==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-FEB-12 4DOL . COMPND 2 MOLECULE: AT1G53520; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.P.NOEL,G.V.LOUIE,M.E.BOWMAN . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 70.0 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 . 51 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 1 0 0 2 0 2 0 0 0 0 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 . 1 1 1 1 0 1 2 0 0 1 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 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 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 11 A E 0 0 186 0, 0.0 3,-0.1 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0-154.4 10.5 9.4 8.7 2 12 A D + 0 0 104 1,-0.1 13,-3.0 13,-0.1 14,-0.5 0.653 360.0 46.8 -93.6 -22.0 8.9 6.5 6.8 3 13 A Y E -A 14 0A 107 11,-0.3 2,-0.3 12,-0.1 11,-0.2 -0.908 67.5-150.7-124.9 150.1 10.7 7.5 3.6 4 14 A A E -A 13 0A 11 9,-3.1 9,-2.8 -2,-0.3 2,-0.5 -0.833 18.4-133.7-113.1 154.1 14.3 8.4 2.7 5 15 A E E -A 12 0A 105 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.936 9.2-132.4-116.4 131.2 15.2 10.8 -0.1 6 16 A E > - 0 0 6 5,-2.6 4,-3.0 -2,-0.5 5,-0.3 -0.710 23.3-140.4 -80.0 114.2 17.9 10.2 -2.7 7 17 A T T 4 S+ 0 0 126 -2,-0.8 -1,-0.2 1,-0.2 25,-0.0 0.858 90.8 41.7 -37.9 -64.3 19.8 13.5 -2.8 8 18 A A T 4 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.1 36,-0.1 0.860 129.7 23.5 -60.5 -43.4 20.5 13.8 -6.5 9 19 A T T 4 S- 0 0 28 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.579 91.1-133.4-102.0 -13.5 17.2 12.7 -8.0 10 20 A S < + 0 0 55 -4,-3.0 2,-0.2 1,-0.3 -3,-0.1 0.551 50.5 155.5 70.2 8.0 14.9 13.4 -5.0 11 21 A V - 0 0 27 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.3 -0.484 39.1-130.6 -68.4 132.9 13.4 9.9 -5.5 12 22 A K E -A 5 0A 114 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.681 19.6-166.9 -90.8 139.5 11.8 8.6 -2.3 13 23 A F E -A 4 0A 0 -9,-2.8 -9,-3.1 -2,-0.3 2,-0.1 -0.990 24.6-122.2-125.6 124.8 12.6 5.1 -0.9 14 24 A K E -A 3 0A 77 -2,-0.4 -11,-0.3 -11,-0.2 3,-0.1 -0.452 15.7-139.3 -66.2 135.4 10.5 3.6 1.9 15 25 A R S S+ 0 0 113 -13,-3.0 13,-2.7 1,-0.2 2,-0.4 0.789 90.6 31.6 -67.4 -29.7 12.7 2.7 4.9 16 26 A S E S+B 27 0B 52 -14,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.997 79.1 173.6-131.5 128.3 10.9 -0.5 5.5 17 27 A V E -B 26 0B 9 9,-2.4 9,-2.9 -2,-0.4 2,-0.6 -0.963 32.1-137.5-139.3 154.2 9.3 -2.5 2.7 18 28 A T - 0 0 102 -2,-0.3 5,-0.1 7,-0.2 6,-0.0 -0.945 33.4-165.7-106.4 122.3 7.5 -5.8 1.9 19 29 A L > - 0 0 5 -2,-0.6 