==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-13 4LGX . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE FAMILY 18; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA PROTEAMACULANS; . AUTHOR J.MADHUPRAKASH,A.SINGH,S.KUMAR,M.SINHA,P.KAUR,S.SHARMA,A.R.P . 398 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 28 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.0 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 3 1 0 3 0 1 2 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 3 1 1 0 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 0 1 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 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 18 A A 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.9 -44.6 4.5 -11.4 2 19 A H - 0 0 177 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.980 360.0-111.6-159.5 155.5 -40.7 4.0 -11.5 3 20 A A - 0 0 88 -2,-0.3 2,-0.1 1,-0.1 0, 0.0 -0.390 33.5-106.0 -86.2 164.6 -37.9 3.5 -14.0 4 21 A A - 0 0 63 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.394 21.8-136.5 -82.2 165.7 -35.8 0.4 -14.6 5 22 A S - 0 0 110 -2,-0.1 2,-0.3 393,-0.0 392,-0.1 -0.978 23.9-167.1-122.0 132.7 -32.2 -0.0 -13.5 6 23 A Y - 0 0 35 390,-0.4 2,-0.2 -2,-0.4 368,-0.2 -0.908 14.9-128.6-124.0 151.0 -29.8 -1.6 -16.0 7 24 A L E -a 374 0A 43 366,-1.9 368,-2.5 -2,-0.3 2,-0.3 -0.656 9.7-165.8 -88.2 151.7 -26.3 -3.0 -15.9 8 25 A S E -a 375 0A 0 -2,-0.2 27,-2.2 366,-0.2 28,-1.7 -0.865 13.0-171.6-133.4 107.2 -23.4 -2.0 -18.2 9 26 A V E -ab 376 36A 0 366,-2.5 368,-2.6 -2,-0.3 2,-0.7 -0.861 3.7-163.0-107.3 108.7 -20.7 -4.6 -17.8 10 27 A G E -ab 377 37A 0 26,-2.5 28,-2.6 -2,-0.7 2,-0.2 -0.829 6.3-152.8 -98.6 115.1 -17.5 -3.8 -19.6 11 28 A Y E - b 0 38A 2 366,-2.7 369,-3.1 -2,-0.7 368,-0.5 -0.603 13.1-159.9 -69.3 145.8 -14.9 -6.4 -20.3 12 29 A F E - b 0 39A 0 26,-2.3 28,-2.7 367,-0.2 2,-1.5 -0.980 14.8-141.7-132.3 119.8 -11.3 -5.0 -20.5 13 30 A N E + b 0 40A 2 -2,-0.4 11,-2.7 1,-0.2 28,-0.2 -0.672 45.1 146.0 -79.0 87.1 -8.5 -6.9 -22.2 14 31 A G + 0 0 0 26,-2.2 27,-0.2 -2,-1.5 9,-0.2 0.792 68.6 40.6 -92.3 -36.7 -5.7 -6.0 -19.8 15 32 A G S S- 0 0 32 25,-2.4 26,-0.2 -3,-0.3 8,-0.2 0.579 118.0 -91.8 -90.0 -10.3 -3.7 -9.2 -19.9 16 33 A G - 0 0 25 24,-0.4 2,-0.3 6,-0.3 -1,-0.3 -0.163 34.9-133.6 105.4 152.0 -3.9 -10.0 -23.7 17 34 A D B > -I 21 0B 25 4,-1.8 4,-1.7 -4,-0.1 81,-0.1 -0.984 17.4-123.3-144.4 146.1 -6.3 -12.1 -25.7 18 35 A V T 4 S+ 0 0 106 79,-0.6 -1,-0.1 -2,-0.3 80,-0.1 0.905 112.6 22.5 -59.1 -48.6 -5.8 -14.8 -28.4 19 36 A T T 4 S+ 0 0 29 78,-0.1 289,-0.2 2,-0.1 -1,-0.2 0.884 127.4 46.6 -89.2 -34.9 -8.0 -13.0 -31.0 20 37 A A T 4 S- 0 0 10 