==== 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 HYDROLASE 17-APR-03 1P3C . COMPND 2 MOLECULE: GLUTAMYL-ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS INTERMEDIUS; . AUTHOR R.MEIJERS,E.V.BLAGOVA,V.M.LEVDIKOV,G.N.RUDENSKAYA,G.G.CHESTU . 215 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 16 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 1 0 0 0 1 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 . 2 5 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 1 A V 0 0 50 0, 0.0 165,-1.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 155.1 1.5 28.8 8.7 2 2 A V - 0 0 56 163,-0.2 2,-0.6 4,-0.1 4,-0.1 -0.844 360.0-159.1 -93.5 123.7 1.5 25.7 6.5 3 3 A I - 0 0 47 -2,-0.6 162,-0.1 160,-0.3 191,-0.1 -0.920 51.6 -47.5-113.5 116.1 1.4 26.8 2.9 4 4 A G S S+ 0 0 69 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.367 122.0 12.9 60.4-134.3 0.2 24.3 0.4 5 5 A D S S- 0 0 159 1,-0.1 2,-0.5 -2,-0.1 -2,-0.2 -0.508 87.6-113.2 -75.1 142.1 1.8 20.9 0.8 6 6 A D - 0 0 59 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.624 31.9-178.6 -81.3 119.8 3.8 20.5 4.0 7 7 A G + 0 0 36 -2,-0.5 142,-0.2 2,-0.1 2,-0.2 0.293 38.8 121.4-101.5 7.9 7.5 20.2 3.3 8 8 A R - 0 0 16 140,-0.1 2,-0.3 138,-0.1 140,-0.2 -0.499 41.1-166.4 -75.6 141.4 8.7 19.7 6.9 9 9 A T E -A 147 0A 81 138,-2.5 138,-2.8 -2,-0.2 2,-0.2 -0.931 26.7-102.1-126.5 151.6 10.7 16.5 7.8 10 10 A K E -A 146 0A 79 -2,-0.3 2,-0.4 136,-0.2 136,-0.3 -0.468 38.3-113.1 -74.3 137.3 11.6 15.0 11.1 11 11 A V - 0 0 1 134,-2.9 134,-0.2 -2,-0.2 3,-0.2 -0.584 23.7-154.6 -69.6 126.1 15.2 15.5 12.2 12 12 A A S S+ 0 0 104 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.855 77.4 19.5 -74.4 -37.2 16.9 12.2 12.2 13 13 A N > - 0 0 77 1,-0.1 3,-0.6 3,-0.1 -1,-0.3 -0.925 53.4-179.1-142.2 110.0 19.6 12.8 14.8 14 14 A T T 3 S+ 0 0 4 -2,-0.4 8,-0.1 -3,-0.2 -1,-0.1 0.182 73.1 81.9 -93.3 17.9 19.4 15.7 17.4 15 15 A R T 3 S+ 0 0 152 2,-0.1 2,-0.3 4,-0.0 -1,-0.2 0.405 86.4 64.6 -99.2 1.8 22.8 14.8 18.9 16 16 A V S <> S- 0 0 69 -3,-0.6 4,-1.7 50,-0.0 3,-0.3 -0.847 92.6 -49.1-123.5 161.0 24.7 16.7 16.2 17 17 A A T 4 S+ 0 0 45 1,-0.3 -2,-0.1 -2,-0.3 95,-0.0 -0.403 112.0 9.7 -74.9 147.0 24.9 20.3 15.1 18 18 A P T >4 S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.997 125.8 55.1 -88.0 -5.0 23.0 22.4 14.5 19 19 A Y G >4 S+ 0 0 31 -3,-0.3 3,-1.2 1,-0.3 47,-0.4 0.785 99.3 61.7 -61.3 -32.1 20.0 20.4 15.8 20 20 A N G 3< S+ 0 0 19 -4,-1.7 -1,-0.3 1,-0.2 -3,-0.1 0.728 103.3 51.2 -67.2 -20.0 21.5 19.7 19.3 21 21 A S G < S+ 0 0 0 -3,-1.7 15,-2.6 -5,-0.2 2,-0.5 0.476 90.5 91.0 -95.1 -3.6 21.5 23.5 20.0 22 22 A I E < -G 35 0B 1 -3,-1.2 44,-3.1 -4,-0.4 2,-0.3 -0.832 66.9-161.1 -98.4 126.2 17.8 24.0 19.0 23 23 A A E -GH 34 65B 0 11,-3.1 11,-2.2 -2,-0.5 2,-0.5 -0.819 26.8-132.2-119.3 144.1 15.6 23.6 22.0 24 24 A Y E -GH 33 64B 40 40,-1.8 40,-2.5 -2,-0.3 2,-0.4 -0.819 36.6-163.7 -78.9 127.1 12.0 22.9 22.9 25 25 A I E -GH 32 63B 0 7,-2.0 7,-2.3 -2,-0.5 2,-0.3 -0.966 4.1-158.8-126.2 134.2 11.2 25.5 25.5 26 26 A T E +G 31 0B 26 36,-2.5 35,-0.4 -2,-0.4 5,-0.2 -0.850 11.3 177.9-117.3 147.5 8.2 25.5 27.9 27 27 A F - 0 0 18 3,-2.7 33,-0.2 -2,-0.3 3,-0.1 -0.632 51.8 -80.8-126.9-170.1 6.4 28.1 29.9 28 28 A G S S+ 0 0 67 31,-0.6 32,-0.1 -2,-0.2 3,-0.1 0.805 123.5 8.0 -67.3 -32.4 3.3 27.9 32.2 29 29 A G S S+ 0 0 78 30,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.153 128.3 27.1-134.1 13.9 0.7 27.9 29.4 30 30 A S - 0 0 60 -3,-0.1 -3,-2.7 18,-0.0 2,-0.3 -0.968 57.3-137.3-165.2 169.4 2.6 27.6 26.2 31 31 A S E +G 26 0B 30 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.970 19.4 170.6-136.8 161.2 5.8 26.4 24.4 32 32 A a E -G 25 0B 7 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.3 -0.762 34.1 -95.4-145.1-170.5 8.1 27.8 21.7 33 33 A T E +G 24 0B 0 138,-2.7 12,-0.3 -2,-0.2 2,-0.3 -0.906 37.0 179.8-110.9 148.6 11.4 27.1 20.1 34 34 A G E -G 23 0B 0 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.4 -0.940 16.7-144.1-141.3 165.0 14.7 28.5 21.1 35 35 A T E -GI 22 43B 1 8,-1.6 8,-2.7 -2,-0.3 -13,-0.2 -0.999 24.9-116.5-130.6 134.1 18.4 28.3 20.0 36 36 A L E + I 0 42B 0 -15,-2.6 78,-2.5 -2,-0.4 6,-0.2 -0.480 35.2 168.0 -66.4 133.7 21.4 28.3 22.3 37 37 A I E + 0 0 1 4,-2.5 5,-0.2 1,-0.3 -1,-0.1 0.274 68.8 10.0-127.4 1.8 23.6 31.4 21.5 38 38 A A E > S- I 0 41B 10 3,-1.0 3,-0.9 74,-0.2 -1,-0.3 -0.937 96.4 -80.7-166.0 172.8 25.9 31.2 24.6 39 39 A P T 3 S+ 0 0 34 0, 0.0 69,-2.7 0, 0.0 70,-0.4 0.852 129.3 14.1 -55.8 -31.8 26.7 28.6 27.3 40 40 A N T 3 S+ 0 0 34 66,-0.2 63,-2.0 67,-0.2 2,-0.4 -0.058 109.5 94.6-134.6 31.3 23.6 29.8 29.3 41 41 A K E < -IJ 38 102B 1 -3,-0.9 -4,-2.5 61,-0.2 -3,-1.0 -0.995 46.6-167.0-136.2 131.8 21.5 31.9 26.8 42 42 A I E -IJ 36 101B 0 59,-2.4 59,-2.3 -2,-0.4 2,-0.5 -0.947 12.9-144.5-117.1 135.2 18.6 31.0 24.5 43 43 A L E +IJ 35 100B 1 -8,-2.7 -8,-1.6 -2,-0.4 57,-0.2 -0.873 37.7 137.8 -97.3 132.1 17.3 33.1 