3,-2.2 5,-0.3 146,-0.1 -0.823 29.9 -83.9-114.4 153.0 8.9 -7.2 -1.4 20 30 A P T 3 S+ 0 0 14 0, 0.0 146,-0.1 0, 0.0 3,-0.1 -0.216 113.0 5.1 -52.4 129.7 7.6 -9.9 -3.8 21 31 A G T 3 S+ 0 0 56 1,-0.2 2,-0.5 2,-0.1 145,-0.0 0.440 101.1 119.9 76.3 -1.0 8.7 -13.4 -2.6 22 32 A C < - 0 0 11 -3,-2.2 -1,-0.2 1,-0.2 -3,-0.1 -0.869 50.2-158.1-103.1 127.0 10.3 -12.1 0.6 23 33 A S S S+ 0 0 109 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.975 76.2 39.6 -63.3 -59.2 8.9 -13.4 3.9 24 34 A S S S- 0 0 47 1,-0.1 -5,-0.3 -6,-0.0 -7,-0.0 -0.582 93.9 -99.0 -95.2 155.1 10.1 -10.6 6.2 25 35 A P - 0 0 60 0, 0.0 29,-0.4 0, 0.0 2,-0.3 -0.349 39.2-133.2 -67.2 153.5 10.1 -6.9 5.5 26 36 A L E -B 17 0B 0 -9,-2.9 -9,-2.4 27,-0.1 2,-0.4 -0.839 8.9-133.4-111.3 150.3 13.5 -5.4 4.5 27 37 A S E -BC 16 52B 27 25,-2.8 25,-2.4 -2,-0.3 2,-0.2 -0.843 24.8-110.3-105.6 139.0 15.2 -2.3 5.8 28 38 A L E + C 0 51B 27 -13,-2.7 23,-0.3 -2,-0.4 3,-0.1 -0.465 34.1 175.7 -66.5 126.4 16.8 0.4 3.6 29 39 A L E - 0 0 10 21,-3.4 172,-0.3 1,-0.4 2,-0.3 0.642 60.4 -18.2-106.1 -23.0 20.5 0.3 3.9 30 40 A G E - C 0 50B 4 20,-1.2 20,-2.6 171,-0.1 -1,-0.4 -0.964 49.5-148.4-177.1 160.2 21.5 2.9 1.3 31 41 A T E + C 0 49B 23 -2,-0.3 2,-0.3 18,-0.2 166,-0.3 -0.923 24.0 144.8-136.0 161.5 20.5 5.0 -1.7 32 42 A G E - C 0 48B 0 16,-1.8 16,-2.8 -2,-0.3 2,-0.3 -0.971 34.5-109.3-175.6-178.8 22.3 6.5 -4.6 33 43 A F E - C 0 47B 36 -2,-0.3 2,-0.5 14,-0.2 160,-0.4 -0.900 13.8-139.8-130.4 160.0 22.1 7.4 -8.3 34 44 A R E - C 0 46B 44 12,-2.5 11,-3.1 -2,-0.3 12,-1.4 -0.986 22.4-176.5-121.3 123.3 23.6 6.1 -11.5 35 45 A E E - C 0 44B 99 -2,-0.5 2,-0.3 155,-0.4 9,-0.2 -0.895 2.0-176.5-119.5 151.7 24.7 8.5 -14.2 36 46 A K E - C 0 43B 47 7,-2.5 7,-2.5 -2,-0.3 2,-0.8 -0.996 24.9-131.8-147.0 146.0 26.1 7.9 -17.6 37 47 A K E + C 0 42B 136 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.885 30.2 164.4-101.1 109.3 27.4 10.0 -20.5 38 48 A F S S- 0 0 96 -2,-0.8 -1,-0.2 3,-0.5 4,-0.1 0.744 78.2 -7.3 -91.9 -29.3 25.8 8.9 -23.7 39 49 A A S S- 0 0 79 2,-0.5 3,-0.1 0, 0.0 -2,-0.1 0.389 124.0 -28.8-128.2 -96.4 26.9 12.0 -25.6 40 50 A I S S+ 0 0 138 1,-0.2 2,-0.3 2,-0.0 -3,-0.1 0.843 118.8 33.6-102.3 -46.9 28.5 15.1 -24.2 41 51 A I S S- 0 0 123 -5,-0.1 -3,-0.5 1,-0.0 -2,-0.5 -0.873 84.5-107.9-115.5 147.8 27.4 15.5 -20.6 42 52 A G E -C 37 0B 34 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.440 36.6-162.4 -70.7 145.1 26.6 12.8 -18.0 43 53 A V E -C 36 0B 35 -7,-2.5 -7,-2.5 -2,-0.1 2,-0.4 -0.945 24.5-106.7-129.8 152.0 23.0 12.4 -17.2 44 54 A K E +C 35 0B 91 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.630 34.1 176.4 -77.3 127.2 21.2 10.7 -14.3 45 55 A V E - 0 0 11 -11,-3.1 50,-2.5 -2,-0.4 51,-0.6 0.816 58.4 -13.1-100.0 -41.8 19.6 7.4 -15.4 46 56 A Y E -CD 34 94B 28 -12,-1.4 -12,-2.5 48,-0.3 -1,-0.3 -0.992 50.7-126.0-159.1 163.5 18.2 6.1 -12.2 47 57 A A E -CD 33 93B 0 46,-2.5 46,-2.9 -2,-0.3 2,-0.4 -0.820 30.9-161.6-106.9 150.9 17.9 6.2 -8.5 48 58 A A E -CD 32 92B 0 -16,-2.8 -16,-1.8 -2,-0.3 2,-0.4 -0.998 13.3-167.7-140.9 143.6 18.6 3.0 -6.5 49 59 A G E -CD 31 91B 0 42,-2.3 42,-3.2 -2,-0.4 2,-0.5 -0.998 12.7-149.6-130.0 130.3 17.9 1.8 -3.0 50 60 A Y E -CD 30 90B 1 -20,-2.6 -21,-3.4 -2,-0.4 -20,-1.2 -0.886 16.6-169.2-104.2 129.2 19.5 -1.3 -1.4 51 61 A Y E -CD 28 89B 0 38,-3.6 38,-2.5 -2,-0.5 2,-0.3 -0.874 5.9-176.4-118.0 148.4 17.5 -3.2 1.2 52 62 A V E -CD 27 88B 4 -25,-2.4 -25,-2.8 -2,-0.3 2,-0.4 -0.988 35.2-107.2-142.9 150.4 18.4 -6.0 3.6 53 63 A N > - 0 0 23 34,-2.2 3,-2.4 -2,-0.3 4,-0.3 -0.639 35.9-127.8 -72.4 129.2 16.7 -8.3 6.1 54 64 A E G > S+ 0 0 124 -29,-0.4 3,-1.5 -2,-0.4 4,-0.4 0.707 101.2 79.8 -54.6 -16.9 17.9 -6.9 9.4 55 65 A S G 3> S+ 0 0 66 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.685 80.0 66.3 -64.8 -19.1 18.9 -10.5 10.3 56 66 A I G <4 S+ 0 0 5 -3,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.689 82.0 77.9 -77.5 -16.5 22.1 -10.1 8.3 57 67 A L T X4 S+ 0 0 39 -3,-1.5 3,-1.8 -4,-0.3 -1,-0.2 0.891 88.4 55.1 -59.5 -41.5 23.5 -7.5 10.7 58 68 A S G >4 S+ 0 0 93 -3,-0.4 3,-1.7 -4,-0.4 -1,-0.2 0.883 101.1 60.2 -59.9 -37.7 24.4 -10.1 13.3 59 69 A G G 3< S+ 0 0 54 -4,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.536 100.4 56.3 -68.6 -4.9 26.5 -11.9 10.7 60 70 A L G X + 0 0 1 -3,-1.8 3,-2.2 -4,-0.3 -1,-0.3 0.175 67.3 117.9-110.9 16.4 28.6 -8.8 10.2 61 71 A S G X + 0 0 77 -3,-1.7 3,-1.6 1,-0.3 -1,-0.1 0.686 60.4 74.8 -57.9 -20.1 29.7 -8.5 13.8 62 72 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.781 97.5 49.1 -64.2 -24.1 33.3 -9.0 12.8 63 73 A W G X S+ 0 0 35 -3,-2.2 3,-1.4 14,-0.1 -1,-0.3 0.205 80.0 140.8-100.0 14.5 33.2 -5.4 11.4 64 74 A T T < + 0 0 77 -3,-1.6 143,-0.2 1,-0.2 139,-0.1 -0.266 67.5 18.7 -59.1 140.8 31.7 -3.8 14.5 65 75 A G T 3 S+ 0 0 65 141,-3.5 -1,-0.2 1,-0.2 2,-0.2 0.555 90.1 135.4 77.8 8.6 33.1 -0.4 15.4 66 76 A R < - 0 0 109 -3,-1.4 -1,-0.2 140,-0.3 140,-0.1 -0.594 54.1-111.7 -91.5 154.0 34.7 0.4 12.0 67 77 A S > - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.277 27.1-108.3 -77.0 166.3 34.4 3.7 10.2 68 78 A A H > S+ 0 0 19 