1,-0.2 -2,-0.2 289,-0.0 -1,-0.1 0.611 100.3-138.2 -87.5 -12.7 -7.9 -9.3 -29.7 21 38 A G B < +I 17 0B 24 -4,-1.7 -4,-1.8 3,-0.0 -1,-0.2 -0.359 48.6 1.6 92.9-170.5 -4.1 -9.1 -29.1 22 39 A P S S- 0 0 116 0, 0.0 -6,-0.3 0, 0.0 -7,-0.1 -0.087 85.4 -87.1 -53.9 153.0 -1.9 -7.6 -26.3 23 40 A G - 0 0 28 -9,-0.2 -9,-0.3 -8,-0.2 -8,-0.1 -0.163 41.3-126.7 -66.5 153.7 -3.5 -5.9 -23.3 24 41 A G - 0 0 22 -11,-2.7 2,-0.7 -3,-0.1 -1,-0.1 -0.246 32.0 -82.9 -90.8-178.0 -4.5 -2.3 -23.2 25 42 A D > - 0 0 77 1,-0.1 3,-1.8 356,-0.1 4,-0.3 -0.777 30.6-157.8 -90.5 110.3 -3.7 0.6 -20.9 26 43 A I G > S+ 0 0 2 -2,-0.7 3,-1.2 1,-0.3 -1,-0.1 0.767 86.9 69.8 -60.7 -22.4 -6.1 0.4 -17.9 27 44 A N G 3 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.697 87.9 63.7 -74.1 -16.6 -5.5 4.1 -17.2 28 45 A K G < S+ 0 0 127 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.622 81.0 105.0 -73.5 -19.6 -7.4 5.1 -20.4 29 46 A L < - 0 0 10 -3,-1.2 2,-1.0 -4,-0.3 352,-0.1 -0.424 64.2-142.5 -74.2 140.5 -10.7 3.7 -19.2 30 47 A D > - 0 0 39 -2,-0.1 3,-1.5 1,-0.1 4,-0.1 -0.809 18.8-177.2 -97.8 96.6 -13.6 5.9 -18.0 31 48 A V G > S+ 0 0 0 -2,-1.0 3,-0.7 1,-0.3 -1,-0.1 0.550 71.1 76.6 -77.0 -3.6 -15.0 3.7 -15.2 32 49 A T G 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.636 88.4 61.4 -75.5 -14.5 -17.8 6.2 -14.4 33 50 A Q G < S+ 0 0 25 -3,-1.5 2,-0.3 2,-0.0 -1,-0.2 0.480 100.7 57.4 -90.1 -3.7 -19.6 4.9 -17.6 34 51 A I < - 0 0 1 -3,-0.7 -25,-0.2 -4,-0.1 3,-0.1 -0.862 60.1-151.6-125.0 157.7 -20.0 1.3 -16.4 35 52 A T S S+ 0 0 30 -27,-2.2 54,-1.9 1,-0.3 2,-0.3 0.735 88.0 25.2 -91.2 -32.4 -21.6 -0.5 -13.5 36 53 A H E -bc 9 89A 18 -28,-1.7 -26,-2.5 52,-0.2 2,-0.5 -0.998 63.1-154.3-138.4 140.7 -19.2 -3.5 -13.6 37 54 A L E -bc 10 90A 0 52,-2.5 54,-2.9 -2,-0.3 2,-0.9 -0.968 4.5-161.0-115.6 120.2 -15.7 -4.0 -14.9 38 55 A N E -bc 11 91A 0 -28,-2.6 -26,-2.3 -2,-0.5 2,-0.4 -0.845 14.5-153.1 -97.8 95.3 -14.6 -7.5 -16.0 39 56 A Y E -bc 12 92A 0 52,-2.6 54,-2.9 -2,-0.9 2,-0.4 -0.596 28.8-115.5 -70.2 125.3 -10.8 -7.4 -15.9 40 57 A S E +bc 13 93A 0 -28,-2.7 -25,-2.4 -2,-0.4 -26,-2.2 -0.927 62.0 13.4-124.4 138.3 -9.6 -10.0 -18.4 41 58 A F E + 0 0 12 52,-0.6 2,-0.3 -2,-0.4 53,-0.2 0.578 32.5 165.7-130.8 145.6 -8.1 -12.5 -18.2 42 59 A G E - c 0 94A 0 51,-2.7 53,-2.5 -3,-0.3 2,-0.2 -0.703 35.1-150.7 -75.2 143.8 -7.0 -14.9 -15.5 43 60 A L E -J 66 0C 45 23,-2.5 23,-2.7 -2,-0.3 2,-0.5 -0.571 9.3-115.1-110.7 177.2 -5.8 -18.1 -17.1 44 61 A I E -J 65 0C 1 56,-0.4 21,-0.2 21,-0.3 2,-0.2 -0.969 16.4-127.2-124.4 122.9 -5.8 -21.7 -15.7 45 62 A Y + 0 0 20 19,-2.4 18,-2.5 -2,-0.5 2,-0.3 -0.481 48.9 172.7 -61.4 128.5 -2.8 -23.8 -14.9 46 63 A N - 0 0 8 10,-2.0 15,-0.1 -2,-0.2 16,-0.1 -0.932 48.2-136.3-146.6 161.9 -3.5 -27.0 -16.9 47 64 A D + 0 0 100 -2,-0.3 2,-0.3 54,-0.1 10,-0.1 0.047 53.3 139.0-108.7 22.5 -2.2 -30.4 -18.0 48 65 A E > - 0 0 3 1,-0.1 3,-1.8 2,-0.1 -2,-0.1 -0.531 51.8-140.2 -67.6 126.8 -3.5 -30.2 -21.6 49 66 A K T 3 S+ 0 0 185 -2,-0.3 -1,-0.1 1,-0.3 8,-0.0 0.710 98.4 56.1 -64.7 -23.5 -0.8 -31.6 -23.8 50 67 A Q T 3 S+ 0 0 120 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.382 74.8 126.5 -89.4 2.0 -1.3 -29.0 -26.5 51 68 A E < - 0 0 21 -3,-1.8 95,-0.0 1,-0.1 6,-0.0 -0.447 36.0-175.6 -61.2 125.1 -0.8 -26.0 -24.1 52 69 A T + 0 0 134 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.472 60.1 89.4-105.7 -3.0 1.9 -23.8 -25.6 53 70 A N > - 0 0 54 1,-0.2 3,-1.1 2,-0.0 4,-0.5 -0.816 63.7-162.1 -90.1 104.5 2.1 -21.3 -22.7 54 71 A P G > S+ 0 0 100 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.772 83.1 65.8 -67.2 -22.1 4.8 -22.9 -20.5 55 72 A A G > S+ 0 0 36 1,-0.2 3,-1.2 2,-0.2 -10,-0.0 0.890 99.9 53.2 -59.6 -37.3 3.9 -21.0 -17.4 56 73 A L G < S+ 0 0 5 -3,-1.1 -10,-2.0 1,-0.3 -1,-0.2 0.636 95.9 68.7 -75.2 -12.0 0.5 -22.7 -17.4 57 74 A K G < + 0 0 110 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.316 63.6 127.3 -90.3 7.6 2.2 -26.2 -17.5 58 75 A D X - 0 0 53 -3,-1.2 3,-1.5 1,-0.2 4,-0.2 -0.525 49.1-157.5 -64.8 110.4 3.6 -25.8 -13.9 59 76 A P G > S+ 0 0 112 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.742 84.9 67.7 -68.9 -18.8 2.4 -29.1 -12.4 60 77 A S G 3 S+ 0 0 85 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.585 107.5 39.0 -75.0 -10.9 2.6 -27.7 -8.8 61 78 A R G X S+ 0 0 93 -3,-1.5 3,-2.3 3,-0.1 -16,-0.3 0.199 80.0 158.4-120.6 12.0 -0.2 -25.3 -9.6 62 79 A L T < S+ 0 0 50 -3,-0.9 -16,-0.2 1,-0.3 3,-0.1 -0.097 71.3 10.6 -42.2 127.5 -2.5 -27.5 -11.7 63 80 A H T 3 S+ 0 0 30 -18,-2.5 -1,-0.3 1,-0.3 55,-0.2 0.375 102.6 115.2 81.3 -0.8 -6.1 -26.2 -11.7 64 81 A Q S < S- 0 0 63 -3,-2.3 -19,-2.4 54,-0.1 2,-0.4 -0.476 73.8 -94.4 -89.0 170.6 -5.3 -22.8 -10.0 65 82 A I E -J 44 0C 12 -21,-0.2 2,-0.5 50,-0.2 -21,-0.3 -0.695 31.8-147.4 -88.4 134.3 -5.6 -19.4 -11.6 66 83 A Y E -J 43 0C 42 -23,-2.7 -23,-2.5 -2,-0.4 2,-0.5 -0.900 11.2-170.6-102.4 127.8 -2.6 -17.8 -13.3 67 84 A L - 0 0 13 -2,-0.5 -25,-0.1 -25,-0.2 -2,-0.0 -0.981 16.7-140.0-116.6 121.7 -2.2 -14.0 -13.2 68 85 A S > - 0 0 23 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.242 31.3-100.1 -70.6 167.9 0.6 -12.6 -15.4 69 86 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.899 124.7 50.4 -57.9 -39.2 2.7 -9.7 -14.2 70 87 A K H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 109.5 51.2 -65.0 -39.5 0.7 -7.2 -16.1 71 88 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 