==== 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 LYASE 22-MAR-07 2P8G . COMPND 2 MOLECULE: PHENOLIC ACID DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 1 2 3 1 1 0 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 0 0 0 0 0 0 0 1 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 0 A G >> 0 0 34 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 179.6 -0.8 107.5 104.9 2 1 A X H 3> + 0 0 60 1,-0.2 4,-2.8 2,-0.2 57,-0.0 0.885 360.0 57.2 -58.8 -39.3 2.2 108.8 102.8 3 2 A E H 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.846 110.1 45.6 -58.9 -32.1 4.2 109.1 106.0 4 3 A N H <4 S+ 0 0 119 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.845 112.1 51.0 -80.1 -33.3 3.5 105.5 106.6 5 4 A F H >< S+ 0 0 4 -4,-2.2 3,-2.3 2,-0.1 19,-0.2 0.948 93.6 79.4 -71.4 -45.9 4.3 104.4 103.1 6 5 A I T 3< S+ 0 0 16 -4,-2.8 132,-0.2 1,-0.3 19,-0.1 -0.422 96.5 31.8 -63.7 135.2 7.7 106.2 102.9 7 6 A G T 3 S+ 0 0 0 17,-2.7 130,-2.8 1,-0.3 -1,-0.3 0.238 85.0 147.6 96.7 -9.6 10.2 104.0 104.7 8 7 A S E < -A 136 0A 8 -3,-2.3 16,-2.8 128,-0.2 2,-0.5 -0.416 31.4-164.5 -64.8 130.5 8.5 100.8 103.7 9 8 A H E +AB 135 23A 10 126,-2.6 126,-2.1 14,-0.2 2,-0.3 -0.977 23.0 176.5-113.1 116.4 10.8 97.8 103.2 10 9 A X E -AB 134 22A 3 12,-2.7 12,-2.3 -2,-0.5 2,-0.4 -0.900 32.1-160.0-124.9 150.6 8.9 95.1 101.3 11 10 A I E -AB 133 21A 0 122,-1.7 121,-2.0 -2,-0.3 122,-1.4 -0.989 20.5-169.0-113.5 136.7 9.3 91.8 99.7 12 11 A Y E -AB 131 20A 12 8,-2.7 8,-2.6 -2,-0.4 2,-0.5 -0.961 7.0-149.5-125.7 148.6 6.6 90.9 97.2 13 12 A T E -AB 130 19A 29 117,-2.7 117,-2.4 -2,-0.4 6,-0.2 -0.962 5.2-144.6-126.3 123.8 6.1 87.4 95.8 14 13 A Y > - 0 0 18 4,-2.5 3,-2.5 -2,-0.5 115,-0.1 -0.313 37.0 -98.4 -81.0 167.4 4.8 86.6 92.3 15 14 A E T 3 S+ 0 0 192 113,-0.4 -1,-0.1 1,-0.3 114,-0.1 0.829 125.7 55.5 -57.1 -32.8 2.6 83.6 91.6 16 15 A N T 3 S- 0 0 89 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.377 122.5-106.8 -81.9 5.4 5.7 81.7 90.4 17 16 A G < + 0 0 39 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.339 67.3 151.1 87.4 -3.3 7.4 82.4 93.7 18 17 A W - 0 0 89 -5,-0.1 -4,-2.5 1,-0.1 2,-0.5 -0.405 34.7-145.8 -64.9 139.7 9.8 85.0 92.5 19 18 A E E -B 13 0A 35 -6,-0.2 16,-2.2 -2,-0.1 17,-0.6 -0.920 16.8-176.8-115.2 122.8 10.7 87.4 95.3 20 19 A Y E -BC 12 34A 23 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.4 -0.927 10.3-155.0-116.4 142.3 11.4 91.1 94.6 21 20 A E E +BC 11 33A 2 12,-2.5 12,-2.5 -2,-0.4 2,-0.3 -0.947 13.2 177.0-123.8 137.0 12.5 93.5 97.4 22 21 A I E -BC 10 32A 0 -12,-2.3 -12,-2.7 -2,-0.4 