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.885 120.8 49.6 -61.0 -41.1 32.5 4.3 6.9 69 79 A D H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 110.4 49.1 -67.3 -38.7 35.7 4.6 5.0 70 80 A E H 4 S+ 0 0 87 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.908 115.3 45.4 -65.8 -41.5 37.2 1.4 6.4 71 81 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.919 109.7 54.8 -67.5 -44.8 33.9 -0.4 5.6 72 82 A Q H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.1 43.7 -58.0 -41.5 33.7 1.1 2.1 73 83 A R T 3< S+ 0 0 179 -4,-1.8 2,-0.9 -5,-0.1 -1,-0.3 0.424 91.0 99.5 -86.7 3.5 37.2 -0.1 1.1 74 84 A D X> - 0 0 33 -3,-1.3 4,-1.3 -4,-0.3 3,-0.7 -0.776 47.6-175.5 -96.5 102.1 36.8 -3.6 2.6 75 85 A S H 3> S+ 0 0 63 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.843 82.3 61.4 -61.7 -35.2 35.9 -6.1 -0.2 76 86 A S H 3> S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.815 100.0 54.8 -62.8 -32.2 35.4 -8.9 2.4 77 87 A L H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.945 110.3 44.4 -67.5 -47.3 32.6 -7.0 4.1 78 88 A F H X S+ 0 0 4 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.881 112.2 52.3 -66.1 -35.6 30.6 -6.6 0.9 79 89 A V H X S+ 0 0 66 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.919 107.9 53.2 -64.6 -39.5 31.2 -10.2 0.0 80 90 A S H X S+ 0 0 30 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.836 106.2 52.4 -63.4 -32.5 29.9 -11.1 3.5 81 91 A I H >< S+ 0 0 2 -4,-1.6 3,-0.5 2,-0.2 -1,-0.2 0.933 110.8 47.8 -66.8 -45.1 26.8 -9.1 2.8 82 92 A F H 3< S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 114.0 47.0 -61.5 -39.9 26.3 -11.1 -0.4 83 93 A Q H 3< S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.616 82.8 121.9 -79.9 -14.0 26.9 -14.4 1.3 84 94 A A S << S- 0 0 12 -4,-1.0 2,-1.4 -3,-0.5 -28,-0.1 -0.202 71.5-123.1 -52.7 137.3 24.6 -13.7 4.3 85 95 A Q S S+ 0 0 180 -30,-0.1 2,-0.3 65,-0.1 -1,-0.2 -0.140 83.0 81.4 -78.5 43.2 21.8 -16.3 4.6 86 96 A A S S- 0 0 10 -2,-1.4 2,-0.2 -33,-0.0 -32,-0.0 -0.857 85.5 -83.0-139.1 174.5 19.1 -13.7 4.3 87 97 A E + 0 0 26 -2,-0.3 -34,-2.2 60,-0.0 2,-0.3 -0.545 40.3 173.4 -85.3 143.9 17.2 -11.7 1.7 88 98 A K E -DE 52 148B 2 60,-1.8 60,-2.7 -36,-0.2 2,-0.3 -0.965 6.9-170.7-141.5 155.9 18.5 -8.5 0.1 89 99 A S E -DE 51 147B 0 -38,-2.5 -38,-3.6 -2,-0.3 2,-0.5 -0.998 18.6-144.8-153.9 147.2 17.1 -6.4 -2.7 90 100 A L E -DE 50 146B 0 56,-2.5 56,-2.3 -2,-0.3 2,-0.6 -0.955 14.3-158.6-112.3 126.7 18.0 -3.5 -5.0 91 101 A Q E -DE 49 145B 18 -42,-3.2 -42,-2.3 -2,-0.5 2,-0.5 -0.934 9.7-167.9-106.4 116.9 