==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-JUL-05 2A8E . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YKTB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.P.KUZIN,M.SU,W.YONG,S.VOROBIEV,T.ACTON,R.XIAO,K.CONOVER, . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 67.1 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 . 34 16.2 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 0.5 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 1 1 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 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 1 1 1 1 1 0 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 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 2 A T 0 0 145 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.1 47.7 48.6 16.0 2 3 A Q + 0 0 82 1,-0.2 33,-0.1 2,-0.0 0, 0.0 -0.643 360.0 167.4 -79.7 128.9 44.5 49.6 14.4 3 4 A X + 0 0 13 -2,-0.4 -1,-0.2 32,-0.1 2,-0.1 0.558 41.4 106.9-115.7 -16.2 42.2 51.6 16.7 4 5 A R S S- 0 0 37 1,-0.1 2,-0.2 176,-0.0 180,-0.1 -0.444 76.4-115.2 -66.4 135.4 39.6 52.9 14.3 5 6 A F - 0 0 0 -2,-0.1 2,-0.2 179,-0.1 -1,-0.1 -0.512 31.9-160.3 -74.1 136.4 36.3 51.1 14.7 6 7 A T >> - 0 0 31 -2,-0.2 4,-1.4 22,-0.0 3,-1.2 -0.449 39.3 -83.0-105.9-175.3 35.2 49.0 11.7 7 8 A E H 3> S+ 0 0 112 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.875 126.2 57.8 -57.7 -40.6 31.7 47.7 10.7 8 9 A E H 34 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.730 104.5 55.3 -63.3 -21.5 32.0 44.6 13.0 9 10 A D H X4 S+ 0 0 0 -3,-1.2 3,-0.5 2,-0.2 4,-0.4 0.912 110.7 40.4 -78.0 -46.2 32.5 47.0 15.9 10 11 A F H >< S+ 0 0 0 -4,-1.4 3,-1.4 1,-0.2 -2,-0.2 0.922 113.6 56.2 -68.1 -40.7 29.4 49.1 15.5 11 12 A N G >< S+ 0 0 56 -4,-2.6 3,-1.8 1,-0.3 4,-0.4 0.646 86.0 81.3 -65.4 -15.4 27.4 45.9 14.6 12 13 A T G X S+ 0 0 2 -3,-0.5 3,-1.0 -4,-0.4 -1,-0.3 0.812 83.6 62.6 -59.9 -30.7 28.4 44.3 17.9 13 14 A F G < S+ 0 0 13 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.368 93.5 62.0 -80.3 7.5 25.6 46.3 19.6 14 15 A T G < S+ 0 0 90 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.549 75.5 110.3-104.1 -14.4 22.9 44.6 17.6 15 16 A I S < S- 0 0 63 -3,-1.0 2,-0.3 -4,-0.4 6,-0.1 -0.424 70.9-125.6 -63.1 131.2 23.7 41.1 18.9 16 17 A E + 0 0 171 -2,-0.1 4,-0.2 4,-0.1 -1,-0.1 -0.619 68.3 31.8 -85.0 138.9 20.9 40.0 21.2 17 18 A G S > S- 0 0 39 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.236 77.8-106.3 96.0 140.5 21.6 38.9 24.8 18 19 A L H > S+ 0 0 30 46,-0.2 4,-2.7 2,-0.2 5,-0.2 0.947 117.0 47.3 -63.4 -50.6 24.1 40.0 27.3 19 20 A D H > S+ 0 0 138 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 115.8 43.6 -57.2 -50.3 26.2 36.8 27.1 20 21 A A H > S+ 0 0 42 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.922 116.3 45.9 -64.0 -48.4 26.3 36.8 23.3 21 22 A R H X S+ 0 0 28 -4,-2.2 4,-3.0 1,-0.2 3,-0.2 0.917 111.6 52.8 -63.6 -42.6 27.0 40.5 22.8 22 23 A X H X S+ 0 0 8 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.829 103.8 57.2 -62.3 -32.6 29.7 40.4 25.5 23 24 A E H < S+ 0 0 146 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.900 113.9 38.6 -67.1 -37.5 31.5 37.5 23.8 24 25 A V H >X S+ 0 0 41 -4,-1.4 4,-2.3 -3,-0.2 3,-1.5 0.907 112.6 56.3 -77.4 -42.7 31.8 39.6 20.6 25 26 A L H 3<>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.3 -2,-0.2 0.870 103.0 54.5 -57.9 -39.1 32.5 42.9 22.4 26 27 A K T 3<5S+ 0 0 125 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.644 115.5 43.1 -69.8 -10.6 35.5 41.4 24.2 27 28 A E T <45S+ 0 0 143 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.757 128.6 17.1-104.4 -34.0 36.7 40.5 20.8 28 29 A T T X5S+ 0 0 7 -4,-2.3 4,-0.8 -20,-0.1 -3,-0.2 0.847 129.7 24.7-103.4 -71.0 36.0 43.5 18.6 29 30 A V H >>5S+ 0 0 0 -5,-0.2 4,-1.9 -21,-0.2 3,-0.9 0.946 114.3 55.7 -65.9 -57.2 35.4 46.7 20.6 30 31 A R H 3> S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.873 112.2 45.8 -52.6 -36.4 40.6 45.5 22.5 32 33 A K H S+ 0 0 83 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.938 112.7 54.1 -58.2 -43.9 49.8 60.4 27.9 43 44 A T H X S+ 0 0 39 -4,-0.6 4,-2.7 1,-0.2 -2,-0.2 0.930 109.0 45.6 -54.1 -53.0 48.3 62.9 25.6 44 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 6,-0.4 0.833 110.6 54.9 -63.5 -32.5 45.6 64.0 28.0 45 46 A S H X S+ 0 0 35 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.936 112.3 43.0 -64.0 -46.4 48.2 64.2 30.8 46 47 A A H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.887 117.2 48.1 -65.6 -39.0 50.3 66.5 28.7 47 48 A L H < S+ 0 0 49 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.891 121.6 30.6 -69.4 -44.4 47.2 68.5 27.6 48 49 A T H < S- 0 0 5 -4,-2.8 -2,-0.2 2,-0.3 -3,-0.2 0.705 96.9-124.8 -91.3 -25.2 45.6 69.0 31.0 49 50 A G S < S+ 0 0 59 -4,-2.2 2,-0.3 1,-0.4 -3,-0.1 0.579 79.5 99.8 88.7 8.8 48.6 69.1 33.3 50 51 A D S S- 0 0 35 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.928 85.8 -97.4-125.9 150.8 47.3 66.4 35.5 51 52 A E - 0 0 122 -2,-0.3 2,-0.4 25,-0.1 -10,-0.0 -0.532 43.7-156.4 -68.1 127.3 48.1 62.7 35.4 52 53 A X - 0 0 7 -2,-0.3 24,-0.2 -11,-0.3 -7,-0.1 -0.885 9.7-168.3-111.3 138.4 45.5 60.9 33.3 53 54 A F E -A 75 0A 59 22,-2.4 22,-1.9 -2,-0.4 24,-0.2 -0.983 19.4-123.7-127.7 136.9 44.6 57.2 33.6 54 55 A P E -A 74 0A 34 0, 0.0 2,-0.3 0, 0.0 20,-0.2 -0.477 20.6-172.3 -78.7 