==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-05 1YS1 . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR A.MEZZETTI,J.D.SCHRAG,C.S.CHEONG,R.J.KAZLAUSKAS . 320 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 15 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 1 1 0 2 0 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 3 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X A 0 0 109 0, 0.0 2,-0.2 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 148.6 2.4 -25.6 22.4 2 2 X D - 0 0 72 37,-1.2 3,-0.2 0, 0.0 0, 0.0 -0.804 360.0 -89.1-159.7-164.0 3.3 -24.9 26.0 3 3 X N S > S+ 0 0 105 -2,-0.2 3,-1.6 1,-0.1 38,-0.1 -0.001 74.2 123.7-114.6 28.1 3.6 -22.1 28.6 4 4 X Y T 3 S+ 0 0 67 1,-0.3 312,-0.2 38,-0.0 37,-0.2 0.850 85.3 35.5 -54.1 -38.4 7.2 -21.1 28.0 5 5 X A T 3 S+ 0 0 0 35,-2.7 2,-0.3 32,-0.2 -1,-0.3 0.189 84.3 129.6-102.9 12.7 6.2 -17.5 27.3 6 6 X A < - 0 0 22 -3,-1.6 2,-0.3 34,-0.4 36,-0.2 -0.565 37.5-174.1 -72.6 122.9 3.3 -17.3 29.8 7 7 X T - 0 0 24 -2,-0.3 36,-0.1 34,-0.2 309,-0.1 -0.847 35.1-122.1-114.1 159.9 3.9 -14.1 31.8 8 8 X R S S+ 0 0 185 312,-2.4 72,-0.1 -2,-0.3 -1,-0.1 0.896 100.8 42.4 -64.2 -42.1 2.0 -12.8 34.8 9 9 X Y S S- 0 0 30 69,-0.1 72,-0.2 70,-0.1 34,-0.2 -0.851 99.3 -99.2-110.5 142.2 1.1 -9.6 33.0 10 10 X P - 0 0 7 0, 0.0 72,-2.9 0, 0.0 2,-0.4 -0.252 34.8-126.8 -57.9 145.7 0.0 -9.3 29.4 11 11 X I E -ab 44 82A 4 32,-2.8 34,-2.7 70,-0.2 2,-0.5 -0.787 18.6-163.7 -92.0 133.6 2.7 -8.3 26.8 12 12 X I E -ab 45 83A 0 70,-2.7 72,-2.7 -2,-0.4 2,-0.4 -0.987 9.6-148.9-115.9 121.8 2.0 -5.3 24.5 13 13 X L E -ab 46 84A 0 32,-2.6 34,-2.2 -2,-0.5 2,-0.5 -0.775 14.0-159.1 -86.4 131.7 4.3 -5.1 21.5 14 14 X V E - b 0 85A 0 70,-2.9 72,-2.3 -2,-0.4 75,-0.2 -0.931 3.5-149.6-125.6 107.4 4.8 -1.4 20.5 15 15 X H - 0 0 0 -2,-0.5 3,-0.1 32,-0.3 6,-0.1 -0.186 10.3-143.2 -69.9 165.5 5.9 -0.5 17.0 16 16 X G > - 0 0 0 1,-0.3 3,-1.7 72,-0.2 71,-0.1 0.008 51.0 -11.0-106.4-151.8 8.0 2.5 16.0 17 17 X L T 3 S+ 0 0 59 1,-0.3 -1,-0.3 146,-0.1 35,-0.2 -0.210 127.6 10.8 -54.1 140.1 8.2 5.0 13.1 18 18 X T T 3 S+ 0 0 47 33,-2.4 -1,-0.3 1,-0.2 33,-0.2 0.135 107.2 129.1 76.2 -13.9 6.1 4.2 10.0 19 19 X G < + 0 0 3 -3,-1.7 2,-0.3 32,-0.4 -1,-0.2 0.071 31.5 159.0 -85.9-175.8 4.3 1.5 11.8 20 20 X T - 0 0 0 -3,-0.1 9,-0.3 27,-0.1 3,-0.2 -0.860 59.8 -89.0-179.1 168.0 0.9 0.2 12.8 21 21 X D S S+ 0 0 27 1,-0.3 8,-2.0 -2,-0.3 9,-0.4 0.924 116.6 10.9 -63.4 -41.3 -0.1 -3.4 13.9 22 22 X K E > S-G 28 0B 79 6,-0.3 3,-2.1 7,-0.1 -1,-0.3 -0.938 81.5-126.7-142.5 113.5 -0.6 -4.4 10.2 23 23 X Y E >> S-G 27 0B 40 4,-2.8 3,-2.3 -2,-0.4 