111.7 47.5 -62.3 -45.8 -2.6 -8.6 -14.6 72 89 A X H X S+ 0 0 102 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.926 113.4 48.0 -61.8 -38.6 -1.1 -8.3 -11.1 73 90 A A H < S+ 0 0 39 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.901 112.3 48.3 -66.7 -44.0 0.1 -4.8 -11.7 74 91 A D H >< S+ 0 0 14 -4,-2.7 3,-1.8 1,-0.2 4,-0.2 0.909 106.2 56.6 -63.3 -42.8 -3.2 -3.6 -13.2 75 92 A L H >< S+ 0 0 4 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.796 96.3 67.1 -63.8 -20.7 -5.2 -5.2 -10.3 76 93 A Q T 3< S+ 0 0 147 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.728 92.1 62.2 -65.3 -23.1 -3.1 -3.0 -8.0 77 94 A L T X> + 0 0 61 -3,-1.8 4,-1.8 -4,-0.4 3,-1.1 0.487 70.0 102.9 -84.8 -0.4 -4.8 -0.0 -9.4 78 95 A L H <> S+ 0 0 4 -3,-1.4 4,-2.7 1,-0.3 5,-0.2 0.863 74.3 59.9 -54.0 -38.5 -8.3 -1.0 -8.3 79 96 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.900 105.5 49.8 -56.9 -36.1 -8.3 1.5 -5.4 80 97 A V H <> S+ 0 0 75 -3,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.932 111.7 47.7 -66.1 -44.0 -7.8 4.3 -7.9 81 98 A L H X S+ 0 0 10 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.899 110.2 52.5 -63.2 -40.7 -10.6 3.1 -10.0 82 99 A R H < S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 106.0 53.4 -67.2 -33.7 -12.9 2.7 -7.0 83 100 A K H < S+ 0 0 165 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.879 108.6 50.9 -65.4 -37.6 -12.2 6.3 -6.0 84 101 A Q H < S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 130.9 15.0 -64.3 -41.6 -13.2 7.4 -9.5 85 102 A N >< - 0 0 24 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.3 -0.778 65.3-173.3-136.7 95.3 -16.5 5.5 -9.3 86 103 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.640 87.8 55.9 -64.3 -14.1 -17.4 4.3 -5.8 87 104 A E T 3 S+ 0 0 150 2,-0.1 -5,-0.1 -5,-0.0 2,-0.0 0.534 82.0 117.7 -91.0 -10.3 -20.3 2.4 -7.2 88 105 A L < - 0 0 3 -3,-1.9 2,-0.4 -6,-0.2 -52,-0.2 -0.316 50.9-153.8 -60.9 136.5 -18.2 0.3 -9.6 89 106 A K E -c 36 0A 84 -54,-1.9 -52,-2.5 -2,-0.0 2,-0.4 -0.924 9.3-157.3-106.1 139.8 -18.0 -3.4 -9.1 90 107 A V E +c 37 0A 0 -2,-0.4 39,-2.8 -54,-0.2 40,-0.8 -0.974 13.0 176.6-124.7 124.5 -14.8 -5.2 -10.3 91 108 A L E -cd 38 130A 0 -54,-2.9 -52,-2.6 -2,-0.4 2,-0.5 -0.868 27.3-127.8-114.4 155.3 -14.6 -8.9 -11.3 92 109 A L E -cd 39 131A 0 38,-1.6 40,-2.6 -2,-0.3 2,-0.5 -0.912 22.0-145.8 -94.3 131.2 -11.8 -11.0 -12.7 93 110 A S E -cd 40 132A 0 -54,-2.9 -51,-2.7 -2,-0.5 -52,-0.6 -0.857 11.3-158.2 -94.4 133.4 -12.8 -12.9 -15.8 94 111 A V E +cd 42 133A 0 38,-2.7 40,-3.1 -2,-0.5 2,-0.5 -0.950 57.5 12.7-111.9 128.9 -11.1 -16.3 -16.1 95 112 A G E + d 0 134A 2 -53,-2.5 40,-0.2 -2,-0.5 