-166.3-127.2 123.8 15.1 12.7 37.4 90 93 A I E -DE 49 149B 3 59,-2.7 59,-2.8 -2,-0.4 2,-0.6 -0.943 2.3-164.8-114.8 122.5 17.4 15.6 36.5 91 94 A R E -DE 48 148B 5 -43,-1.8 -43,-1.5 -2,-0.5 2,-0.6 -0.914 1.9-168.8-111.7 119.0 16.5 18.1 33.8 92 95 A G E -DE 47 147B 1 55,-2.6 55,-2.0 -2,-0.6 2,-0.4 -0.918 6.0-173.9-106.6 121.2 19.1 20.4 32.3 93 96 A S E -DE 46 146B 0 -47,-2.2 -47,-3.5 -2,-0.6 53,-0.2 -0.942 22.0-124.2-113.9 135.1 17.8 23.2 30.1 94 97 A K E -D 45 0B 0 51,-2.5 50,-2.5 -2,-0.4 -49,-0.3 -0.501 24.4-178.8 -83.5 149.2 20.1 25.5 28.2 95 98 A I S S+ 0 0 33 -51,-4.2 2,-0.4 1,-0.3 -50,-0.2 0.626 85.1 36.7-107.5 -32.7 20.2 29.3 28.5 96 99 A R S S- 0 0 130 -52,-2.0 -1,-0.3 46,-0.1 45,-0.1 -0.987 100.6-102.4-126.8 125.6 23.0 29.5 26.0 97 100 A E + 0 0 115 -2,-0.4 2,-0.3 -3,-0.1 -52,-0.0 -0.161 47.3 171.4 -49.3 123.4 23.3 27.2 23.0 98 101 A L E -H 141 0C 28 43,-1.8 43,-2.7 44,-0.0 2,-0.1 -0.981 30.7-118.2-134.1 146.9 25.9 24.4 23.5 99 102 A S E > -H 140 0C 27 -2,-0.3 4,-2.6 41,-0.2 5,-0.3 -0.383 33.3-106.7 -79.2 164.8 26.7 21.4 21.4 100 103 A G H > S+ 0 0 0 39,-2.8 4,-2.4 37,-0.3 37,-0.2 0.938 122.0 43.7 -56.0 -50.5 26.2 17.9 22.8 101 104 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.829 112.2 54.8 -64.7 -32.9 30.0 17.4 23.1 102 105 A E H > S+ 0 0 108 2,-0.2 4,-0.6 1,-0.1 -2,-0.2 0.977 113.4 39.5 -63.3 -57.4 30.5 20.9 24.5 103 106 A Y H >X S+ 0 0 21 -4,-2.6 4,-1.0 1,-0.2 3,-0.7 0.926 115.4 51.8 -57.6 -51.5 28.0 20.5 27.3 104 107 A S H 3X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.816 91.5 76.2 -59.1 -35.8 29.0 16.9 28.2 105 108 A R H 3X S+ 0 0 137 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.856 100.3 39.4 -46.7 -47.3 32.7 17.5 28.5 106 109 A K H XX S+ 0 0 98 -3,-0.7 4,-2.2 -4,-0.6 3,-0.7 0.975 115.3 48.7 -72.2 -55.2 32.5 19.2 31.9 107 110 A V H 3X S+ 0 0 21 -4,-1.0 4,-2.0 1,-0.3 -2,-0.2 0.877 111.2 52.2 -54.0 -38.3 29.9 17.0 33.6 108 111 A M H 3X S+ 0 0 33 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.856 107.0 54.4 -65.4 -31.1 31.8 13.9 32.4 109 112 A E H S+ 0 0 1 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.882 113.7 43.0 -60.3 -43.3 34.4 8.0 40.5 116 119 A K H ><5S+ 0 0 137 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.841 112.4 58.0 -72.1 -30.1 38.3 7.9 40.8 117 120 A S H 3<5S+ 0 0 63 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.947 109.1 40.7 -62.0 -53.2 37.9 9.8 44.1 118 121 A V T 3<5S- 0 0 28 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.113 118.2-108.6 -85.7 21.3 35.7 7.1 45.7 119 122 A G T < 5S+ 0 0 46 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.742 88.0 112.4 60.5 27.9 37.8 4.3 44.2 120 123 A T < + 0 