==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-08 3CUI . COMPND 2 MOLECULE: EXO-BETA-1,4-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR D.A.KUNTZ,M.SAUL,D.R.ROSE . 314 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 3 0 1 0 1 1 2 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 A 0 0 71 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 140.3 43.1 48.5 45.1 2 2 A T + 0 0 100 1,-0.1 2,-0.3 307,-0.0 3,-0.1 0.268 360.0 42.3-120.8 1.2 40.2 46.2 45.9 3 3 A T S > S- 0 0 21 1,-0.1 4,-2.0 306,-0.1 5,-0.1 -0.960 82.6-117.6-140.9 162.4 37.6 48.8 45.6 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.853 117.7 57.7 -65.9 -33.6 36.8 51.7 43.2 5 5 A K H > S+ 0 0 63 30,-0.4 4,-3.2 2,-0.2 5,-0.2 0.944 106.2 48.1 -59.5 -48.4 37.2 54.0 46.2 6 6 A E H > S+ 0 0 86 29,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.904 111.7 50.8 -58.6 -41.6 40.8 52.7 46.7 7 7 A A H X S+ 0 0 5 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.948 115.6 40.1 -62.8 -48.0 41.5 53.1 43.0 8 8 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.6 0.926 114.9 52.2 -67.6 -47.0 40.3 56.7 42.9 9 9 A D H ><5S+ 0 0 71 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.938 110.9 48.7 -50.0 -52.1 41.8 57.6 46.3 10 10 A G H 3<5S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.2 51.4 -62.1 -30.8 45.2 56.2 45.0 11 11 A A H 3<5S- 0 0 30 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.499 113.5-117.9 -81.6 -6.9 44.8 58.2 41.8 12 12 A G T <<5S+ 0 0 65 -3,-1.6 2,-0.3 -4,-0.6 -3,-0.2 0.819 76.7 111.6 70.1 33.4 44.2 61.4 43.7 13 13 A R < - 0 0 40 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.815 68.2-102.9-132.2 170.2 40.7 61.9 42.2 14 14 A D E -a 269 0A 26 254,-2.6 256,-2.2 -2,-0.3 2,-0.4 -0.744 22.0-173.3 -93.2 141.2 37.1 61.7 43.2 15 15 A F E +a 270 0A 0 -2,-0.3 23,-2.6 254,-0.2 24,-1.0 -0.940 24.9 175.7-130.8 111.5 34.8 58.8 42.4 16 16 A G E -ab 271 39A 0 254,-2.3 256,-2.8 -2,-0.4 2,-0.3 -0.631 20.8-152.8-115.8 167.7 31.2 59.8 43.4 17 17 A F E -ab 272 40A 0 22,-1.4 24,-2.2 254,-0.2 2,-0.7 -0.981 26.1-112.4-137.1 154.4 27.6 58.5 43.4 18 18 A A E - b 0 41A 1 254,-1.4 2,-0.4 -2,-0.3 24,-0.2 -0.789 40.2-151.1 -83.0 115.9 24.1 60.0 43.3 19 19 A L E - b 0 42A 0 22,-3.1 24,-2.3 -2,-0.7 25,-0.5 -0.734 21.0-163.2 -94.7 135.3 22.5 59.2 46.6 20 20 A D > - 0 0 41 -2,-0.4 3,-1.9 22,-0.2 4,-0.3 -0.977 18.5-152.1-104.6 110.3 18.8 58.7 47.4 21 21 A P G > S+ 0 0 16 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.791 90.7 64.7 -63.2 -22.2 18.8 59.1 51.2 22 22 A N G > S+ 0 0 126 1,-0.3 3,-1.0 2,-0.2 4,-0.1 0.781 94.1 61.1 -65.5 -25.4 15.8 56.8 51.6 23 23 A R G X S+ 0 0 88 -3,-1.9 3,-1.9 1,-0.2 7,-0.4 0.572 79.7 85.1 -79.7 -6.9 17.8 53.9 50.2 24 24 A L G < S+ 0 0 11 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.743 80.9 64.5 -64.2 -21.1 20.3 54.2 53.2 25 25 A S G < S+ 0 0 115 -3,-1.0 2,-0.8 -4,-0.2 -1,-0.3 0.553 84.0 83.2 -78.6 -8.9 17.8 52.0 55.1 26 26 A E S <> S- 0 0 55 -3,-1.9 4,-2.4 1,-0.1 3,-0.4 -0.876 76.6-153.3 -93.4 108.4 18.6 49.2 52.5 27 27 A A H > S+ 0 0 78 -2,-0.8 4,-2.5 1,-0.2 -1,-0.1 0.781 88.5 53.4 -60.6 -34.5 21.8 47.8 54.0 28 28 A Q H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 110.8 48.3 -66.4 -41.4 23.3 46.4 50.8 29 29 A Y H > S+ 0 0 7 -3,-0.4 4,-2.7 -6,-0.2 -2,-0.2 0.958 114.0 46.8 -57.9 -50.6 22.9 49.8 49.1 30 30 A K H X S+ 0 0 81 -4,-2.4 4,-2.9 -7,-0.4 -2,-0.2 0.876 108.3 56.0 -61.4 -38.9 24.5 51.5 52.2 31 31 A A H X S+ 0 0 48 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.904 111.7 42.0 -62.6 -41.7 27.3 49.0 52.3 32 32 A I H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.925 114.3 52.1 -71.0 -43.1 28.3 49.7 48.7 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.918 111.6 47.9 -53.4 -46.4 27.8 53.5 49.2 34 34 A D H < S+ 0 0 53 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 122.6 30.4 -65.5 -39.7 30.1 53.4 52.2 35 35 A S H < S+ 0 0 52 -4,-1.6 -30,-0.4 -5,-0.2 -29,-0.3 0.636 116.8 48.2-100.8 -16.9 32.9 51.4 50.6 36 36 A E H < S+ 0 0 11 -4,-2.5 2,-0.3 -32,-0.1 -3,-0.1 0.525 101.9 52.3-109.0 -2.4 33.0 52.2 46.9 37 37 A F < - 0 0 0 -4,-0.7 -21,-0.2 -5,-0.3 -32,-0.1 -0.941 44.4-166.5-137.5 148.9 32.9 56.1 46.7 38 38 A N S S+ 0 0 17 -23,-2.6 38,-2.4 -2,-0.3 2,-0.3 0.261 81.0 46.7-115.3 11.7 34.8 59.0 48.1 39 39 A L E -bc 16 76A 0 -24,-1.0 -22,-1.4 36,-0.3 2,-0.4 -0.991 63.6-161.8-149.6 147.2 32.2 61.7 47.0 40 40 A V E -bc 17 77A 0 36,-2.7 38,-2.8 -2,-0.3 2,-0.3 -0.994 5.7-176.0-134.0 143.5 28.4 62.0 47.2 41 41 A V E -bc 18 78A 4 -24,-2.2 -22,-3.1 -2,-0.4 2,-0.6 -0.955 34.9-109.8-127.5 149.2 25.8 64.1 45.4 42 42 A A E -b 19 0A 0 36,-0.7 4,-0.2 -2,-0.3 -22,-0.2 -0.706 18.2-154.9 -77.3 121.1 22.0 64.2 46.1 43 43 A E S S- 0 0 27 -24,-2.3 -1,-0.2 -2,-0.6 -23,-0.1 0.889 87.2 -20.6 -58.5 -39.6 20.2 62.6 43.2 44 44 A N S > S+ 0 0 65 -25,-0.5 3,-1.8 -3,-0.1 6,-0.4 0.508 113.7 92.1-141.3 -24.9 17.1 64.7 44.1 45 45 A A T 3 S+ 0 0 8 -26,-0.4 18,-0.5 1,-0.3 19,-0.1 0.595 92.1 44.6 -68.0 -14.7 17.2 65.9 47.7 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.284 87.5 110.7-111.9 12.7 18.8 69.3 47.0 47 47 A K S <> S- 0 0 11 -3,-1.8 4,-1.1 1,-0.1 5,-0.2 -0.282 84.0-102.2 -77.4 167.1 16.8 70.3 44.0 48 48 A W H >> S+ 0 0 8 33,-0.3 4,-3.0 38,-0.3 3,-0.9 0.927 120.9 52.2 -62.7 -44.5 14.3 73.2 44.2 49 49 A D H 34 S+ 0 0 62 38,-1.6 -1,-0.2 1,-0.2 39,-0.1 0.878 113.7 45.9 -56.6 -35.6 11.2 71.0 44.4 50 50 A A H 34 S+ 0 0 27 -6,-0.4 12,-0.2 -3,-0.2 -1,-0.2 0.611 123.0 33.1 -82.4 -16.7 12.8 69.1 47.4 51 51 A T H << S+ 0 0 0 -4,-1.1 8,-2.2 -3,-0.9 -2,-0.2 0.698 125.8 28.2-115.3 -27.4 14.0 72.2 49.2 52 52 A E < + 0 0 0 -4,-3.0 6,-0.2 6,-0.2 -1,-0.1 -0.575 58.9 163.9-138.3 71.0 11.5 75.1 48.6 53 53 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.721 75.0 21.5 -68.1 -25.0 8.1 73.6 48.1 54 54 A S B > S-I 57 0B 59 3,-1.0 3,-2.2 37,-0.1 2,-0.1 -0.926 112.5 -66.0-135.0 165.9 6.3 76.9 48.7 55 55 A Q T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.252 115.1 -13.8 -62.7 122.8 7.7 80.4 48.5 56 56 A N T 3 S+ 0 0 88 1,-0.2 2,-0.5 47,-0.1 -1,-0.3 0.731 106.0 116.4 56.4 29.3 10.3 81.0 51.2 57 57 A S B < -I 54 0B 62 -3,-2.2 -3,-1.0 2,-0.0 2,-0.3 -0.981 52.4-157.5-125.5 115.2 9.3 77.9 53.1 58 58 A F - 0 0 52 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.698 19.7-164.8-105.9 145.7 12.2 75.4 53.1 59 59 A S + 0 0 49 -8,-2.2 4,-0.3 -2,-0.3 3,-0.3 -0.810 22.3 159.2-126.3 86.8 12.3 71.6 53.6 60 60 A F > + 0 0 31 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.402 41.9 101.2 -94.1 2.6 15.9 70.7 54.3 61 61 A G H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 87.4 41.6 -54.3 -49.5 15.4 67.3 56.0 62 62 A A H > S+ 0 0 45 -3,-0.3 4,-1.6 -12,-0.2 -1,-0.2 0.915 117.3 46.7 -68.5 -42.7 16.3 65.2 53.0 63 63 A G H > S+ 0 0 0 -18,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.890 111.3 52.7 -65.0 -39.0 19.2 67.3 51.9 64 64 A D H X S+ 0 0 58 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.868 104.7 56.5 -61.7 -38.6 20.5 67.4 55.5 65 65 A R H X S+ 0 0 108 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.908 109.4 45.5 -61.3 -40.3 20.3 63.6 55.5 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.917 113.7 48.9 -67.1 -46.7 22.6 63.5 52.5 67 67 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.916 111.5 49.4 -60.4 -42.5 25.0 66.0 54.0 68 68 A S H X S+ 0 0 57 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.901 108.0 54.4 -65.0 -38.7 25.1 64.1 57.3 69 69 A Y H X S+ 0 0 7 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.937 109.3 48.0 -56.7 -48.7 25.8 60.9 55.4 70 70 A A H X>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 4,-0.8 0.920 114.7 45.2 -57.9 -46.7 28.8 62.6 53.7 71 71 A A H ><5S+ 0 0 79 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.918 112.4 51.0 -67.3 -38.7 30.2 64.0 57.0 72 72 A D H 3<5S+ 0 0 133 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 118.7 36.7 -69.3 -28.7 29.7 60.7 58.8 73 73 A T H 3<5S- 0 0 45 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.370 110.4-116.0-105.9 0.1 31.5 58.6 56.1 74 74 A G T <<5 + 0 0 69 -4,-0.8 2,-0.3 -3,-0.5 -3,-0.2 0.882 63.3 146.0 68.1 38.5 34.2 61.2 55.3 75 75 A K < - 0 0 14 -5,-2.4 -36,-0.3 -6,-0.2 -1,-0.2 -0.825 54.7-106.1-104.7 148.2 33.1 61.8 51.7 76 76 A E E -c 39 0A 61 -38,-2.4 -36,-2.7 -2,-0.3 2,-0.5 -0.414 35.5-135.4 -63.7 147.2 33.3 65.0 49.7 77 77 A L E -c 40 0A 6 41,-0.4 43,-2.5 -38,-0.2 44,-0.8 -0.936 16.6-165.9-114.9 125.7 29.8 66.5 49.3 78 78 A Y E -cd 41 121A 5 -38,-2.8 -36,-0.7 -2,-0.5 2,-0.5 -0.912 16.5-134.5-111.1 133.5 28.7 67.9 45.9 79 79 A G E - d 0 122A 0 42,-3.5 44,-3.1 -2,-0.4 2,-0.4 -0.787 14.3-149.9 -96.7 128.5 25.7 70.1 45.7 80 80 A H E - d 0 123A 2 -2,-0.5 -34,-0.5 1,-0.2 -38,-0.1 -0.977 53.9 -17.5-140.7 118.1 23.0 69.6 42.9 81 81 A T E + 0 0 2 42,-0.6 -33,-0.3 -2,-0.4 -1,-0.2 0.656 34.6 168.1-153.4 146.6 21.5 72.0 41.9 82 82 A L E S+ 0 0 1 41,-2.2 2,-0.5 1,-0.2 42,-0.2 0.917 87.7 26.8 -78.5 -44.4 20.5 75.6 42.7 83 83 A V E S+ d 0 125A 1 41,-1.5 43,-2.4 40,-0.4 2,-0.3 -0.973 72.3 141.0-129.3 117.0 19.0 76.8 39.4 84 84 A W E - d 0 126A 29 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.974 48.4-135.0-156.1 138.9 17.4 74.4 36.9 85 85 A H S S+ 0 0 29 41,-0.5 3,-0.5 -2,-0.3 2,-0.2 0.703 87.8 71.8 -70.7 -22.6 14.3 74.5 34.6 86 86 A S S S+ 0 0 48 1,-0.2 -38,-0.3 53,-0.1 -2,-0.1 -0.604 96.5 22.6 -94.3 158.2 13.2 71.0 35.6 87 87 A Q S S+ 0 0 63 1,-0.2 -38,-1.6 -2,-0.2 -1,-0.2 0.870 85.3 149.4 53.5 39.5 11.7 70.0 39.0 88 88 A L - 0 0 8 -3,-0.5 -1,-0.2 -40,-0.2 5,-0.1 -0.913 49.0-116.3-104.7 119.1 10.7 73.6 39.5 89 89 A P >> - 0 0 18 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.154 18.1-118.6 -58.4 152.0 7.6 74.1 41.6 90 90 A D H 3> S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.829 110.6 65.7 -58.3 -35.9 4.5 75.7 40.1 91 91 A W H 34 S+ 0 0 43 -38,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.877 104.9 45.2 -56.8 -34.9 4.6 78.6 42.6 92 92 A A H X4 S+ 0 0 0 -3,-1.0 3,-1.5 1,-0.2 -1,-0.2 0.914 109.2 54.0 -75.0 -42.0 7.9 79.7 41.0 93 93 A K H 3< S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.762 102.9 60.5 -58.7 -27.2 6.6 79.2 37.4 94 94 A N T 3< S+ 0 0 124 -4,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.562 91.3 85.4 -80.9 -9.6 3.6 81.5 38.4 95 95 A L < - 0 0 36 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.0 -0.585 59.0-173.3 -89.9 155.4 5.9 84.4 39.2 96 96 A N >> - 0 0 101 -2,-0.2 3,-1.1 49,-0.0 4,-1.1 -0.921 41.4 -5.1-140.5 166.3 7.2 86.9 36.6 97 97 A G H >> S- 0 0 40 -2,-0.3 4,-2.4 47,-0.3 3,-0.5 -0.105 125.1 -7.5 55.2-139.3 9.6 89.8 36.3 98 98 A S H 3> S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.796 134.3 59.8 -63.0 -28.7 11.4 91.1 39.4 99 99 A A H <> S+ 0 0 47 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.885 109.2 43.7 -67.4 -38.6 9.2 88.8 41.6 100 100 A F H < S+ 0 0 72 -4,-2.6 3,-1.1 -5,-0.3 -2,-0.2 0.927 108.8 54.6 -63.5 -42.7 23.7 79.5 53.2 114 114 A H H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.4 34.3 -58.6 -41.6 22.0 76.5 54.7 115 115 A F H >X S+ 0 0 0 -4,-1.8 3,-2.3 -5,-0.1 4,-2.3 0.309 84.2 140.2 -96.8 8.0 24.7 74.1 53.4 116 116 A E T << S+ 0 0 80 -3,-1.1 4,-0.1 -4,-0.5 -3,-0.1 -0.251 73.9 16.1 -58.5 133.3 27.7 76.4 53.7 117 117 A G T 34 S+ 0 0 75 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.339 