2,-0.1 -0.954 59.3 176.3 119.2-126.8 -10.8 -17.9 -19.5 96 113 A G > - 0 0 2 38,-2.7 3,-2.2 -2,-0.5 40,-0.4 -0.323 54.7 -24.6 102.5 172.2 -11.4 -16.3 -22.8 97 114 A W T 3 S+ 0 0 78 1,-0.3 -79,-0.6 -2,-0.1 -78,-0.1 -0.325 133.7 5.3 -57.7 127.2 -11.0 -17.6 -26.4 98 115 A G T 3 S+ 0 0 17 38,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.392 89.3 145.8 80.5 -1.6 -8.4 -20.4 -26.5 99 116 A A < - 0 0 11 -3,-2.2 3,-0.3 35,-0.2 37,-0.3 -0.580 33.8-155.3 -77.5 120.7 -8.0 -20.6 -22.8 100 117 A R + 0 0 28 -2,-0.5 -56,-0.4 1,-0.2 46,-0.1 -0.295 57.5 61.0 -85.2 169.7 -7.3 -24.1 -21.7 101 118 A G > + 0 0 2 -2,-0.1 4,-2.2 -58,-0.1 5,-0.2 0.165 66.1 100.4 105.3 -17.8 -7.9 -25.8 -18.3 102 119 A F H > S+ 0 0 3 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.920 81.3 54.6 -67.7 -41.2 -11.6 -25.6 -17.6 103 120 A S H 4 S+ 0 0 9 44,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.936 116.3 38.1 -60.1 -44.8 -12.5 -29.2 -18.7 104 121 A G H >4 S+ 0 0 24 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.868 114.0 54.6 -71.8 -38.8 -9.8 -30.6 -16.3 105 122 A A H 3< S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 10,-0.3 0.863 113.7 43.1 -61.2 -34.9 -10.5 -28.1 -13.5 106 123 A A T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.573 93.4 88.6 -84.3 -9.2 -14.2 -29.1 -13.6 107 124 A A S < S+ 0 0 36 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 0.758 88.6 20.6 -74.1 -31.9 -13.7 -32.8 -13.9 108 125 A T S > S- 0 0 71 -4,-0.4 4,-2.6 -3,-0.3 5,-0.3 -0.890 72.9-111.3-134.7 163.0 -13.5 -34.0 -10.3 109 126 A A H > S+ 0 0 67 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.926 120.6 49.0 -53.6 -45.6 -14.4 -33.0 -6.7 110 127 A E H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 111.8 46.0 -63.1 -42.5 -10.7 -32.6 -6.0 111 128 A S H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 112.7 50.7 -69.8 -41.8 -9.9 -30.5 -9.1 112 129 A R H X S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.891 107.3 53.7 -61.5 -39.5 -12.9 -28.3 -8.5 113 130 A A H X S+ 0 0 35 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.894 109.1 49.0 -64.2 -38.4 -11.9 -27.7 -4.9 114 131 A V H X S+ 0 0 29 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.951 112.8 47.0 -63.0 -48.2 -8.4 -26.6 -6.0 115 132 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 -10,-0.3 -2,-0.2 0.935 113.3 48.7 -60.8 -45.9 -9.9 -24.2 -8.6 116 133 A I H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.904 108.9 52.4 -64.4 -40.2 -12.4 -22.8 -6.1 117 134 A R H X S+ 0 0 153 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.879 110.0 49.9 -61.1 -38.8 -9.8 -22.3 -3.4 118 135 A S H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.913 