2,-0.4 -0.980 15.6-159.1-138.5 149.2 12.0 97.2 97.5 23 22 A Y E -BC 9 31A 0 8,-2.7 8,-2.0 -2,-0.3 2,-1.5 -0.981 13.2-148.7-131.2 120.0 12.8 100.0 100.0 24 23 A I E + C 0 30A 0 -16,-2.8 -17,-2.7 -2,-0.4 6,-0.2 -0.712 26.3 177.3 -86.1 86.5 10.9 103.3 99.7 25 24 A K E - 0 0 1 -2,-1.5 115,-2.6 4,-0.9 2,-0.3 0.829 57.6 -20.3 -74.2 -35.5 13.9 105.2 101.1 26 25 A N E > S- C 0 29A 22 3,-1.7 3,-1.2 113,-0.2 -19,-0.1 -0.911 85.4 -72.9-156.9-173.3 12.4 108.6 100.8 27 26 A D T 3 S+ 0 0 107 -2,-0.3 24,-0.5 1,-0.3 3,-0.1 0.528 130.5 22.9 -73.3 1.9 9.7 110.5 99.0 28 27 A H T 3 S+ 0 0 77 1,-0.1 21,-2.2 22,-0.1 2,-0.3 0.202 113.9 69.8-144.8 18.7 11.7 110.4 95.7 29 28 A T E < -CD 26 48A 11 -3,-1.2 -3,-1.7 19,-0.3 -4,-0.9 -0.999 46.7-178.8-144.6 139.2 14.1 107.5 96.0 30 29 A I E -CD 24 47A 0 17,-2.2 17,-2.5 -2,-0.3 2,-0.3 -0.936 13.0-157.2-126.3 159.1 14.1 103.7 96.2 31 30 A D E -C 23 0A 0 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.3 -0.935 23.4-175.8-115.8 152.9 16.6 101.0 96.5 32 31 A Y E -CD 22 44A 19 12,-2.5 12,-2.5 -2,-0.3 2,-0.3 -0.977 16.5-167.8-150.0 163.4 15.7 97.5 95.2 33 32 A R E -CD 21 43A 1 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.5 -0.969 12.9-146.9-155.9 127.9 17.0 94.0 95.1 34 33 A I E +C 20 0A 10 8,-2.8 7,-3.0 -2,-0.3 -14,-0.2 -0.894 14.2 178.7-110.4 123.1 15.8 91.0 93.1 35 34 A H + 0 0 33 -16,-2.2 2,-0.3 -2,-0.5 -15,-0.2 0.588 61.7 27.7 -97.8 -13.9 16.1 87.6 94.5 36 35 A S S S+ 0 0 25 -17,-0.6 3,-0.5 3,-0.0 -1,-0.1 -0.971 89.5 14.4-146.8 155.6 14.6 85.3 91.9 37 36 A G S > S- 0 0 30 -2,-0.3 3,-2.0 1,-0.2 -3,-0.0 -0.361 102.9 -3.4 89.8-157.0 14.0 85.0 88.2 38 37 A X T 3 S+ 0 0 50 1,-0.3 -1,-0.2 -2,-0.1 62,-0.1 0.765 141.1 22.7 -51.3 -40.8 15.2 86.6 85.0 39 38 A V T > S+ 0 0 5 -3,-0.5 3,-2.4 60,-0.1 -1,-0.3 0.004 81.2 161.4-122.8 33.7 17.3 89.2 86.8 40 39 A A T < + 0 0 37 -3,-2.0 -5,-0.2 1,-0.3 3,-0.1 -0.278 67.6 35.1 -51.4 133.4 18.0 87.6 90.1 41 40 A G T 3 S+ 0 0 22 -7,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.124 85.1 128.5 103.0 -20.3 21.0 89.2 91.7 42 41 A R < + 0 0 5 -3,-2.4 -8,-2.8 58,-0.2 -1,-0.4 -0.510 30.6 171.9 -67.7 137.5 20.2 92.7 90.3 43 42 A W E -De 33 102A 27 58,-2.1 60,-2.2 -10,-0.2 2,-0.4 -0.993 12.0-168.0-149.9 151.9 20.2 95.4 92.9 44 43 A V E -D 32 0A 2 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.4 -0.998 2.8-162.2-142.5 134.7 20.0 99.2 92.7 45 44 A R E + 0 0 36 -2,-0.4 -14,-0.2 -14,-0.2 101,-0.0 -0.920 69.4 12.1-116.6 148.4 20.5 102.0 95.1 46 45 A D E S+ 0 0 87 -2,-0.4 2,-0.6 1,-0.2 -15,-0.2 0.828 71.6 172.4 64.7 38.2 19.4 105.6 