4,-2.2 -0.449 98.1 -8.3 -61.4 124.7 0.5 -2.4 7.2 24 24 X A T 34 S- 0 0 70 126,-2.6 -1,-0.3 1,-0.3 127,-0.1 0.720 122.9 -73.2 56.0 26.0 -2.6 -2.0 4.9 25 25 X G T <4 S+ 0 0 38 -3,-2.1 -1,-0.3 125,-0.5 -2,-0.2 0.561 131.8 73.6 67.0 11.4 -4.3 -4.5 7.3 26 26 X V T <4 S+ 0 0 127 -3,-2.3 2,-0.7 1,-0.2 -2,-0.2 0.767 76.9 60.7-122.8 -49.2 -2.1 -7.2 5.7 27 27 X L E < S-G 23 0B 48 -4,-2.2 -4,-2.8 4,-0.0 -1,-0.2 -0.805 73.8-135.9 -99.6 110.3 1.6 -7.1 6.7 28 28 X E E -G 22 0B 45 -2,-0.7 3,-0.3 -6,-0.3 -6,-0.3 -0.373 1.8-148.6 -58.5 131.2 2.3 -7.6 10.4 29 29 X Y S S+ 0 0 9 -8,-2.0 2,-1.4 -9,-0.3 -1,-0.2 0.940 101.0 49.2 -60.8 -49.7 4.9 -5.2 11.8 30 30 X W S >> S- 0 0 5 -9,-0.4 3,-1.6 -17,-0.1 4,-0.8 -0.682 101.9-142.7 -91.6 80.3 6.0 -7.8 14.3 31 31 X Y T 34 - 0 0 79 -2,-1.4 -2,-0.1 259,-1.2 -4,-0.0 -0.258 67.9 -25.4 -65.2 112.7 6.2 -10.5 11.6 32 32 X G T 3> S+ 0 0 26 -2,-0.2 4,-1.8 1,-0.1 -1,-0.3 0.426 109.6 110.8 72.6 0.6 5.1 -13.9 13.0 33 33 X I H <> S+ 0 0 1 -3,-1.6 4,-2.6 2,-0.2 5,-0.2 0.900 70.6 49.9 -82.8 -41.7 5.9 -12.9 16.6 34 34 X Q H X S+ 0 0 51 -4,-0.8 4,-2.5 1,-0.2 5,-0.2 0.937 113.4 50.0 -58.6 -43.2 2.5 -12.5 18.1 35 35 X E H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 111.5 47.3 -60.7 -46.5 1.6 -16.0 16.7 36 36 X D H X S+ 0 0 32 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.948 113.2 47.6 -61.6 -48.5 4.8 -17.5 18.1 37 37 X L H ><>S+ 0 0 3 -4,-2.6 5,-2.4 1,-0.2 3,-0.6 0.912 111.8 50.3 -61.6 -42.9 4.4 -16.0 21.6 38 38 X Q H ><5S+ 0 0 95 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.873 105.6 56.1 -64.1 -37.0 0.7 -17.1 21.7 39 39 X Q H 3<5S+ 0 0 116 -4,-2.1 -37,-1.2 1,-0.3 -1,-0.2 0.765 107.1 52.3 -63.7 -24.9 1.6 -20.7 20.8 40 40 X R T <<5S- 0 0 65 -4,-1.1 -35,-2.7 -3,-0.6 -34,-0.4 0.138 130.3 -94.0-101.8 20.4 4.0 -20.6 23.8 41 41 X G T < 5S+ 0 0 23 -3,-1.7 -34,-0.2 1,-0.3 -3,-0.2 0.478 75.6 143.2 91.9 3.8 1.3 -19.5 26.2 42 42 X A < - 0 0 8 -5,-2.4 2,-0.7 -36,-0.2 -1,-0.3 -0.454 48.4-138.0 -77.8 150.0 1.7 -15.7 26.1 43 43 X T + 0 0 71 -38,-0.2 -32,-2.8 -34,-0.2 2,-0.4 -0.956 40.3 173.4-100.5 112.8 -1.1 -13.2 26.3 44 44 X V E -a 11 0A 4 -2,-0.7 2,-0.3 -34,-0.2 -32,-0.2 -0.991 20.4-174.4-136.3 129.0 0.0 -10.6 23.7 45 45 X Y E -a 12 0A 71 -34,-2.7 -32,-2.6 -2,-0.4 2,-0.6 -0.876 17.4-140.8-118.5 150.6 -1.5 -7.6 22.2 46 46 X V E -a 13 0A 21 -2,-0.3 -32,-0.2 -34,-0.2 -25,-0.1 -0.948 18.2-135.2-118.5 113.2 -0.1 -5.4 19.4 47 47 X A - 0 0 0 -34,-2.2 2,-0.4 -2,-0.6 -32,-0.3 -0.265 7.2-154.6 -63.1 149.9 -0.6 -1.7 19.7 48 48 X N + 0 0 47 -28,-0.2 2,-0.2 16,-0.1 -28,-0.1 -0.907 31.3 158.0-127.8 97.4 -1.7 0.4 16.6 49 49 