21.7 44 44 A T E - J 0 99B 0 55,-2.6 55,-2.1 -2,-0.5 2,-0.3 -0.723 53.4 -60.8-150.0-167.5 13.5 33.1 21.1 45 45 A N >> - 0 0 0 -12,-0.3 3,-1.0 53,-0.3 4,-0.7 -0.664 34.0-128.6 -84.6 150.4 10.7 35.5 20.3 46 46 A G H >> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.2 3,-1.2 0.894 109.0 60.5 -55.5 -42.6 9.6 38.3 22.5 47 47 A H H 34 S+ 0 0 66 1,-0.3 -1,-0.2 2,-0.2 50,-0.0 0.681 95.9 61.2 -68.5 -14.6 6.0 37.1 22.3 48 48 A a H <4 S+ 0 0 4 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.802 116.9 29.4 -75.0 -29.6 7.0 33.8 23.9 49 49 A V H << S+ 0 0 0 -3,-1.2 9,-2.4 -4,-0.7 2,-0.4 0.605 125.1 37.5-106.7 -16.8 8.2 35.5 27.1 50 50 A Y E < -M 57 0C 22 -4,-2.0 2,-0.6 7,-0.3 -1,-0.2 -0.993 63.9-149.4-143.8 132.5 5.9 38.6 27.2 51 51 A N E >> -M 56 0C 80 5,-2.8 5,-1.3 -2,-0.4 4,-1.2 -0.893 4.0-165.5-105.8 113.1 2.2 39.0 26.4 52 52 A T T 45S+ 0 0 63 -2,-0.6 -1,-0.1 2,-0.2 5,-0.0 0.791 87.0 55.6 -69.1 -30.8 1.4 42.6 25.1 53 53 A A T 45S+ 0 0 94 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.934 122.0 26.9 -66.1 -46.1 -2.4 42.1 25.5 54 54 A S T 45S- 0 0 70 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.494 99.0-131.9 -95.7 -5.2 -2.1 41.1 29.2 55 55 A R T <5 + 0 0 205 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.904 63.7 132.0 53.0 46.9 1.1 43.0 30.0 56 56 A S E < -M 51 0C 61 -5,-1.3 -5,-2.8 0, 0.0 -1,-0.2 -0.983 56.6-130.4-134.3 134.6 2.4 39.9 31.6 57 57 A Y E -M 50 0C 113 -2,-0.4 -7,-0.3 -7,-0.2 -8,-0.1 -0.499 37.9-103.6 -74.3 152.7 5.6 37.9 31.5 58 58 A S - 0 0 29 -9,-2.4 2,-0.2 -2,-0.2 -1,-0.1 -0.358 37.1 -99.4 -70.0 153.8 5.4 34.2 31.0 59 59 A A - 0 0 58 1,-0.1 -31,-0.6 -2,-0.1 2,-0.2 -0.566 46.8-105.6 -68.9 141.9 5.9 31.8 33.8 60 60 A K + 0 0 109 -2,-0.2 -33,-0.1 -33,-0.2 2,-0.1 -0.489 52.2 156.5 -75.0 135.9 9.4 30.3 33.7 61 61 A G - 0 0 15 -35,-0.4 18,-2.5 -2,-0.2 2,-0.3 -0.096 35.2 -56.9-127.8-133.0 9.8 26.8 32.6 62 62 A S E - K 0 78B 22 16,-0.2 -36,-2.5 -36,-0.2 2,-0.4 -0.782 25.4-139.6-129.7 162.7 12.4 24.5 31.1 63 63 A V E -HK 25 77B 0 14,-2.8 14,-1.9 -2,-0.3 -38,-0.2 -0.990 12.3-174.5-128.3 126.4 14.7 24.1 28.1 64 64 A Y E > -H 24 0B 57 -40,-2.5 -40,-1.8 -2,-0.4 3,-1.4 -0.834 14.4-153.8-125.3 88.3 15.3 20.8 26.3 65 65 A P E 3 S-H 23 0B 0 0, 0.0 9,-0.6 0, 0.0 -42,-0.3 -0.489 78.7 -2.9 -69.6 127.7 18.1 21.1 23.6 66 66 A G T 3 S+ 0 0 0 -44,-3.1 7,-0.3 -47,-0.4 -52,-0.2 0.764 83.3 176.5 63.1 29.7 17.6 18.6 20.8 67 67 A M < + 0 0 15 -3,-1.4 2,-0.3 -45,-0.2 78,-0.3 -0.391 3.1 174.5 -56.0 137.9 14.7 16.9 22.4 68 68 A N B > +N 71 0D 12 3,-1.8 3,-2.3 76,-0.2 76,-0.2 -0.984 60.8 6.7-148.2 145.2 13.4 14.2 20.0 69 69 A D T 3 S- 0 0 66 -2,-0.3 75,-0.2 1,-0.3 3,-0.1 0.853 128.2 -64.9 49.7 42.1 10.6 11.6 20.5 70 70 A S T 3 S+ 0 0 61 73,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.674 109.5 126.8 57.5 20.3 9.8 13.3 23.8 71 71 A T B < -N 68 0D 78 -3,-2.3 2,-2.1 72,-0.3 -3,-1.8 -0.935 64.5-135.8-112.2 128.9 13.2 12.3 25.1 72 72 A A > + 0 0 43 -2,-0.5 3,-2.0 1,-0.2 -5,-0.1 -0.464 34.6 170.4 -79.8 71.9 15.7 14.8 26.6 73 73 A V T 3 S+ 0 0 34 -2,-2.1 -1,-0.2 -7,-0.3 -6,-0.1 0.743 77.5 33.5 -58.4 -29.8 18.6 13.3 24.7 74 74 A N T 3 S- 0 0 34 -9,-0.6 -1,-0.3 1,-0.4 2,-0.1 0.117 116.1-111.3-114.8 20.3 20.9 16.2 25.6 75 75 A G < - 0 0 34 -3,-2.0 -1,-0.4 -11,-0.1 2,-0.3 -0.367 33.8 -98.2 81.2-164.7 19.6 16.9 29.1 76 76 A S - 0 0 63 -12,-0.2 2,-0.3 -2,-0.1 -12,-0.2 -0.968 21.1-160.3-153.7 161.6 17.7 19.9 30.3 77 77 A A E -K 63 0B 4 -14,-1.9 -14,-2.8 -2,-0.3 2,-0.3 -0.936 22.1-116.7-142.1 163.9 18.0 23.3 32.1 78 78 A N E -K 62 0B 79 -2,-0.3 26,-1.9 -16,-0.2 2,-0.3 -0.767 26.8-116.0-103.1 147.5 15.6 25.7 33.9 79 79 A M E +L 103 0B 10 -18,-2.5 24,-0.2 -2,-0.3 3,-0.1 -0.673 36.2 166.3 -77.8 137.7 14.9 29.3 32.8 80 80 A T E + 0 0 54 22,-2.8 2,-0.3 1,-0.4 23,-0.2 0.668 57.9 18.0-122.1 -31.9 16.0 31.9 35.3 81 81 A E E -L 102 0B 105 21,-1.1 21,-2.6 2,-0.0 2,-0.4 -0.998 56.8-146.9-146.6 146.7 15.9 35.3 33.7 82 82 A F E -L 101 0B 22 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.923 4.8-165.8-112.6 142.3 14.3 37.0 30.7 83 83 A Y E +L 100 0B 28 17,-2.7 17,-2.3 -2,-0.4 -34,-0.1 -0.984 15.6 173.2-125.3 118.4 15.7 39.9 28.6 84 84 A V - 0 0 20 -2,-0.4 15,-0.2 15,-0.2 2,-0.1 -0.971 35.6-109.0-128.4 133.2 13.2 41.6 26.2 85 85 A P >> - 0 0 11 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.399 22.0-128.0 -62.7 139.9 13.9 44.8 24.2 86 86 A S H 3> S+ 0 0 88 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.855 109.0 65.3 -53.0 -37.5 12.1 47.9 25.4 87 87 A G H 3> S+ 0 0 17 1,-0.2 4,-1.3 2,-0.2 6,-0.5 0.872 102.0 46.6 -53.5 -39.9 10.9 48.3 21.8 88 88 A Y H <> S+ 0 0 11 -3,-1.0 4,-2.2 8,-0.2 3,-0.3 0.949 111.9 48.5 -71.5 -45.6 8.8 45.1 22.2 89 89 A I H < S+ 0 0 57 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.8 43.5 -58.7 -38.7 7.3 45.9 25.6 90 90 A N H < S+ 0 0 129 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.647 133.2 11.7 -86.4 -18.9 6.4 49.4 