0 27 -5,-2.8 2,-0.5 -6,-0.2 -4,-0.2 -0.294 34.1 112.2-125.2 50.8 35.2 3.1 41.7 121 124 A Y + 0 0 74 -5,-0.2 2,-0.1 -6,-0.1 -1,-0.1 -0.709 40.1 142.0-123.1 82.6 36.7 3.9 38.4 122 125 A G > - 0 0 32 -2,-0.5 4,-2.5 1,-0.0 5,-0.2 -0.288 69.7 -74.6-105.7-167.4 37.5 0.7 36.6 123 126 A D H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 130.3 53.7 -57.2 -40.1 37.3 -0.6 33.0 124 127 A A H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.961 111.0 43.2 -59.9 -53.9 33.6 -0.9 33.4 125 128 A E H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 112.2 54.8 -61.4 -37.2 33.0 2.7 34.5 126 129 A A H X S+ 0 0 35 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.969 111.6 43.2 -62.2 -51.4 35.5 4.0 31.9 127 130 A E H X S+ 0 0 127 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.908 111.5 55.0 -59.6 -42.7 33.6 2.3 29.1 128 131 A A H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.888 107.9 50.0 -57.6 -38.9 30.3 3.4 30.6 129 132 A M H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.780 107.5 53.5 -70.9 -27.8 31.6 7.0 30.5 130 133 A Q H X S+ 0 0 125 -4,-1.5 4,-2.9 -3,-0.3 -1,-0.2 0.859 109.6 47.8 -74.0 -35.3 32.6 6.5 26.8 131 134 A K H X S+ 0 0 111 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 110.4 53.7 -68.2 -40.5 29.0 5.4 26.1 132 135 A F H >X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 3,-0.5 0.963 112.8 42.3 -55.1 -56.3 27.8 8.4 28.0 133 136 A A H >X S+ 0 0 18 -4,-2.5 3,-1.4 1,-0.2 4,-1.3 0.933 110.0 58.7 -56.4 -48.9 30.0 10.7 25.9 134 137 A E H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.802 99.5 57.7 -52.3 -35.7 28.9 8.8 22.7 135 138 A A H << S+ 0 0 16 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.768 106.3 48.8 -69.2 -27.4 25.3 9.6 23.4 136 139 A F H X< S+ 0 0 0 -3,-1.4 3,-2.5 -4,-0.8 -36,-0.2 0.778 89.0 83.3 -83.6 -29.8 25.8 13.3 23.3 137 140 A K T 3< S+ 0 0 107 -4,-1.3 -37,-0.3 1,-0.3 -1,-0.1 0.870 90.2 47.7 -42.0 -55.5 27.9 13.5 20.1 138 141 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.415 102.8 92.0 -72.6 9.0 24.9 13.6 17.7 139 142 A V < - 0 0 30 -3,-2.5 -39,-2.8 2,-0.0 2,-0.3 -0.671 49.5-170.7-111.0 157.6 23.1 16.3 19.7 140 143 A N E -H 99 0C 75 -41,-0.3 -41,-0.2 -2,-0.2 -43,-0.0 -0.998 12.1-151.0-140.4 141.3 22.8 20.1 19.9 141 144 A F E -H 98 0C 0 -43,-2.7 -43,-1.8 -2,-0.3 3,-0.1 -0.797 13.1-174.5-117.4 91.0 21.2 22.2 22.6 142 145 A P > - 0 0 51 0, 0.0 3,-2.8 0, 0.0 -48,-0.3 -0.361 55.5 -61.2 -70.0 166.0 19.7 25.6 21.4 143 146 A P T 3 S+ 0 0 85 0, 0.0 -48,-0.2 0, 0.0 3,-0.1 -0.229 131.0 21.5 -52.5 134.0 18.4 27.8 24.1 144 147 A G T 3 S+ 0 0 20 -50,-2.5 -49,-0.1 1,-0.4 2,-0.1 0.195 92.2 131.3 92.5 -12.6 15.5 26.1 25.9 145 