108.3 52.0 -66.2 -43.4 -7.7 -20.4 -6.0 119 136 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.941 111.5 47.9 -53.7 -47.8 -10.7 -18.2 -6.9 120 137 A Q H X S+ 0 0 29 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.891 110.8 51.2 -62.8 -40.2 -11.2 -17.4 -3.2 121 138 A Q H X S+ 0 0 94 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.915 112.5 45.4 -62.5 -44.0 -7.5 -16.6 -2.8 122 139 A V H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.912 110.5 52.6 -70.1 -43.8 -7.5 -14.2 -5.8 123 140 A I H X>S+ 0 0 3 -4,-2.6 5,-1.8 -5,-0.2 4,-0.8 0.916 115.6 42.3 -56.3 -42.9 -10.7 -12.5 -4.7 124 141 A K H <5S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.899 113.7 49.7 -75.0 -40.9 -9.2 -11.9 -1.3 125 142 A Q H <5S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 124.2 29.3 -64.0 -42.0 -5.7 -10.9 -2.4 126 143 A Y H <5S- 0 0 24 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.427 105.1-122.0-103.8 3.2 -6.9 -8.3 -4.9 127 144 A H T <5 + 0 0 138 -4,-0.8 2,-0.2 -5,-0.2 -3,-0.2 0.953 45.9 177.3 55.9 56.5 -10.2 -7.3 -3.2 128 145 A L < - 0 0 0 -5,-1.8 -37,-0.2 -6,-0.2 -1,-0.2 -0.595 37.3-138.0 -89.9 151.5 -12.5 -8.3 -6.1 129 146 A D S S- 0 0 28 -39,-2.8 43,-2.5 -2,-0.2 2,-0.3 0.602 75.1 -45.6 -80.5 -12.0 -16.3 -8.1 -6.1 130 147 A G E -de 91 172A 0 -40,-0.8 -38,-1.6 41,-0.3 2,-0.4 -0.990 57.2 -86.4 170.1-169.2 -16.6 -11.4 -7.8 131 148 A I E -de 92 173A 0 41,-2.4 43,-1.9 -2,-0.3 2,-0.4 -0.991 19.2-160.1-135.5 138.6 -15.5 -13.8 -10.5 132 149 A D E -de 93 174A 0 -40,-2.6 -38,-2.7 -2,-0.4 2,-0.5 -0.965 11.9-151.1-118.2 129.5 -16.6 -14.2 -14.2 133 150 A L E -de 94 175A 0 41,-2.3 43,-1.9 -2,-0.4 2,-0.5 -0.924 11.3-175.6-106.4 124.9 -16.0 -17.6 -15.9 134 151 A D E +d 95 0A 5 -40,-3.1 -38,-2.7 -2,-0.5 2,-0.7 -0.760 10.7 174.7-120.2 77.4 -15.5 -17.4 -19.7 135 152 A W - 0 0 4 -2,-0.5 2,-0.6 41,-0.4 -38,-0.1 -0.798 24.3-144.1 -92.1 114.4 -15.2 -21.0 -20.8 136 153 A E S S- 0 0 9 -2,-0.7 -38,-0.5 -40,-0.4 9,-0.1 -0.783 75.8 -15.8-118.7 84.1 -15.1 -21.2 -24.6 137 154 A Y > - 0 0 23 -2,-0.6 4,-2.5 4,-0.2 -1,-0.3 0.668 52.7-153.6-147.8 150.6 -16.6 -23.8 -24.6 138 155 A P T 4 S- 0 0 2 0, 0.0 2,-1.9 0, 0.0 4,-0.2 -0.319 94.5 -1.9 -56.9 144.4 -17.8 -26.7 -22.5 139 156 A V T 4 S+ 0 0 36 10,-0.5 9,-0.1 1,-0.2 48,-0.1 -0.070 134.2 56.1 67.9 -28.3 -18.4 -29.9 -24.5 140 157 A N T >> S- 0 0 26 -2,-1.9 4,-0.8 -3,-0.1 3,-0.6 0.797 82.6-154.5-104.9 -33.9 -17.5 -28.4 -27.8 141 158 A G H 3X> - 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-1.0 0.729 65.0 -69.8 65.6 23.1 -14.1 -27.1 -26.9 142 159 A A H >45S- 0 0 6 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.944 97.3 -52.5 