X L - 0 0 3 -2,-0.4 106,-0.1 -33,-0.1 12,-0.1 -0.683 52.5 -66.6-114.3 169.7 -0.4 3.9 17.1 50 50 X S - 0 0 0 -2,-0.2 3,-0.2 1,-0.2 -31,-0.2 -0.354 38.4-147.6 -52.5 128.8 0.3 6.8 14.7 51 51 X G S S+ 0 0 1 1,-0.2 -33,-2.4 -33,-0.2 2,-0.4 0.753 90.5 39.8 -70.9 -22.3 3.2 5.8 12.5 52 52 X F S S+ 0 0 13 105,-0.3 107,-2.7 -35,-0.2 2,-0.3 -0.919 89.0 94.2-133.0 102.7 4.4 9.5 12.5 53 53 X Q - 0 0 17 -2,-0.4 2,-0.1 -3,-0.2 7,-0.1 -0.968 69.7 -90.9-167.5 166.4 4.1 11.5 15.7 54 54 X S - 0 0 19 -2,-0.3 7,-2.7 2,-0.2 8,-0.2 -0.388 32.8-128.8 -69.0 166.9 6.0 12.7 18.7 55 55 X D S S+ 0 0 1 5,-0.2 7,-2.0 6,-0.2 8,-0.4 0.791 91.6 53.2 -88.5 -33.0 5.7 10.5 21.8 56 56 X D S S+ 0 0 50 6,-0.1 5,-0.2 5,-0.1 -2,-0.2 -0.311 76.9 74.4 -88.8 179.4 4.7 13.3 24.1 57 57 X G S > S- 0 0 30 1,-0.1 3,-1.4 3,-0.1 6,-0.5 0.061 91.1 -81.6 96.6 154.1 1.8 15.8 23.5 58 58 X P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.838 133.6 35.5 -59.7 -32.4 -1.9 15.3 23.9 59 59 X N T 3 S+ 0 0 110 -3,-0.1 -2,-0.1 4,-0.1 -3,-0.1 0.229 98.7 117.5-101.5 10.1 -2.2 13.7 20.4 60 60 X G S <> S- 0 0 1 -3,-1.4 4,-1.6 1,-0.1 -5,-0.2 -0.096 80.9-101.9 -79.4 174.8 1.2 11.9 20.6 61 61 X R H > S+ 0 0 0 -7,-2.7 4,-2.6 -5,-0.2 -6,-0.2 0.800 115.7 62.6 -67.1 -30.4 2.0 8.2 20.6 62 62 X G H > S+ 0 0 0 -7,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.932 105.5 43.1 -62.6 -47.7 2.4 8.1 24.3 63 63 X E H > S+ 0 0 68 -6,-0.5 4,-2.3 -8,-0.4 -1,-0.2 0.871 113.4 54.2 -67.6 -34.6 -1.1 9.1 25.2 64 64 X Q H X S+ 0 0 42 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 110.7 45.4 -61.2 -44.6 -2.3 6.7 22.5 65 65 X L H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.908 110.1 54.2 -67.9 -39.7 -0.4 3.9 24.0 66 66 X L H X S+ 0 0 18 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.936 109.6 47.6 -57.9 -47.1 -1.7 4.8 27.5 67 67 X A H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.921 112.7 49.5 -60.6 -41.6 -5.3 4.6 26.3 68 68 X Y H X S+ 0 0 59 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.912 106.8 55.0 -65.2 -43.2 -4.6 1.3 24.6 69 69 X V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.926 105.9 52.8 -53.2 -46.9 -3.0 -0.1 27.8 70 70 X K H X S+ 0 0 117 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.896 108.7 49.6 -61.0 -37.2 -6.1 0.7 29.7 71 71 X T H X S+ 0 0 79 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.873 110.2 50.7 -69.0 -35.4 -8.2 -1.2 27.2 72 72 X V H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 6,-0.4 0.912 110.1 49.7 -67.3 -42.2 -5.9 -4.2 27.4 73 73 X L H X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 5,-0.4 0.914 111.7 48.7 -61.9 -42.0 -6.2 -4.2 31.2 74 74 X A H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.911 113.6 47.2 -63.5 -41.2 -10.0 -4.0 31.0 75 75 X A H < S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 122.6 32.5 -69.5 -36.9 -10.1 -6.9 28.5 76 76 X T H < S- 0 0 50 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.635 97.5-127.7 -94.4 -19.9 -7.8 -9.2 30.4 77 77 X G < + 0 0 65 -4,-2.0 -3,-0.2 1,-0.3 -4,-0.1 0.505 64.1 139.3 75.1 6.2 -8.6 -8.2 34.0 78 78 X A - 0 0 26 -6,-0.4 -1,-0.3 -5,-0.4 -2,-0.1 -0.314 50.9-147.1 -76.2 166.1 -4.9 -7.7 34.5 79 79 X T S S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.594 75.5 20.3-110.1 -16.7 -3.5 -4.8 36.5 80 80 X K - 0 0 47 -72,-0.1 2,-0.3 -7,-0.1 24,-0.3 -0.940 65.3-141.8-145.1 166.4 -0.2 -4.1 34.7 81 81 X V E - c 0 104A 0 22,-1.7 24,-3.0 -2,-0.3 25,-1.0 -0.920 15.8-127.4-128.7 158.0 1.4 -4.8 31.4 82 82 X N E -bc 11 106A 0 -72,-2.9 -70,-2.7 -2,-0.3 2,-0.5 -0.931 29.9-151.0 -99.4 115.2 4.9 -5.7 30.0 83 83 X L E -bc 12 107A 0 23,-2.5 25,-2.5 -2,-0.6 2,-0.5 -0.795 14.8-176.3 -93.0 128.6 5.8 -3.2 27.3 84 84 X V E -bc 13 108A 6 -72,-2.7 -70,-2.9 -2,-0.5 2,-0.4 -0.972 12.6-174.5-124.9 109.8 8.1 -4.4 24.5 85 85 X G E -bc 14 109A 0 23,-2.9 25,-2.8 -2,-0.5 2,-0.4 -0.903 15.9-153.0-114.9 137.6 9.0 -1.6 22.1 86 86 X H E > - c 0 110A 0 -72,-2.3 3,-2.4 -2,-0.4 25,-0.2 -0.896 66.0 -37.3-102.8 134.4 10.9 -1.6 18.8 87 87 X S T >> S+ 0 0 14 23,-2.8 3,-2.1 -2,-0.4 4,-0.6 -0.303 140.0 4.4 55.9-130.2 12.7 1.6 17.7 88 88 X Q H >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-0.9 0.783 122.1 75.3 -57.9 -25.5 10.5 4.6 18.6 89 89 X G H <> S+ 0 0 0 -3,-2.4 4,-2.0 1,-0.3 -1,-0.3 0.775 89.0 58.5 -57.0 -26.5 8.1 2.2 20.4 90 90 X G H <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.840 105.3 48.7 -70.0 -34.7 10.7 2.0 23.2 91 91 X L H < + 0 0 8 -4,-2.6 3,-2.1 -5,-0.2 4,-0.3 -0.484 68.6 159.6-136.4 61.1 1.3 5.6 34.5 101 101 X P G > S+ 0 0 19 0, 0.0 3,-1.1 0, 0.0 98,-0.1 0.788 71.4 62.8 -61.9 -26.3 3.9 3.7 36.5 102 102 X D G 3 S+ 0 0 86 1,-0.2 -5,-0.1 -3,-0.1 101,-0.1 0.653 101.1 53.3 -69.1 -17.9 1.2 1.7 38.3 103 103 X L G < S+ 0 0 24 -3,-2.1 -22,-1.7 -7,-0.2 2,-0.4 0.390 98.7 75.1 -97.3 0.6 0.1 0.2 35.0 104 104 X V E < +c 81 0A 0 -3,-1.1 -22,-0.2 -4,-0.3 3,-0.1 -0.949 41.5 174.9-123.4 134.3 3.5 -1.1 33.9 105 105 X A E S- 0 0 2 -24,-3.0 100,-2.1 -2,-0.4 2,-0.3 0.661 74.3 -0.5-102.1 -30.9 5.5 -4.1 35.2 106 106 X S E -cd 82 205A 0 -25,-1.0 -23,-2.5 98,-0.3 2,-0.4 -0.989 51.8-149.2-156.5 157.4 8.4 -3.9 32.7 107 107 X V E -cd 83 206A 0 98,-2.3 100,-2.5 -2,-0.3 2,-0.4 -0.988 16.2-178.3-131.3 123.6 9.8 -2.0 29.7 108 108 X T E -cd 84 207A 0 -25,-2.5 -23,-2.9 -2,-0.4 2,-0.4 -0.990 8.3-161.7-120.5 129.1 11.9 -3.7 27.1 109 109 X T E -cd 85 208A 0 98,-2.3 100,-2.0 -2,-0.4 2,-0.5 -0.945 4.7-166.1-118.1 135.7 13.4 -1.8 24.2 110 110 X I E S-cd 86 209A 0 -25,-2.8 -23,-2.8 -2,-0.4 100,-0.2 -0.962 77.8 -20.7-120.5 112.7 14.7 -3.3 21.0 111 111 X G S S+ 0 0 0 98,-2.4 -1,-0.2 -2,-0.5 99,-0.1 0.873 90.0 167.6 57.7 38.7 16.8 -1.0 18.8 112 112 X T - 0 0 0 97,-0.4 2,-2.1 160,-0.3 3,-0.2 -0.728 39.1-135.3 -91.8 128.7 15.4 2.0 20.4 113 113 X P > + 0 0 3 0, 0.0 3,-1.7 0, 0.0 159,-0.2 -0.484 36.5 163.1 -80.7 72.5 17.1 5.4 19.8 114 114 X H T 3 S+ 0 0 0 -2,-2.1 158,-0.1 157,-1.4 62,-0.1 0.798 85.1 35.7 -58.0 -29.3 17.1 6.6 23.4 115 115 X R T 3 S- 0 0 48 1,-0.4 -1,-0.3 156,-0.4 58,-0.2 0.148 121.7-111.9-107.6 16.8 19.8 9.1 22.3 116 116 X G < - 0 0 1 -3,-1.7 2,-0.4 155,-0.2 -1,-0.4 -0.205 35.9 -74.8 80.0-177.0 18.3 9.7 18.8 117 117 X S > - 0 0 9 50,-2.7 4,-1.9 150,-0.1 3,-0.4 -0.985 13.0-147.1-127.7 130.8 19.6 8.8 15.4 118 118 X E H > S+ 0 0 32 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.743 105.3 61.2 -61.6 -25.4 22.4 10.3 13.4 119 119 X F H > S+ 0 0 43 147,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.873 102.7 48.4 -71.2 -37.5 20.3 9.3 10.4 120 120 X A H > S+ 0 0 10 -3,-0.4 4,-2.6 47,-0.3 5,-0.3 0.897 109.7 53.3 -63.8 -40.3 17.5 11.6 11.6 121 121 X D H X S+ 0 0 25 -4,-1.9 4,-2.4 46,-0.2 -2,-0.2 0.923 109.7 49.6 -58.1 -44.4 20.0 14.3 12.1 122 122 X F H X S+ 0 0 69 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.951 111.7 45.7 -58.4 -52.0 21.1 13.8 8.4 123 123 X V H X S+ 0 0 52 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.911 113.7 49.1 -64.7 -42.4 17.6 13.9 7.0 124 124 X Q H X S+ 0 0 86 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.918 111.9 50.1 -58.5 -44.6 16.7 17.0 9.0 125 125 X G H < S+ 0 0 30 -4,-2.4 4,-0.4 -5,-0.3 3,-0.3 0.877 105.6 56.1 -62.5 -39.2 19.9 18.6 7.9 126 126 X V H >< S+ 0 0 80 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.934 103.5 54.5 -57.8 -46.8 19.2 17.8 4.2 127 127 X L H >< S+ 0 0 28 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.808 96.2 66.7 -60.5 -29.8 15.9 19.6 4.4 128 128 X A T 3< S+ 0 0 81 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.674 87.1 70.6 -65.8 -16.5 17.6 22.8 5.7 129 129 X Y T < S+ 0 0 204 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.454 77.8 84.3 -82.4 -1.3 19.3 23.1 2.2 130 130 X D X - 0 0 36 -3,-1.7 3,-1.5 -4,-0.1 6,-0.1 -0.882 65.1-166.4 -95.0 103.1 16.0 24.0 0.6 131 131 X P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.672 