125.2 61.2 83.6 -7.0 30.8 74.7 55.0 118 118 A K T <4 S+ 0 0 133 -3,-2.3 2,-0.5 1,-0.2 -41,-0.4 0.728 91.7 61.5-109.9 -56.7 29.3 71.3 54.2 119 119 A V < - 0 0 4 -4,-2.3 -2,-0.5 -7,-0.2 -1,-0.2 -0.650 63.0-170.7 -70.8 123.0 28.8 71.4 50.4 120 120 A A + 0 0 38 -43,-2.5 45,-2.6 -2,-0.5 2,-0.3 0.765 69.6 17.1 -86.2 -27.6 32.2 71.8 48.8 121 121 A S E -de 78 165A 4 -44,-0.8 -42,-3.5 43,-0.2 2,-0.4 -0.993 68.7-152.6-146.6 143.0 31.0 72.5 45.2 122 122 A W E -de 79 166A 0 43,-2.8 45,-3.4 -2,-0.3 2,-1.4 -0.974 22.1-137.8-120.2 138.2 27.6 73.5 43.7 123 123 A D E +de 80 167A 2 -44,-3.1 -41,-2.2 -2,-0.4 -42,-0.6 -0.764 35.1 176.4 -74.1 92.6 25.9 73.0 40.4 124 124 A V E + 0 0 0 43,-2.2 -41,-1.5 -2,-1.4 2,-0.4 0.938 67.8 21.2 -70.1 -45.8 24.8 76.7 40.5 125 125 A V E S-de 83 168A 0 42,-1.1 44,-2.2 -3,-0.2 2,-0.4 -0.991 75.6-165.1-125.4 134.8 23.2 76.5 37.0 126 126 A N E -de 84 169A 3 -43,-2.4 -41,-0.5 -2,-0.4 44,-0.2 -0.967 63.2 -6.8-121.8 131.2 22.1 73.3 35.3 127 127 A E + 0 0 21 42,-2.5 -1,-0.2 -2,-0.4 43,-0.2 0.874 69.8 153.2 60.7 46.0 21.2 72.6 31.7 128 128 A A + 0 0 0 41,-0.4 8,-2.7 -3,-0.1 2,-0.2 0.661 50.5 71.4 -77.4 -18.9 21.3 76.2 30.4 129 129 A F B S-J 135 0C 6 6,-0.3 2,-0.4 42,-0.1 6,-0.3 -0.482 72.2-124.6-107.2 168.9 22.1 75.4 26.8 130 130 A A > - 0 0 20 4,-2.5 3,-2.4 -2,-0.2 52,-0.1 -0.894 28.8-106.7-112.8 141.1 20.4 73.8 23.8 131 131 A D T 3 S+ 0 0 91 -2,-0.4 42,-0.1 1,-0.3 41,-0.1 -0.455 114.2 31.7 -55.4 130.8 21.4 70.9 21.6 132 132 A G T 3 S- 0 0 69 -2,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.382 130.1 -69.8 94.0 -1.7 22.5 72.6 18.4 133 133 A G S < S+ 0 0 25 -3,-2.4 46,-0.2 1,-0.2 45,-0.1 -0.052 91.0 57.0 104.9 156.5 23.8 75.7 20.2 134 134 A G S S- 0 0 32 44,-0.4 -4,-2.5 45,-0.1 -1,-0.2 -0.255 89.5 -28.6 82.6-170.6 22.5 78.7 22.0 135 135 A R B S-J 129 0C 48 -6,-0.3 -6,-0.3 1,-0.1 -7,-0.1 -0.495 71.5 -89.5 -86.0 149.6 20.3 78.9 25.1 136 136 A R - 0 0 23 -8,-2.7 3,-0.3 -2,-0.2 -6,-0.1 -0.257 31.6-151.0 -51.9 140.0 17.7 76.3 26.2 137 137 A Q S S+ 0 0 154 1,-0.2 -1,-0.1 -8,-0.1 -7,-0.0 0.389 85.4 50.0-102.2 -4.3 14.2 77.0 24.8 138 138 A D S S+ 0 0 97 5,-0.0 2,-0.5 4,-0.0 -1,-0.2 -0.162 80.6 121.3-126.0 40.5 11.9 75.5 27.4 139 139 A S > - 0 0 3 -3,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.915 54.0-151.8-113.3 127.7 13.3 77.2 30.6 140 140 A A H > S+ 0 0 12 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.856 101.9 52.5 -59.0 -34.3 11.4 79.4 33.0 141 141 A F H >>S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.7 0.955 112.4 42.1 -69.3 -46.7 14.7 81.2 33.8 142 142 A Q H >5S+ 0 0 28 3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.923 118.7 46.5 -63.8 -43.5 15.6 81.9 30.2 143 143 A Q H <5S+ 0 0 134 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 121.9 33.6 -70.5 -35.4 12.0 82.9 29.3 144 144 A K