146.9 42.5 55.0 31.2 55 56 A H E -A 73 0A 29 18,-2.6 18,-2.8 -2,-0.2 2,-0.3 -0.867 13.6-148.9-141.6 102.5 39.4 53.1 32.4 56 57 A V E -A 72 0A 35 -2,-0.3 16,-0.2 16,-0.3 -26,-0.0 -0.567 35.7-103.2 -72.6 129.5 37.7 50.7 30.0 57 58 A A - 0 0 1 14,-3.4 2,-0.3 -2,-0.3 -1,-0.1 -0.207 31.4-143.2 -56.6 138.7 34.0 50.5 30.7 58 59 A K + 0 0 86 1,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.768 26.0 163.9-102.9 150.0 32.7 47.5 32.5 59 60 A H >> + 0 0 18 -2,-0.3 4,-3.1 3,-0.1 3,-1.5 0.651 65.3 43.9-129.1 -67.7 29.3 45.9 31.7 60 61 A A T 34 S+ 0 0 58 1,-0.3 -2,-0.0 2,-0.2 -41,-0.0 0.807 115.4 52.5 -57.7 -32.2 28.4 42.4 32.9 61 62 A R T 34 S+ 0 0 162 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.600 119.4 34.9 -79.7 -11.8 29.8 43.2 36.4 62 63 A R T <4 S+ 0 0 163 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.715 125.3 16.9-111.9 -32.8 27.7 46.3 36.7 63 64 A S < - 0 0 51 -4,-3.1 -1,-0.3 2,-0.1 -4,-0.0 -0.998 49.4-145.3-146.5 150.5 24.5 45.6 34.9 64 65 A V S S+ 0 0 114 -2,-0.3 -46,-0.2 -3,-0.1 -4,-0.1 0.602 78.8 94.4 -87.9 -11.0 22.5 42.6 33.7 65 66 A N S S- 0 0 111 -6,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.644 88.5-103.3 -85.9 134.6 21.2 44.6 30.7 66 67 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -48,-0.1 -0.277 41.3-114.9 -55.9 130.6 23.1 44.4 27.3 67 68 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -8,-0.0 -0.532 19.5-162.6 -73.8 130.7 25.2 47.5 26.8 68 69 A A S S+ 0 0 46 -2,-0.3 25,-0.5 1,-0.1 2,-0.3 0.522 78.9 14.3 -86.0 -8.0 24.1 49.7 23.9 69 70 A D - 0 0 18 23,-0.2 2,-0.3 24,-0.1 23,-0.2 -0.980 63.6-159.6-159.3 161.0 27.5 51.4 23.9 70 71 A S E + B 0 91A 0 21,-1.5 21,-1.8 -2,-0.3 2,-0.3 -0.951 15.6 168.2-142.9 162.1 31.0 51.0 25.4 71 72 A W E - B 0 90A 21 -2,-0.3 -14,-3.4 19,-0.2 2,-0.4 -0.988 33.0-119.0-166.1 169.4 33.9 53.4 26.0 72 73 A V E -AB 56 89A 0 17,-2.3 17,-1.8 -2,-0.3 2,-0.3 -0.977 32.4-155.9-120.1 130.9 37.2 54.1 27.6 73 74 A A E -AB 55 88A 0 -18,-2.8 -18,-2.6 -2,-0.4 2,-0.4 -0.765 5.2-151.3-109.2 158.2 37.4 56.9 30.1 74 75 A F E +AB 54 87A 0 13,-2.1 13,-1.9 -2,-0.3 2,-0.3 -0.985 26.3 154.9-132.1 120.9 40.3 59.1 31.3 75 76 A A E -A 53 0A 0 -22,-1.9 -22,-2.4 -2,-0.4 2,-1.4 -0.919 55.4-101.0-142.5 166.1 40.5 60.6 34.7 76 77 A N S S+ 0 0 67 9,-0.4 2,-0.3 -2,-0.3 -24,-0.1 -0.193 96.2 80.8 -82.4 46.6 43.0 61.9 37.3 77 78 A S - 0 0 29 -2,-1.4 -2,-0.3 -24,-0.2 -24,-0.2 -0.994 65.3-149.8-152.0 144.6 42.7 58.7 39.3 78 79 A K S S+ 0 0 161 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.648 99.5 43.7 -88.3 -17.2 44.1 55.2 39.1 79 80 A R S S- 0 0 222 1,-0.2 2,-0.3 -24,-0.0 -1,-0.1 0.739 120.7 -16.2-100.0 -26.8 41.0 