95.0 47 46 A Q E -D 30 0A 24 -17,-2.5 -17,-2.2 -3,-0.2 2,-0.2 -0.688 31.4-129.5 -79.7 122.1 17.0 105.3 92.1 48 47 A E E +D 29 0A 112 -2,-0.6 2,-0.3 -19,-0.2 16,-0.3 -0.524 38.6 173.6 -70.6 133.9 15.1 108.5 91.6 49 48 A V - 0 0 8 -21,-2.2 2,-0.6 -2,-0.2 14,-0.2 -0.924 37.3-118.7-138.2 159.8 11.3 107.8 91.4 50 49 A N E -F 62 0A 92 12,-2.7 12,-2.2 -2,-0.3 2,-0.5 -0.928 33.5-174.5 -95.0 124.2 8.0 109.4 91.3 51 50 A I E +F 61 0A 17 -2,-0.6 2,-0.3 -24,-0.5 10,-0.2 -0.993 9.6 164.6-121.7 121.3 5.9 108.5 94.3 52 51 A V E -F 60 0A 50 8,-2.1 8,-2.4 -2,-0.5 2,-0.6 -0.964 37.3-127.1-131.4 156.0 2.3 109.6 94.6 53 52 A K E -F 59 0A 86 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.907 20.7-172.5 -95.7 117.8 -0.7 108.7 96.6 54 53 A L E - 0 0 92 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.846 66.0 -38.4 -79.8 -36.1 -3.5 107.9 94.2 55 54 A T E > S-F 58 0A 88 3,-1.1 3,-2.4 0, 0.0 -1,-0.4 -0.922 96.3 -38.4-172.4 176.0 -6.1 107.6 96.9 56 55 A E T 3 S+ 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.284 129.8 4.6 -54.7 125.8 -6.4 106.2 100.4 57 56 A G T 3 S+ 0 0 11 1,-0.1 2,-0.4 21,-0.0 21,-0.3 0.511 109.6 99.9 81.4 6.5 -4.4 103.0 100.6 58 57 A V E < +F 55 0A 34 -3,-2.4 -4,-2.5 18,-0.2 -3,-1.1 -0.963 44.1 176.7-133.4 121.4 -3.0 103.2 97.0 59 58 A Y E -FG 53 75A 5 16,-2.6 16,-2.0 -2,-0.4 2,-0.4 -0.790 14.8-151.4-119.3 157.1 0.5 104.4 96.1 60 59 A K E -FG 52 74A 72 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.4 -0.999 9.3-175.7-132.4 132.2 2.3 104.6 92.8 61 60 A V E +FG 51 73A 0 12,-2.6 12,-3.0 -2,-0.4 2,-0.3 -0.985 16.3 167.5-132.2 119.4 6.1 104.3 92.4 62 61 A S E +FG 50 72A 20 -12,-2.2 -12,-2.7 -2,-0.4 2,-0.3 -0.968 3.1 146.9-141.5 148.7 7.5 104.8 88.9 63 62 A W E - G 0 71A 26 8,-2.3 8,-2.8 -2,-0.3 2,-0.3 -0.989 36.1-116.9-167.7 165.4 10.8 105.4 87.2 64 63 A T E - G 0 70A 84 -16,-0.3 6,-0.2 -2,-0.3 -16,-0.1 -0.888 30.6-139.4-113.0 151.8 13.1 104.9 84.3 65 64 A E > - 0 0 13 4,-2.7 3,-2.0 -2,-0.3 -18,-0.0 -0.673 24.6-111.7-111.2 159.7 16.3 103.0 84.4 66 65 A P T 3 S+ 0 0 26 0, 0.0 48,-0.2 0, 0.0 -1,-0.1 0.757 118.9 57.8 -60.7 -21.5 19.8 103.4 82.9 67 66 A T T 3 S- 0 0 1 2,-0.1 25,-0.1 46,-0.1 3,-0.1 0.606 123.0-105.1 -78.4 -12.9 19.1 100.4 80.8 68 67 A G S < S+ 0 0 26 -3,-2.0 19,-0.0 1,-0.4 2,-0.0 0.168 74.2 141.4 102.5 -15.1 16.0 102.0 79.3 69 68 A T - 0 0 1 -5,-0.1 -4,-2.7 19,-0.1 2,-0.4 -0.361 37.8-153.4 -62.8 137.1 13.6 99.9 81.3 70 69 A D E -GH 64 87A 55 17,-1.9 17,-2.9 -6,-0.2 2,-0.4 -0.921 11.8-169.9-112.3 141.5 10.5 101.8 82.5 71 70 A V E -GH 63 86A 11 