24.3 91 91 A T H < S- 0 0 89 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.2 0.624 74.4-139.0-130.4 -25.9 5.0 48.5 20.8 92 92 A G < + 0 0 29 -4,-2.2 -4,-0.2 -5,-0.4 2,-0.1 0.612 50.3 158.1 69.0 15.1 4.5 44.8 20.4 93 93 A A > - 0 0 32 -6,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.372 53.3-124.5 -79.9 146.9 5.9 45.2 16.9 94 94 A S G > S+ 0 0 35 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.829 106.6 67.6 -51.8 -36.4 7.3 42.3 14.8 95 95 A Q G 3 S+ 0 0 79 1,-0.3 -1,-0.3 103,-0.1 -7,-0.1 0.656 108.9 38.0 -64.8 -13.6 10.6 44.3 14.3 96 96 A Y G < S+ 0 0 79 -3,-1.9 2,-2.2 -9,-0.1 -1,-0.3 0.212 80.5 124.4-114.0 13.5 11.3 43.9 18.0 97 97 A D < + 0 0 6 -3,-1.9 2,-0.3 -4,-0.1 75,-0.1 -0.403 47.0 95.8 -84.8 67.2 10.0 40.3 18.4 98 98 A F + 0 0 9 -2,-2.2 2,-0.3 -53,-0.3 -53,-0.3 -0.973 43.0 173.0-147.9 156.0 13.0 38.7 19.9 99 99 A A E -J 44 0B 0 -55,-2.1 -55,-2.6 -2,-0.3 2,-0.4 -0.982 22.5-131.9-160.9 158.4 14.2 37.9 23.4 100 100 A V E -JL 43 83B 0 -17,-2.3 -17,-2.7 -2,-0.3 2,-0.4 -0.949 14.6-159.0-121.9 141.1 16.9 36.1 25.3 101 101 A I E -JL 42 82B 0 -59,-2.3 -59,-2.4 -2,-0.4 2,-0.3 -0.978 10.7-141.6-118.9 129.9 16.5 33.7 28.2 102 102 A K E -JL 41 81B 57 -21,-2.6 -22,-2.8 -2,-0.4 -21,-1.1 -0.738 16.6-148.9 -86.3 142.0 19.2 32.8 30.8 103 103 A T E - L 0 79B 4 -63,-2.0 -24,-0.2 -2,-0.3 -41,-0.0 -0.713 19.8-122.4-107.5 161.9 19.4 29.2 32.0 104 104 A D S S+ 0 0 82 -26,-1.9 2,-0.3 -2,-0.3 -25,-0.1 0.760 94.1 38.8 -75.5 -26.9 20.5 27.9 35.4 105 105 A T S S- 0 0 67 -27,-0.2 2,-1.5 -66,-0.1 3,-0.3 -0.829 88.0-109.4-122.6 165.3 23.3 25.7 34.0 106 106 A N >> + 0 0 89 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 -0.353 53.0 153.4 -90.8 57.3 25.8 26.1 31.2 107 107 A I H >> + 0 0 14 -2,-1.5 4,-2.0 1,-0.3 3,-0.9 0.787 62.5 69.5 -61.2 -28.0 24.2 23.5 28.9 108 108 A G H 3> S+ 0 0 1 -69,-2.7 4,-1.6 -3,-0.3 -1,-0.3 0.723 88.4 64.3 -63.7 -22.5 25.6 25.2 25.8 109 109 A N H <4 S+ 0 0 113 -3,-2.0 -1,-0.2 -70,-0.4 -2,-0.2 0.868 109.4 39.9 -67.4 -30.7 29.1 24.2 26.8 110 110 A T H << S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.913 130.1 24.7 -82.1 -47.9 28.0 20.5 26.3 111 111 A V H < S- 0 0 13 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.714 106.2-124.2 -93.5 -20.5 25.8 20.8 23.2 112 112 A G < - 0 0 25 -4,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.365 17.7-118.4 98.4 173.2 27.2 23.9 21.6 113 113 A Y - 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