H <5S+ 0 0 52 -4,-2.2 -47,-0.3 -5,-0.2 -1,-0.2 0.757 134.9 20.5 -93.6 -27.3 11.4 85.1 32.3 145 145 A L H <5S- 0 0 43 -4,-2.3 3,-0.5 -5,-0.3 -3,-0.2 0.589 89.7-150.9-119.8 -19.4 14.9 86.6 32.9 146 146 A G ><< - 0 0 24 -4,-1.6 3,-1.7 -5,-0.7 4,-0.2 -0.215 55.0 -25.0 72.1-164.8 16.8 86.2 29.6 147 147 A N T > S+ 0 0 106 1,-0.3 3,-1.0 2,-0.1 4,-0.4 0.774 125.4 64.9 -56.1 -35.5 20.6 85.9 29.2 148 148 A G T 3> S+ 0 0 43 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.520 75.0 87.5 -69.7 -7.6 21.6 87.5 32.4 149 149 A Y H <> S+ 0 0 6 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.828 83.8 57.4 -66.3 -31.3 20.1 85.0 34.9 150 150 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 -4,-0.2 -1,-0.2 0.969 109.4 43.6 -64.4 -51.7 23.2 82.8 34.8 151 151 A E H > S+ 0 0 47 -4,-0.4 4,-2.8 1,-0.2 5,-0.3 0.919 112.9 53.9 -58.8 -41.3 25.5 85.6 36.0 152 152 A T H X S+ 0 0 42 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.948 109.6 47.6 -56.7 -46.9 22.9 86.7 38.5 153 153 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 112.6 48.0 -63.5 -45.2 22.8 83.2 40.0 154 154 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.920 112.5 48.0 -62.3 -45.0 26.6 82.8 40.2 155 155 A R H X S+ 0 0 112 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.905 113.0 48.9 -63.1 -40.2 27.1 86.2 41.8 156 156 A A H X S+ 0 0 13 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.892 109.7 51.7 -66.3 -37.3 24.3 85.4 44.4 157 157 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.930 112.2 46.1 -65.0 -42.1 25.9 82.0 45.1 158 158 A R H < S+ 0 0 56 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 108.6 55.8 -68.3 -35.8 29.3 83.6 45.8 159 159 A A H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.886 115.8 38.8 -62.3 -36.4 27.7 86.3 47.9 160 160 A A H < S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.899 129.7 27.6 -78.7 -43.7 26.2 83.6 50.1 161 161 A D < - 0 0 2 -4,-2.8 -1,-0.3 -5,-0.2 3,-0.1 -0.884 65.5-172.2-126.9 95.6 29.1 81.2 50.1 162 162 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.702 83.3 31.3 -62.2 -20.9 32.5 82.9 49.6 163 163 A T S S+ 0 0 117 2,-0.1 -5,-0.1 -42,-0.0 3,-0.1 0.632 83.4 111.5-116.5 -17.4 34.5 79.7 49.3 164 164 A A S S- 0 0 4 -7,-0.2 2,-0.5 -3,-0.1 -43,-0.2 -0.249 75.1-108.3 -60.3 147.1 32.4 76.9 47.6 165 165 A K E -e 121 0A 95 -45,-2.6 -43,-2.8 33,-0.1 2,-0.6 -0.641 34.4-146.1 -73.1 125.2 33.5 75.9 44.1 166 166 A L E -e 122 0A 1 -2,-0.5 32,-3.1 -45,-0.2 33,-1.5 -0.866 21.9-175.3-104.9 114.9 30.8 77.2 41.8 167 167 A a E -ef 123 199A 1 -45,-3.4 -43,-2.2 -2,-0.6 -42,-1.1 -0.799 25.2-148.1-111.3 151.2 30.0 75.0 38.7 168 168 A I E -ef 125 200A 0 31,-1.7 33,-2.9 -2,-0.3 2,-0.3 -0.947 27.1-163.4-108.3 138.7 27.9 75.2 35.6 169 169 A N E +ef 126 201A 0 -44,-2.2 -42,-2.5 -2,-0.4 -41,-0.4 -0.931 16.1 155.4-127.7 143.5 26.7 