53.7 48.5 -14.3 -24.4 -29.5 143 160 A W H <45S- 0 0 159 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.4 -38.6 58.5 39.6 -14.1 -27.1 -32.1 144 161 A G H 3<5S+ 0 0 53 -4,-0.8 -1,-0.2 2,-0.3 -2,-0.2 0.427 106.5 117.1 95.1 1.6 -10.9 -28.6 -30.7 145 162 A L T <<5S+ 0 0 62 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.801 86.9 19.5 -70.6 -30.9 -9.1 -25.4 -29.7 146 163 A V S - 0 0 77 -2,-0.3 3,-2.0 1,-0.1 -10,-0.5 -0.963 42.5-104.3-161.7 159.5 -15.7 -33.9 -23.1 150 167 A P T > S+ 0 0 111 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.803 115.7 66.0 -63.7 -28.0 -19.4 -34.5 -22.9 151 168 A A T 3> S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.581 77.4 88.6 -63.9 -12.9 -19.2 -34.5 -19.1 152 169 A D H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.831 81.5 57.6 -54.7 -34.8 -18.3 -30.8 -19.3 153 170 A R H <> S+ 0 0 88 -3,-1.1 4,-1.6 -4,-0.2 36,-0.4 0.982 114.6 34.6 -64.1 -54.2 -22.0 -29.8 -19.2 154 171 A A H > S+ 0 0 53 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.882 117.6 54.3 -66.9 -36.9 -22.7 -31.5 -15.9 155 172 A N H X S+ 0 0 19 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.851 104.9 53.9 -67.3 -34.4 -19.3 -30.8 -14.5 156 173 A F H X S+ 0 0 4 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.923 107.7 51.3 -63.9 -42.2 -19.8 -27.0 -15.2 157 174 A T H X S+ 0 0 26 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.941 111.1 47.6 -59.4 -45.9 -23.0 -27.2 -13.3 158 175 A L H X S+ 0 0 71 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.918 111.4 50.8 -60.5 -44.1 -21.2 -28.8 -10.4 159 176 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.940 113.1 44.9 -60.9 -46.9 -18.4 -26.2 -10.5 160 177 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.893 112.9 50.4 -65.8 -39.9 -20.8 -23.4 -10.4 161 178 A A H X S+ 0 0 26 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.932 115.8 43.2 -60.9 -45.1 -22.9 -24.9 -7.6 162 179 A E H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.874 113.7 49.7 -72.4 -35.8 -19.8 -25.5 -5.6 163 180 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.931 109.0 53.1 -68.6 -41.3 -18.3 -22.1 -6.3 164 181 A H H < S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 110.2 48.7 -56.7 -43.4 -21.6 -20.4 -5.4 165 182 A K H < S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 114.4 45.3 -62.9 -40.7 -21.5 -22.3 -2.1 166 183 A A H < S+ 0 0 41 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.787 91.3 95.0 -77.8 -31.5 -17.8 -21.2 -1.4 167 184 A L S < S- 0 0 10 -4,-2.4 3,-0.1 -5,-0.1 6,-0.0 -0.359 85.1-104.9 -64.1 144.5 -18.1 -17.5 -2.3 168 185 A D > - 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