85.9 55.5 -68.5 -14.0 15.9 27.8 1.3 132 132 X T T 3 S- 0 0 92 -3,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.603 97.6-138.4 -84.7 -18.1 12.2 27.9 0.3 133 133 X G X> + 0 0 30 -3,-1.5 4,-1.4 -6,-0.2 3,-0.7 0.403 69.1 121.4 73.5 -1.8 11.2 25.2 2.8 134 134 X L H 3> + 0 0 106 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.835 62.8 63.3 -67.1 -31.3 8.9 23.7 0.2 135 135 X S H 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.883 102.9 50.6 -56.1 -41.7 10.7 20.3 0.4 136 136 X S H <> S+ 0 0 28 -3,-0.7 4,-2.2 -9,-0.2 -1,-0.2 0.935 112.7 45.1 -64.1 -45.6 9.7 20.0 4.0 137 137 X T H X S+ 0 0 94 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.925 117.4 43.6 -65.0 -45.4 6.0 20.7 3.2 138 138 X V H X S+ 0 0 94 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.935 116.4 44.4 -68.3 -47.4 5.8 18.5 0.2 139 139 X I H X S+ 0 0 89 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.894 111.0 55.4 -71.1 -33.4 7.7 15.5 1.6 140 140 X A H X S+ 0 0 10 -4,-2.2 4,-2.8 -5,-0.3 20,-0.3 0.928 108.1 49.2 -60.1 -44.3 5.7 15.8 4.9 141 141 X A H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 111.8 49.3 -59.4 -45.6 2.5 15.6 2.9 142 142 X F H X S+ 0 0 157 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.939 115.1 42.4 -58.4 -50.5 3.8 12.5 1.1 143 143 X V H X S+ 0 0 37 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 111.9 54.2 -68.9 -39.2 4.9 10.7 4.3 144 144 X N H X S+ 0 0 33 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.922 109.4 48.3 -60.9 -41.3 1.7 11.7 6.2 145 145 X V H X S+ 0 0 75 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.913 107.4 55.3 -66.4 -41.1 -0.4 10.2 3.4 146 146 X F H X S+ 0 0 82 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.923 108.6 50.3 -52.8 -43.8 1.7 7.0 3.4 147 147 X G H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 111.4 46.3 -62.1 -45.4 0.9 6.8 7.2 148 148 X I H < S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.927 115.0 46.8 -63.2 -44.8 -2.8 7.2 6.6 149 149 X L H < S+ 0 0 116 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 119.0 38.8 -68.5 -35.2 -2.9 4.7 3.8 150 150 X T H < S+ 0 0 22 -4,-2.2 -126,-2.6 -5,-0.2 -125,-0.5 0.715 87.1 105.7 -93.2 -22.8 -0.8 2.0 5.5 151 151 X S S >< S- 0 0 5 -4,-2.1 3,-1.8 -5,-0.3 -128,-0.1 -0.359 75.4-131.5 -52.7 133.0 -2.3 2.4 9.0 152 152 X S T 3 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.1 -129,-0.1 0.738 110.4 36.4 -61.2 -21.8 -4.6 -0.6 9.7 153 153 X S T 3 S- 0 0 67 2,-0.0 -1,-0.3 -5,-0.0 3,-0.2 0.195 113.2-115.3-112.3 10.9 -7.2 1.9 10.8 154 154 X N < - 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