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.4 -0.995 14.7-179.9-134.7 133.9 8.7 100.7 85.6 72 71 A S E -GH 62 85A 25 13,-2.4 13,-2.0 -2,-0.4 2,-0.3 -0.924 15.1-179.9-134.8 115.0 5.3 101.7 87.2 73 72 A L E -GH 61 84A 3 -12,-3.0 -12,-2.6 -2,-0.4 2,-0.4 -0.831 13.4-159.8-111.2 147.2 4.3 100.0 90.4 74 73 A N E -GH 60 83A 37 9,-3.1 9,-2.3 -2,-0.3 2,-0.4 -0.991 7.8-160.5-121.8 138.6 1.3 100.4 92.5 75 74 A F E -GH 59 82A 0 -16,-2.0 -16,-2.6 -2,-0.4 7,-0.2 -0.964 12.9-173.0-119.7 139.8 1.2 99.3 96.2 76 75 A X E >>> - H 0 81A 24 5,-2.7 5,-1.5 -2,-0.4 3,-1.1 -0.798 11.5-178.9-126.2 79.9 -2.0 98.6 98.1 77 76 A P G >45S+ 0 0 33 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.838 76.6 53.9 -60.2 -36.4 -0.5 98.2 101.6 78 77 A N G 345S+ 0 0 130 -21,-0.3 -20,-0.1 1,-0.3 -21,-0.0 0.783 115.0 41.3 -70.6 -25.2 -3.7 97.4 103.4 79 78 A E G <45S- 0 0 136 -3,-1.1 -1,-0.3 -22,-0.2 52,-0.1 0.372 106.3-128.1 -99.5 0.2 -4.6 94.6 101.0 80 79 A K T <<5 + 0 0 137 -3,-0.8 51,-2.4 -4,-0.7 2,-0.3 0.871 68.9 117.4 54.1 46.3 -1.0 93.4 100.9 81 80 A R E < -HI 76 130A 88 -5,-1.5 -5,-2.7 49,-0.3 2,-0.3 -0.977 41.4-172.5-141.5 150.1 -0.9 93.5 97.1 82 81 A X E -HI 75 129A 0 47,-2.6 47,-2.3 -2,-0.3 2,-0.4 -0.916 9.3-153.6-132.4 160.9 1.0 95.3 94.5 83 82 A H E -HI 74 128A 48 -9,-2.3 -9,-3.1 -2,-0.3 2,-0.4 -0.996 16.5-177.2-129.5 139.4 0.7 95.6 90.7 84 83 A G E -HI 73 127A 3 43,-2.5 43,-2.6 -2,-0.4 2,-0.4 -0.978 16.7-164.4-131.7 147.6 3.6 96.3 88.4 85 84 A I E -HI 72 126A 44 -13,-2.0 -13,-2.4 -2,-0.4 2,-0.4 -0.999 12.1-169.8-122.7 132.5 4.2 96.9 84.8 86 85 A I E -HI 71 125A 22 39,-1.8 39,-2.7 -2,-0.4 2,-0.7 -0.984 9.9-159.1-120.1 128.6 7.7 96.7 83.5 87 86 A F E -HI 70 124A 72 -17,-2.9 -17,-1.9 -2,-0.4 37,-0.2 -0.897 19.0-170.1-107.7 98.0 8.6 97.8 80.0 88 87 A F E - I 0 123A 17 35,-2.8 35,-2.5 -2,-0.7 -19,-0.1 -0.747 24.2-120.6 -91.3 134.0 11.8 96.2 79.1 89 88 A P >> - 0 0 3 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.387 35.8-109.6 -55.2 149.2 13.9 97.0 76.0 90 89 A K H 3> S+ 0 0 46 29,-2.7 4,-2.0 1,-0.3 3,-0.3 0.878 117.2 60.6 -50.7 -42.0 14.2 93.9 74.0 91 90 A W H 3> S+ 0 0 1 27,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.789 99.2 54.9 -64.0 -28.7 17.9 93.7 74.8 92 91 A V H <4 S+ 0 0 1 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.899 109.8 47.2 -71.4 -35.2 17.2 93.4 78.6 93 92 A H H < S+ 0 0 82 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.860 119.4 39.9 -67.5 -36.0 15.0 90.4 77.9 94 93 A E H < S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.753 130.0 27.9 -86.5 -23.0 17.6 88.8 75.6 95 94 A