53.5 40.6 80 81 A G - 0 0 27 1,-0.1 -1,-0.2 2,-0.0 -3,-0.1 -0.964 32.9-155.2-164.3-179.2 38.1 55.2 38.9 81 82 A Y S > S+ 0 0 20 -2,-0.3 3,-1.9 -3,-0.1 -5,-0.1 0.550 70.9 87.9-140.1 -26.7 36.6 58.0 36.9 82 83 A K T 3 S+ 0 0 64 1,-0.3 21,-0.4 20,-0.1 24,-0.2 0.773 91.0 51.1 -52.5 -33.2 32.8 58.4 37.5 83 84 A K T 3 S+ 0 0 113 23,-0.1 25,-0.3 22,-0.1 -1,-0.3 0.486 108.3 59.0 -87.1 -1.1 33.3 60.8 40.5 84 85 A L S < S- 0 0 52 -3,-1.9 2,-0.3 22,-0.1 19,-0.3 -0.790 96.6 -90.1-125.1 164.6 35.6 63.2 38.6 85 86 A P + 0 0 6 0, 0.0 -9,-0.4 0, 0.0 2,-0.2 -0.624 65.1 163.5 -70.7 131.2 35.5 65.3 35.5 86 87 A H E - C 0 101A 0 15,-2.6 15,-4.1 -2,-0.3 2,-0.3 -0.810 36.8-113.5-141.6-177.8 36.8 63.0 32.8 87 88 A F E -BC 74 100A 0 -13,-1.9 -13,-2.1 13,-0.3 2,-0.3 -0.851 26.9-163.5-118.7 156.3 37.1 62.3 29.1 88 89 A Q E -BC 73 99A 2 11,-2.0 11,-2.1 -2,-0.3 2,-0.4 -0.995 16.7-170.7-143.7 149.0 35.6 59.5 27.0 89 90 A I E +BC 72 98A 0 -17,-1.8 -17,-2.3 -2,-0.3 2,-0.3 -0.983 38.2 125.2-135.4 120.2 36.0 57.8 23.7 90 91 A G E -BC 71 97A 0 7,-2.4 7,-2.7 -2,-0.4 2,-0.3 -0.893 38.9-131.8-157.5-170.2 33.3 55.4 22.8 91 92 A L E -BC 70 96A 0 -21,-1.8 -21,-1.5 5,-0.3 5,-0.2 -0.993 3.4-160.8-155.8 154.8 30.6 54.2 20.3 92 93 A W - 0 0 25 3,-2.6 -23,-0.2 -2,-0.3 -79,-0.1 -0.549 56.4 -87.6-117.5-175.0 27.0 53.1 20.0 93 94 A E S S+ 0 0 81 -25,-0.5 3,-0.1 -2,-0.2 -83,-0.1 0.785 128.6 43.2 -71.0 -21.2 25.9 51.2 16.9 94 95 A S S S- 0 0 41 1,-0.2 82,-2.2 82,-0.1 2,-0.3 0.806 120.8 -2.8 -92.0 -34.9 25.3 54.5 15.1 95 96 A H E - D 0 175A 10 80,-0.2 -3,-2.6 81,-0.1 2,-0.4 -0.958 57.1-113.1-154.4 172.3 28.2 56.7 16.0 96 97 A V E -CD 91 174A 0 78,-2.5 78,-2.7 -2,-0.3 2,-0.3 -0.876 33.4-158.7-109.4 140.5 31.5 57.3 17.8 97 98 A F E -CD 90 173A 2 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.922 15.6-165.9-125.9 150.7 31.6 59.9 20.6 98 99 A V E +CD 89 172A 0 74,-1.9 74,-1.8 -2,-0.3 2,-0.3 -0.979 26.6 178.3-132.4 117.1 34.4 61.9 22.3 99 100 A W E -CD 88 171A 11 -11,-2.1 -11,-2.0 -2,-0.4 2,-0.5 -0.809 39.2-153.1-123.9 162.6 33.4 63.6 25.6 100 101 A F E -CD 87 170A 0 70,-1.3 70,-2.0 -2,-0.3 2,-0.4 -0.991 48.5-166.5-121.5 122.5 34.6 65.8 28.4 101 102 A A E +CD 86 169A 0 -15,-4.1 -15,-2.6 -2,-0.5 2,-0.4 -0.922 41.4 179.9-132.9 153.5 32.2 64.6 31.1 102 103 A I E - D 0 168A 0 66,-1.5 66,-2.3 -2,-0.4 2,-0.2 -0.932 30.8-168.7-137.7 103.5 30.7 65.3 34.5 103 104 A I > - 0 0 1 -21,-0.4 3,-3.0 -2,-0.4 63,-0.1 -0.579 38.4 -92.6-100.3 165.9 28.2 62.6 35.3 104 105 A Y T 3 S+ 0 0 128 1,-0.3 5,-0.2 61,-0.2 62,-0.1 0.758 118.9 65.6 -40.0 -38.6 25.6 62.3 38.1 105 106 A E T 3 S+ 0 0 62 -23,-0.1 -1,-0.3 60,-0.1 -22,-0.1 0.674 72.8 108.3 -64.9 -18.1 28.0 60.4 40.3 106 107 A S X - 0 0 2 -3,-3.0 3,-1.1 -24,-0.2 4,-0.1 -0.485 60.3-155.2 -64.6 116.3 30.3 63.5 40.7 107 108 A P T 3 S+ 0 0 111 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.640 90.4 45.2 -68.2 -14.6 29.7 64.7 44.3 108 109 A I T 3> + 0 0 33 -25,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.095 69.2 121.2-122.9 36.7 30.8 68.2 43.4 109 110 A K H <> + 0 0 18 -3,-1.1 4,-1.7 1,-0.2 -1,-0.1 0.680 68.4 67.3 -71.6 -17.7 28.8 68.8 40.2 110 111 A E H > S+ 0 0 99 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 101.6 45.2 -70.8 -38.5 27.0 71.7 41.8 111 112 A E H > S+ 0 0 74 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.929 110.5 52.6 -71.2 -45.8 30.2 73.8 42.0 112 113 A Y H X S+ 0 0 1 -4,-1.4 4,-2.0 1,-0.2 5,-0.2 0.915 108.4 54.0 -54.7 -42.9 31.3 73.0 38.4 113 114 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.908 107.9 46.8 -58.4 -46.9 27.8 74.1 37.3 114 115 A K H X S+ 0 0 112 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.825 113.1 51.3 -65.6 -31.4 28.1 77.5 39.0 115 116 A L H X S+ 0 0 49 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.812 107.7 50.7 -75.7 -31.3 31.6 78.0 37.5 116 117 A L H < S+ 0 0 2 -4,-2.0 3,-0.3 1,-0.2 7,-0.2 0.850 106.9 55.0 -73.9 -33.7 30.4 77.1 34.0 117 118 A E H >< S+ 0 0 57 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.772 106.3 52.1 -69.5 -26.6 27.6 79.6 34.2 118 119 A V H 3< S+ 0 0 116 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.690 115.7 40.2 -82.3 -20.9 30.1 82.3 35.1 119 120 A N T 3X S+ 0 0 51 -4,-0.7 4,-2.3 -3,-0.3 -1,-0.2 -0.012 76.5 124.4-115.0 28.0 32.3 81.5 32.1 120 121 A Q H <> S+ 0 0 18 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.860 72.9 51.6 -57.2 -38.9 29.4 81.0 29.6 121 122 A E H > S+ 0 0 170 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 112.5 45.4 -66.0 -40.5 30.8 83.6 27.2 122 123 A T H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.849 113.5 49.6 -70.0 -36.4 34.2 82.0 27.1 123 124 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 -7,-0.2 -2,-0.2 0.916 112.3 46.8 -68.5 -44.9 32.8 78.5 26.8 124 125 A T H < S+ 0 0 56 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 113.1 51.7 -63.0 -39.0 30.6 79.5 23.9 125 126 A K H < S+ 0 0 169 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.847 116.1 38.0 -66.6 -37.9 33.5 81.3 22.3 126 127 A N H < S+ 0 0 63 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.605 98.6 80.3 -93.6 -13.8 35.9 78.3 22.5 127 128 A I S < S- 0 0 2 -4,-1.7 -1,-0.1 -5,-0.1 71,-0.0 -0.860 84.1-124.4 -97.3 114.0 33.6 75.4 21.7 128 129 A P > - 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