15.1 -1.2 -6.0 92 102 A I E -DE 48 144B 11 52,-2.9 52,-2.7 -2,-0.6 2,-0.5 -0.910 3.9-169.2-107.8 129.6 15.9 0.8 -9.2 93 103 A V E -DE 47 143B 18 -46,-2.9 -46,-2.5 -2,-0.5 50,-0.2 -0.969 19.7-134.0-120.7 115.1 13.7 3.7 -10.2 94 104 A L E -D 46 0B 10 48,-2.7 47,-2.4 -2,-0.5 -48,-0.3 -0.448 18.2-173.9 -69.5 136.7 14.3 5.1 -13.7 95 105 A V S S+ 0 0 33 -50,-2.5 2,-0.3 45,-0.2 -49,-0.2 0.200 73.5 27.1-112.7 11.3 14.4 8.9 -13.9 96 106 A R S S- 0 0 98 -51,-0.6 -1,-0.1 43,-0.1 46,-0.1 -0.965 96.3 -83.4-162.7 157.9 14.6 9.0 -17.7 97 107 A D - 0 0 101 -2,-0.3 2,-0.5 42,-0.1 42,-0.2 -0.422 37.7-160.6 -68.0 143.9 13.4 6.8 -20.6 98 108 A V B -H 138 0C 18 40,-2.7 40,-0.8 -2,-0.1 2,-0.1 -0.986 8.4-150.6-127.8 118.6 15.8 4.0 -21.5 99 109 A D > - 0 0 70 -2,-0.5 4,-2.2 38,-0.1 5,-0.2 -0.298 30.1 -96.4 -84.0 173.3 15.4 2.4 -24.9 100 110 A G H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.923 119.4 46.0 -54.0 -55.8 16.1 -1.2 -25.9 101 111 A K H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 112.3 52.6 -58.9 -39.2 19.7 -0.8 -27.3 102 112 A T H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.932 111.9 46.7 -61.9 -45.4 20.7 1.3 -24.3 103 113 A F H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 114.0 45.0 -63.0 -51.1 19.4 -1.4 -22.0 104 114 A W H X S+ 0 0 87 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.896 111.8 53.9 -62.6 -38.5 21.0 -4.3 -23.7 105 115 A D H X S+ 0 0 99 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.930 111.2 45.0 -59.9 -46.0 24.3 -2.4 -24.1 106 116 A A H X S+ 0 0 36 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.895 113.7 49.2 -65.7 -40.9 24.4 -1.8 -20.3 107 117 A L H X S+ 0 0 26 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.904 113.4 46.8 -66.1 -40.8 23.4 -5.3 -19.4 108 118 A D H X S+ 0 0 99 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.922 111.3 51.0 -66.6 -44.0 26.1 -6.8 -21.8 109 119 A E H < S+ 0 0 121 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.816 116.0 43.2 -63.4 -30.1 28.7 -4.4 -20.4 110 120 A A H < S+ 0 0 17 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.906 124.4 30.7 -82.3 -43.5 27.8 -5.4 -16.9 111 121 A I H >X S+ 0 0 13 -4,-2.8 4,-1.5 -5,-0.2 3,-1.0 0.924 109.3 60.8 -83.4 -49.9 27.5 -9.2 -17.4 112 122 A S T 3< S+ 0 0 47 -4,-1.9 3,-0.4 -5,-0.3 -3,-0.1 0.865 104.3 48.1 -49.5 -49.8 30.0 -10.1 -20.1 113 123 A P T 34 S+ 0 0 73 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.758 115.8 47.3 -65.7 -22.5 33.2 -9.0 -18.5 114 124 A R T <4 S+ 0 0 81 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.2 