H S >X S+ 0 0 59 -4,-2.4 3,-1.5 -5,-0.2 4,-0.6 -0.433 71.4 152.3-132.0 52.3 20.6 89.8 77.7 96 95 A P G >4 + 0 0 33 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.833 65.0 66.3 -60.8 -32.8 19.2 89.9 81.2 97 96 A E G >4 S+ 0 0 159 1,-0.3 3,-1.2 2,-0.2 -5,-0.1 0.789 87.5 67.8 -65.5 -22.5 22.5 89.0 82.9 98 97 A I G <4 S+ 0 0 36 -3,-1.5 -1,-0.3 1,-0.3 -6,-0.1 0.917 103.2 47.7 -57.2 -35.9 24.1 92.2 81.8 99 98 A T G << S+ 0 0 3 -3,-1.2 2,-1.2 -4,-0.6 -1,-0.3 0.530 86.8 98.4 -84.2 -4.7 21.6 93.9 84.2 100 99 A V < + 0 0 46 -3,-1.2 2,-0.3 -4,-0.4 -58,-0.2 -0.714 67.1 75.8 -89.8 96.2 22.4 91.5 87.0 101 100 A C S S- 0 0 25 -2,-1.2 -58,-2.1 -62,-0.1 2,-1.2 -0.945 102.1 -66.0-175.4 176.1 24.9 93.5 89.0 102 101 A Y B > -e 43 0A 48 -2,-0.3 3,-1.8 -60,-0.2 4,-0.2 -0.771 54.8-156.4 -77.8 99.7 25.0 96.4 91.4 103 102 A Q G > S+ 0 0 3 -60,-2.2 3,-2.5 -2,-1.2 7,-0.2 0.839 81.1 69.9 -57.9 -33.6 23.8 98.8 88.7 104 103 A N G 3 S+ 0 0 49 -61,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.766 101.9 45.3 -57.1 -27.1 25.3 101.8 90.4 105 104 A D G < S+ 0 0 117 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.342 115.1 48.1 -98.3 8.8 28.8 100.6 89.6 106 105 A H <> + 0 0 80 -3,-2.5 4,-2.0 -4,-0.2 -1,-0.2 -0.054 63.3 126.8-139.2 34.3 28.0 99.6 86.0 107 106 A I H > S+ 0 0 53 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.902 75.4 55.7 -62.4 -41.0 26.2 102.6 84.5 108 107 A D H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 107.1 50.1 -62.2 -35.1 28.6 102.8 81.6 109 108 A L H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 109.3 51.3 -69.0 -38.9 27.9 99.1 80.8 110 109 A X H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.920 113.2 45.5 -62.9 -41.4 24.1 99.8 80.9 111 110 A K H X S+ 0 0 96 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.881 112.2 50.0 -71.4 -38.1 24.6 102.7 78.6 112 111 A E H >X S+ 0 0 115 -4,-2.6 4,-2.1 -5,-0.2 3,-0.6 0.944 113.6 47.3 -61.3 -44.8 26.8 100.8 76.2 113 112 A S H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 105.5 56.4 -68.0 -38.8 24.4 98.0 76.1 114 113 A R H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.704 115.8 39.3 -68.8 -19.9 21.3 100.1 75.5 115 114 A E H << S+ 0 0 152 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.736 115.8 50.7 -94.2 -30.7 23.0 101.6 72.4 116 115 A K H < S+ 0 0 134 -4,-2.1 -2,-0.2 -5,-0.2 2,-0.2 0.841 108.9 49.4 -74.8 -38.9 24.6 98.3 71.2 117 116 A Y S < S- 0 0 66 -4,-2.3 2,-0.1 -5,-0.2 -26,-0.1 -0.512 94.5 -83.4-107.0 169.6 21.6 96.1 71.2 118 117 A E - 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