148 A A < - 0 0 1 -3,-2.8 -51,-2.5 -52,-0.1 -1,-0.4 -0.388 43.6-148.4 -68.6 150.7 16.6 22.6 24.8 146 149 A S E -EF 93 162B 0 16,-1.9 16,-2.6 18,-0.7 2,-0.4 -0.834 18.8-154.6-127.5 162.5 16.8 20.0 27.6 147 150 A V E -EF 92 161B 0 -55,-2.0 -55,-2.6 -2,-0.3 2,-0.5 -0.991 17.5-152.1-129.4 135.8 18.7 16.9 28.7 148 151 A F E -EF 91 160B 5 12,-3.0 12,-1.7 -2,-0.4 2,-0.6 -0.960 7.1-167.1-118.1 126.2 17.1 14.3 31.0 149 152 A Y E -EF 90 159B 1 -59,-2.8 -59,-2.7 -2,-0.5 2,-0.8 -0.939 5.8-166.8-107.6 111.1 19.0 12.1 33.4 150 153 A R E -EF 89 158B 24 8,-2.8 8,-3.4 -2,-0.6 2,-1.0 -0.884 4.6-161.8-101.1 110.3 16.8 9.3 34.7 151 154 A Q E -EF 88 157B 7 -63,-3.5 -63,-1.9 -2,-0.8 6,-0.2 -0.788 7.2-160.9 -95.0 99.5 18.6 7.7 37.7 152 155 A S E >> - F 0 156B 8 4,-2.4 3,-1.2 -2,-1.0 4,-0.8 -0.600 22.0-133.5 -77.8 137.5 17.0 4.3 38.2 153 156 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -66,-0.1 0.639 100.8 77.1 -65.9 -9.1 17.6 2.8 41.7 154 157 A D T 34 S- 0 0 45 2,-0.1 3,-0.1 139,-0.1 24,-0.1 0.132 122.4 -95.6 -88.0 21.2 18.4 -0.3 39.8 155 158 A G T <4 S+ 0 0 0 -3,-1.2 22,-1.0 1,-0.2 2,-0.4 0.782 87.2 122.5 73.4 27.2 21.9 1.0 38.8 156 159 A I E < -FG 152 176B 15 -4,-0.8 -4,-2.4 20,-0.2 2,-0.6 -0.950 48.6-151.5-123.6 142.3 20.8 2.3 35.4 157 160 A L E -FG 151 175B 1 18,-2.6 18,-3.0 -2,-0.4 2,-0.4 -0.959 12.1-153.2-115.1 118.9 21.2 5.8 34.0 158 161 A G E -FG 150 174B 0 -8,-3.4 -8,-2.8 -2,-0.6 2,-0.5 -0.773 8.9-164.7 -93.1 134.4 18.6 6.9 31.4 159 162 A L E +FG 149 173B 0 14,-2.7 14,-1.9 -2,-0.4 13,-1.5 -0.977 16.4 158.9-122.5 126.4 19.6 9.5 28.9 160 163 A S E -F 148 0B 5 -12,-1.7 -12,-3.0 -2,-0.5 2,-0.4 -0.991 23.1-148.5-147.7 138.0 17.2 11.4 26.7 161 164 A F E -F 147 0B 37 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.846 8.5-159.8-108.8 141.3 17.4 14.7 24.9 162 165 A S E -F 146 0B 7 -16,-2.6 -16,-1.9 -2,-0.4 5,-0.1 -0.943 20.5-145.0-121.9 140.3 14.6 17.2 24.1 163 166 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.846 94.1 10.8 -69.0 -29.3 14.4 19.9 21.5 164 167 A D S S- 0 0 73 2,-0.2 -18,-0.7 -19,-0.2 -2,-0.2 -0.117 108.0 -69.1-119.6-141.6 12.4 21.9 24.0 165 168 A T S S+ 0 0 62 -20,-0.1 2,-0.3 -2,-0.1 -20,-0.1 0.005 92.4 94.8-112.8 27.8 11.6 21.6 27.7 166 169 A S S S- 0 0 65 -20,-0.1 -2,-0.2 1,-0.0 -20,-0.1 -0.865 82.5 -91.7-117.8 154.9 9.2 18.6 27.8 167 170 A I - 0 0 33 -2,-0.3 2,-0.1 -150,-0.1 -2,-0.1 -0.464 37.9-130.2 -69.9 121.9 10.1 14.9 28.5 168 171 A P - 0 0 26 0, 0.0 -148,-0.1 0, 0.0 -1,-0.1 -0.413 10.7-134.4 -69.6 144.8 10.8 12.8 25.5 169 172 A E S S+ 0 0 149 -150,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.751 87.2 44.9 -74.2 -24.6 8.9 9.6 25.3 170 173 A K S S- 0 0 182 -150,-0.0 2,-0.4 0, 0.0 -150,-0.1 -0.897 82.6-126.1-118.7 149.2 11.9 7.4 24.3 171 174 A E - 0 0 43 -2,-0.3 -11,-0.3 1,-0.1 3,-0.1 -0.769 5.7-144.7 -96.9 142.6 15.4 7.5 25.8 172 175 A A S S- 0 0 64 -13,-1.5 2,-0.3 -2,-0.4 -12,-0.2 0.908 78.5 -0.4 -69.5 -44.8 18.5 8.0 23.6 173 176 A A E -G 159 0B 18 -14,-1.9 -14,-2.7 2,-0.0 2,-0.5 -0.992 55.6-144.5-148.8 154.4 20.8 5.7 25.6 174 177 A L E -G 158 0B 71 -2,-0.3 2,-0.7 -16,-0.2 -16,-0.2 -0.986 13.5-158.8-119.2 121.8 20.8 3.5 28.7 175 178 A I E -G 157 0B 1 -18,-3.0 -18,-2.6 -2,-0.5 2,-1.1 -0.894 5.6-160.9-106.9 109.1 24.0 3.4 30.7 176 179 A E E +G 156 0B 94 -2,-0.7 2,-0.3 -20,-0.2 -20,-0.2 -0.720 46.8 105.9 -95.0 91.3 24.1 0.2 32.8 177 180 A N > - 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0 0 29 -2,-0.2 -1,-0.1 -145,-0.1 -2,-0.1 -0.610 34.4-122.3 -77.8 122.3 15.5 -13.9 64.0 377 171 B P - 0 0 24 0, 0.0 -143,-0.2 0, 0.0 -6,-0.1 -0.227 8.4-136.0 -60.8 149.6 14.8 -11.7 67.0 378 172 B E S S+ 0 0 162 -145,-0.1 2,-0.3 -146,-0.1 -2,-0.0 0.822 89.5 36.6 -78.4 -31.3 11.4 -9.8 67.2 379 173 B K S S- 0 0 183 -145,-0.0 2,-0.3 0, 0.0 -145,-0.1 -0.900 84.5-124.5-119.3 151.1 12.9 -6.5 68.3 380 174 B E - 0 0 46 -2,-0.3 -11,-0.3 1,-0.1 3,-0.1 -0.684 5.8-143.3 -94.6 149.3 16.2 -5.1 67.3 381 175 B A S S+ 0 0 65 -13,-1.7 2,-0.3 -2,-0.3 -12,-0.2 0.874 79.7 6.4 -77.1 -38.3 18.9 -4.1 69.8 382 176 B A E -O 368 0E 18 -14,-2.1 -14,-2.2 2,-0.0 2,-0.4 -0.964 54.8-148.0-146.4 163.2 20.1 -1.0 67.9 383 177 B L E -O 367 0E 65 -2,-0.3 2,-0.9 -16,-0.2 -16,-0.2 -0.903 10.7-162.8-136.0 104.2 19.4 1.2 64.9 384 178 B I E -O 366 0E 2 -18,-3.6 -18,-2.7 -2,-0.4 2,-1.5 -0.767 5.0-162.8 -91.2 105.9 22.3 2.9 63.1 385 179 B E + 0 0 86 -2,-0.9 2,-0.3 -20,-0.2 -20,-0.2 -0.581 47.8 111.8 -90.9 78.4 20.9 5.7 61.0 386 180 B N > - 0 0 4 -2,-1.5 4,-2.8 -22,-0.4 -22,-0.1 -0.922 54.5-151.6-150.6 119.3 23.8 6.4 58.6 387 181 B K H > S+ 0 0 29 -2,-0.3 4,-1.2 2,-0.2 5,-0.2 0.948 97.2 47.8 -56.4 -55.3 23.7 5.6 54.9 388 182 B A H >> S+ 0 0 12 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.918 117.1 42.3 -54.7 -47.3 27.4 5.0 54.5 389 183 B V H >> S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.7 0.882 102.5 70.1 -68.3 -36.6 27.6 2.7 57.5 390 184 B S H 3< S+ 0 0 4 -4,-2.8 4,-0.3 1,-0.3 -1,-0.2 0.806 109.8 32.2 -52.3 -34.8 24.4 0.9 56.5 391 185 B S H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 3,-1.1 0.894 109.3 55.6 -62.3 -40.3 27.9 -6.2 53.4 395 189 B E H 3X S+ 0 0 38 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.930 102.5 60.9 -54.6 -42.4 30.5 -4.3 51.3 396 190 B T H 3< S+ 0 0 22 -4,-2.5 7,-0.6 1,-0.2 -1,-0.3 0.774 113.1 33.5 -54.7 -31.5 32.9 -6.0 53.7 397 191 B M H << S+ 0 0 10 -3,-1.1 11,-0.4 -4,-0.8 10,-0.3 0.725 135.2 17.2-103.8 -23.6 31.8 -9.5 52.7 398 192 B I H < S+ 0 0 0 -4,-2.3 -3,-0.2 9,-0.1 -2,-0.2 0.304 97.0 118.2-129.1 6.9 31.0 -9.3 49.0 399 193 B G S >< S- 0 0 1 -4,-2.3 3,-1.5 -5,-0.5 9,-0.1 0.056 82.6 -93.0 -67.5 178.1 32.7 -6.1 48.0 400 194 B E T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -116,-0.1 -4,-0.0 0.928 129.2 38.2 -58.2 -46.9 35.5 -5.5 45.5 401 195 B H T 3 S+ 0 0 147 -6,-0.1 -1,-0.3 3,-0.0 2,-0.2 -0.034 84.7 150.5 -95.3 28.2 38.1 -5.8 48.3 402 196 B A < - 0 0 17 -3,-1.5 -5,-0.1 1,-0.1 -6,-0.1 -0.449 43.6-140.4 -64.5 129.2 36.2 -8.6 50.0 403 197 B V S S+ 0 0 94 -7,-0.6 -1,-0.1 -2,-0.2 -6,-0.1 0.980 82.8 32.9 -52.8 -80.2 38.7 -10.8 51.8 404 198 B S > - 0 0 46 -3,-0.1 2,-0.9 1,-0.0 3,-0.6 -0.700 69.2-152.5 -90.3 123.9 37.2 -14.3 51.2 405 199 B P T 3 + 0 0 58 0, 0.0 -7,-0.1 0, 0.0 -8,-0.0 -0.802 64.8 98.4 -93.8 101.5 35.4 -15.0 47.9 406 200 B D T 3> S+ 0 0 36 -2,-0.9 4,-1.5 -161,-0.0 -162,-0.3 0.285 83.4 48.5-150.1 -35.5 32.9 -17.8 48.8 407 201 B L H <> S+ 0 0 0 -3,-0.6 4,-2.5 -10,-0.3 5,-0.3 0.927 109.6 54.9 -75.8 -47.9 29.8 -15.7 49.3 408 202 B K H > S+ 0 0 24 -11,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.888 108.4 50.4 -51.3 -40.8 30.6 -14.0 46.0 409 203 B R H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 108.5 50.2 -66.6 -41.6 30.6 -17.4 44.4 410 204 B C H X S+ 0 0 29 -4,-1.5 4,-2.8 2,-0.2 3,-0.4 0.961 109.9 50.0 -61.0 -51.5 27.3 -18.5 45.9 411 205 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.899 111.0 50.7 -53.0 -43.2 25.5 -15.4 44.7 412 206 B A H < S+ 0 0 3 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.836 114.1 44.9 -64.7 -33.6 27.0 -15.9 41.2 413 207 B A H < S+ 0 0 62 -4,-1.8 4,-0.4 -3,-0.4 -2,-0.2 0.907 120.0 34.6 -77.5 -43.9 25.8 -19.5 41.2 414 208 B R H X S+ 0 0 28 -4,-2.8 4,-1.2 -172,-0.3 3,-0.2 0.771 105.2 64.7 -89.3 -28.8 22.2 -19.2 42.5 415 209 B L H X S+ 0 0 1 -4,-1.9 4,-2.9 -5,-0.4 5,-0.3 0.889 91.3 65.0 -67.2 -38.3 21.0 -15.8 41.1 416 210 B P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -142,-0.2 0.914 101.2 50.2 -51.5 -45.6 21.1 -16.8 37.4 417 211 B A H 4 S+ 0 0 68 -4,-0.4 -2,-0.2 -3,-0.2 -3,-0.1 0.951 114.7 44.7 -56.7 -50.2 18.4 -19.4 37.9 418 212 B L H >< S+ 0 0 13 -4,-1.2 3,-0.7 1,-0.2 -1,-0.2 0.901 114.4 46.2 -60.1 -49.0 16.2 -16.8 39.7 419 213 B L H 3< S+ 0 0 1 -4,-2.9 2,-1.0 1,-0.2 -1,-0.2 0.885 100.1 67.6 -63.5 -42.8 16.7 -13.9 37.2 420 214 B N T 3< 0 0 80 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.037 360.0 360.0 -72.2 33.2 16.2 -16.0 34.1 421 215 B E < 0 0 163 -2,-1.0 -152,-0.0 -3,-0.7 -3,-0.0 -0.874 360.0 360.0-147.0 360.0 12.5 -16.5 35.0