0.650 117.7 38.3 -92.9 -19.1 32.1 -10.8 -15.3 115 125 A I < + 0 0 12 -4,-1.5 -1,-0.2 -3,-0.4 -4,-0.0 -0.680 64.3 168.1-133.0 77.1 31.1 -14.1 -16.9 116 126 A K S S+ 0 0 163 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.857 80.5 26.3 -58.6 -40.0 33.6 -14.8 -19.7 117 127 A S S S- 0 0 110 -3,-0.1 -1,-0.3 0, 0.0 -5,-0.0 -0.740 84.8-155.7-129.7 83.8 32.5 -18.4 -20.1 118 128 A P - 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0 0 25 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.305 25.6-137.2 -60.6 137.7 30.4 0.2 -8.7 190 200 A V S S+ 0 0 36 -7,-2.1 -155,-0.4 1,-0.3 -6,-0.1 0.773 103.9 40.1 -66.4 -24.3 28.1 1.7 -11.4 191 201 A S > + 0 0 0 -8,-0.3 4,-1.8 -7,-0.2 -1,-0.3 -0.818 65.5 177.6-126.3 89.8 26.8 3.8 -8.6 192 202 A P H > S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.861 84.5 57.8 -58.8 -34.1 29.6 5.0 -6.3 193 203 A T H > S+ 0 0 52 -160,-0.4 4,-2.4 2,-0.2 -162,-0.2 0.911 103.9 50.6 -64.0 -42.5 27.0 7.0 -4.3 194 204 A L H > S+ 0 0 0 -161,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.932 111.7 47.4 -61.4 -45.8 25.0 3.9 -3.5 195 205 A K H X S+ 0 0 13 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 113.3 47.9 -62.4 -43.3 28.0 2.0 -2.3 196 206 A S H X S+ 0 0 37 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.886 109.7 53.4 -64.5 -38.2 29.1 4.9 -0.1 197 207 A S H X S+ 0 0 34 -4,-2.4 4,-2.4 -166,-0.3 -1,-0.2 0.925 110.6 46.5 -62.3 -45.3 25.6 5.3 1.3 198 208 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.912 111.7 51.8 -63.1 -43.0 25.5 1.7 2.3 199 209 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.922 110.8 47.6 -60.5 -45.0 29.0 1.9 3.8 200 210 A N H X S+ 0 0 80 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.924 112.5 48.4 -62.9 -45.8 28.0 5.0 5.9 201 211 A Q H X S+ 0 0 79 -4,-2.4 4,-2.2 -172,-0.3 -1,-0.2 0.892 109.8 52.4 -62.5 -40.4 24.8 3.3 7.2 202 212 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.854 105.4 55.2 -64.6 -34.7 26.7 0.2 8.1 203 213 A A H < S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.2 -138,-0.2 0.904 111.1 45.0 -64.5 -39.5 29.2 2.2 10.1 204 214 A M H < S+ 0 0 135 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.855 118.8 42.7 -70.9 -35.9 26.3 3.7 12.1 205 215 A T H < S+ 0 0 53 -4,-2.2 2,-0.6 1,-0.2 -2,-0.2 0.853 106.3 58.5 -80.1 -38.2 24.6 0.3 12.5 206 216 A L < 0 0 10 -4,-3.1 -141,-3.5 -5,-0.2 -140,-0.3 -0.164 360.0 360.0 -86.5 42.2 27.6 -1.8 13.4 207 217 A V 0 0 149 -2,-0.6 -3,-0.1 -3,-0.5 -143,-0.1 -0.441 360.0 360.0 -90.3 360.0 28.4 0.3 16.4