71.7 34.5 170 170 A D E - f 0 202A 0 31,-1.8 33,-3.0 -2,-0.3 34,-0.3 -0.983 28.2-127.7-158.5 170.0 25.2 70.3 31.3 171 171 A Y S S+ 0 0 58 -2,-0.3 -42,-0.1 31,-0.2 30,-0.0 -0.776 85.2 34.6-119.9 167.0 24.7 67.3 29.1 172 172 A N S S+ 0 0 65 -2,-0.3 8,-0.3 33,-0.1 7,-0.2 0.788 91.8 102.3 54.9 29.4 25.4 66.5 25.4 173 173 A V + 0 0 0 -3,-0.2 -1,-0.1 6,-0.1 4,-0.1 0.099 43.4 98.5-121.0 16.8 28.5 68.8 25.9 174 174 A E S S+ 0 0 4 2,-0.1 44,-0.2 44,-0.0 45,-0.2 0.897 82.0 49.7 -76.1 -37.5 31.0 66.0 26.2 175 175 A G S S- 0 0 8 43,-0.1 2,-0.8 42,-0.1 5,-0.2 -0.436 104.0 -93.1 -87.7 170.6 32.2 66.3 22.6 176 176 A I S S+ 0 0 55 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.791 74.3 129.4 -85.2 110.5 33.1 69.5 20.8 177 177 A N S > S- 0 0 59 -2,-0.8 4,-2.7 -4,-0.1 5,-0.2 -0.872 75.2 -76.7-152.9-179.0 29.9 70.6 19.2 178 178 A A H > S+ 0 0 44 -2,-0.3 4,-1.9 1,-0.2 -44,-0.4 0.885 127.8 49.8 -59.6 -38.1 27.6 73.7 19.0 179 179 A K H > S+ 0 0 2 2,-0.2 4,-2.1 -46,-0.2 -1,-0.2 0.955 113.5 42.8 -66.6 -51.2 26.2 73.1 22.5 180 180 A S H > S+ 0 0 0 -8,-0.3 4,-2.8 -5,-0.2 -1,-0.2 0.823 111.6 57.2 -66.1 -29.0 29.7 72.8 24.2 181 181 A N H X S+ 0 0 61 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.893 106.5 48.4 -65.1 -39.7 30.9 75.7 22.1 182 182 A S H X S+ 0 0 28 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.925 113.9 46.9 -63.6 -44.0 28.1 77.9 23.5 183 183 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 111.0 52.0 -61.5 -45.5 29.0 76.7 27.0 184 184 A Y H X S+ 0 0 51 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.916 106.5 54.0 -56.8 -45.8 32.7 77.3 26.3 185 185 A D H X S+ 0 0 104 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 110.3 46.7 -57.1 -43.9 32.0 80.9 25.2 186 186 A L H X S+ 0 0 14 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.927 111.6 49.7 -66.3 -45.4 30.2 81.6 28.5 187 187 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.943 112.4 47.9 -58.8 -45.8 32.9 80.2 30.6 188 188 A K H X S+ 0 0 118 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.918 113.4 48.7 -61.8 -42.7 35.5 82.2 28.8 189 189 A D H X S+ 0 0 69 -4,-2.4 4,-2.1 -5,-0.2 6,-0.2 0.930 111.0 49.2 -61.7 -47.4 33.4 85.3 29.2 190 190 A F H X>S+ 0 0 6 -4,-3.0 5,-2.4 1,-0.2 4,-0.8 0.931 113.0 46.4 -60.7 -46.1 32.8 84.8 32.9 191 191 A K H ><5S+ 0 0 73 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.920 111.0 53.5 -64.0 -41.0 36.5 84.2 33.6 192 192 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.1 38.3 -59.0 -40.6 37.4 87.3 31.5 193 193 A R H 3<5S- 0 0 113 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.430 113.9-112.6 -93.9 -0.9 35.0 89.6 33.5 194 194 A G T <<5 + 0 0 54 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.760 55.9 162.0 74.1 25.3 35.7 88.0 36.9 195 195 A V < - 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