==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-99 1CZ1 . COMPND 2 MOLECULE: PROTEIN (EXO-B-(1,3)-GLUCANASE); . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR S.M.CUTFIELD,G.J.DAVIES,G.MURSHUDOV,B.F.ANDERSON, . 394 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 2 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 . 19 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 0 0 1 0 0 0 0 1 0 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 7 A A 0 0 69 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -2.1 30.5 12.8 68.0 2 8 A W - 0 0 51 5,-0.0 2,-0.7 177,-0.0 3,-0.1 -0.981 360.0-140.6-155.2 143.2 31.8 15.7 70.0 3 9 A D > - 0 0 58 -2,-0.3 4,-2.9 1,-0.1 0, 0.0 -0.913 14.4-172.1-108.7 102.6 31.9 16.8 73.7 4 10 A Y T 4 S+ 0 0 16 -2,-0.7 278,-0.2 1,-0.2 -1,-0.1 0.680 84.0 52.3 -68.6 -21.1 31.4 20.6 73.7 5 11 A D T 4 S+ 0 0 116 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.910 124.7 21.3 -78.2 -43.9 32.1 20.8 77.4 6 12 A N T 4 S+ 0 0 125 2,-0.0 2,-0.2 346,-0.0 -2,-0.2 0.623 110.8 72.4-101.3 -17.4 35.4 18.9 77.4 7 13 A N < - 0 0 68 -4,-2.9 2,-0.5 346,-0.0 -5,-0.0 -0.627 64.4-142.5-102.1 161.1 36.8 19.1 73.9 8 14 A V - 0 0 34 -2,-0.2 2,-0.4 2,-0.0 345,-0.2 -0.985 16.8-129.3-123.2 127.5 38.3 22.1 72.1 9 15 A I E -a 353 0A 0 343,-2.6 345,-2.8 -2,-0.5 2,-0.5 -0.603 24.5-179.7 -73.3 129.0 37.7 22.7 68.4 10 16 A R E +a 354 0A 56 -2,-0.4 73,-2.9 343,-0.2 74,-1.1 -0.895 33.4 135.0-130.2 95.2 41.0 23.2 66.6 11 17 A G E -ab 355 84A 0 343,-2.4 345,-2.6 -2,-0.5 2,-0.3 -0.747 46.5-133.9-139.9-178.8 39.9 23.8 63.0 12 18 A V E -ab 356 85A 0 72,-1.6 74,-1.7 343,-0.3 2,-0.3 -0.980 26.3-119.6-138.6 150.6 40.0 25.6 59.7 13 19 A N E - b 0 86A 0 343,-2.8 346,-2.4 -2,-0.3 2,-0.8 -0.675 15.0-139.9 -84.5 145.8 37.3 26.9 57.4 14 20 A L > + 0 0 1 72,-2.6 3,-0.7 -2,-0.3 4,-0.4 -0.599 44.5 169.6-100.7 66.9 37.3 25.4 53.8 15 21 A G T 3 + 0 0 1 -2,-0.8 345,-0.2 1,-0.2 5,-0.1 -0.361 48.8 33.0 -79.2 162.3 36.5 28.8 52.4 16 22 A G T 3 S+ 0 0 2 3,-0.5 -1,-0.2 124,-0.1 5,-0.1 0.451 95.7 95.5 78.8 0.9 36.6 29.8 48.7 17 23 A W S < S+ 0 0 0 -3,-0.7 -2,-0.1 71,-0.1 3,-0.1 0.964 97.8 8.6 -90.5 -63.3 35.5 26.3 47.7 18 24 A F S S+ 0 0 2 70,-0.5 2,-0.4 -4,-0.4 72,-0.4 0.465 133.5 47.9 -98.6 -7.8 31.7 26.3 47.2 19 25 A V S S- 0 0 3 70,-0.1 -3,-0.5 69,-0.1 2,-0.3 -0.970 89.2-131.6-132.6 113.6 31.2 30.0 47.6 20 26 A L - 0 0 0 -2,-0.4 25,-0.4 -3,-0.1 122,-0.2 -0.519 21.4-172.3 -71.7 134.1 33.6 32.1 45.5 21 27 A E >> - 0 0 8 -2,-0.3 4,-1.9 -5,-0.1 3,-1.4 -0.985 19.2-144.2-125.5 117.4 35.4 34.9 47.2 22 28 A P T 34 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 6,-0.1 0.829 98.3 52.1 -53.4 -39.3 37.4 37.2 45.0 23 29 A Y T 34 S+ 0 0 13 274,-0.5 340,-0.3 1,-0.2 339,-0.1 0.781 111.1 48.3 -71.3 -23.1 40.2 37.8 47.5 24 30 A M T <4 S+ 0 0 0 -3,-1.4 338,-2.6 1,-0.2 339,-0.2 0.855 128.8 19.4 -83.7 -38.5 40.7 34.1 48.1 25 31 A T >X + 0 0 0 -4,-1.9 3,-1.5 336,-0.2 4,-0.5 -0.607 69.0 162.0-129.9 71.8 40.9 33.0 44.4 26 32 A P H >> + 0 0 2 0, 0.0 4,-2.9 0, 0.0 3,-1.3 0.802 66.6 74.3 -64.6 -23.1 41.6 36.2 42.5 27 33 A S H 34 S+ 0 0 55 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.756 92.1 54.3 -62.4 -27.5 42.7 34.2 39.4 28 34 A L H <4 S+ 0 0 32 -3,-1.5 -1,-0.3 1,-0.1 4,-0.1 0.695 118.1 35.7 -78.0 -15.7 39.1 33.3 38.6 29 35 A F H X< S+ 0 0 0 -3,-1.3 3,-1.8 -4,-0.5 -2,-0.2 0.782 99.7 75.2-104.7 -32.0 38.2 37.1 38.6 30 36 A E G >< S+ 0 0 66 -4,-2.9 3,-2.3 1,-0.3 -3,-0.1 0.754 80.2 71.2 -56.4 -30.7 41.4 38.7 37.1 31 37 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.771 93.5 58.8 -59.8 -23.9 40.7 37.6 33.5 32 38 A F G < S+ 0 0 49 -3,-1.8 2,-0.3 10,-0.1 8,-0.2 0.462 83.0 105.5 -82.7 -4.7 37.8 40.2 33.5 33 39 A Q < - 0 0 38 -3,-2.3 2,-0.7 -4,-0.2 5,-0.2 -0.620 63.0-149.1 -75.9 140.5 40.2 43.0 34.3 34 40 A N B > -I 37 0B 115 3,-2.4 3,-2.5 -2,-0.3 2,-0.5 -0.903 62.8 -61.1-111.9 94.5 41.0 45.3 31.3 35 41 A G T 3 S- 0 0 61 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.535 119.3 -20.3 67.8-116.1 44.6 46.5 32.0 36 42 A N T 3 S+ 0 0 163 -2,-0.5 2,-0.6 -3,-0.1 -1,-0.3 0.322 114.1 109.5-103.5 3.4 44.3 48.3 35.3 37 43 A D B < +I 34 0B 83 -3,-2.5 -3,-2.4 1,-0.1 3,-0.3 -0.749 37.0 173.7 -86.9 118.1 40.6 48.8 34.9 38 44 A Q > + 0 0 49 -2,-0.6 3,-1.7 -5,-0.2 -1,-0.1 0.289 51.4 103.8-104.1 5.0 38.6 46.7 37.4 39 45 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.782 82.4 46.9 -62.9 -25.3 35.2 48.2 36.5 40 46 A G T 3 S+ 0 0 45 -3,-0.3 -1,-0.3 -8,-0.2 -2,-0.1 0.308 82.5 113.9 -98.5 8.4 34.2 45.1 34.5 41 47 A V S < S- 0 0 5 -3,-1.7 -11,-0.1 1,-0.0 -12,-0.1 -0.710 76.8-113.9 -81.6 127.2 35.2 42.5 37.0 42 48 A P - 0 0 8 0, 0.0 -10,-0.1 0, 0.0 -2,-0.1 -0.399 23.3-147.9 -55.3 137.2 32.2 40.5 38.4 43 49 A V + 0 0 34 258,-0.1 258,-0.5 101,-0.1 2,-0.3 0.547 68.4 6.3 -92.3 -8.4 31.9 41.5 42.1 44 50 A D S > S- 0 0 0 -23,-0.1 4,-2.5 256,-0.1 5,-0.2 -0.944 85.3 -87.5-158.3 176.9 30.5 38.2 43.4 45 51 A E H > S+ 0 0 1 94,-0.5 4,-2.8 -25,-0.4 5,-0.3 0.866 121.1 59.6 -66.1 -32.5 29.6 34.7 42.4 46 52 A Y H > S+ 0 0 48 96,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.968 114.4 35.2 -56.5 -54.7 26.1 35.8 41.3 47 53 A H H > S+ 0 0 67 95,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.812 114.5 57.3 -71.1 -31.1 27.6 38.1 38.7 48 54 A W H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.957 111.9 41.6 -65.2 -47.3 30.6 35.9 37.8 49 55 A T H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 8,-0.2 0.877 115.0 51.7 -67.7 -32.8 28.3 33.0 36.9 50 56 A Q H < S+ 0 0 105 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.893 110.7 47.8 -70.1 -41.8 25.9 35.4 35.1 51 57 A T H < S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 116.8 42.3 -64.7 -41.4 28.7 36.9 33.0 52 58 A L H X S- 0 0 46 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.812 105.5-134.9 -77.5 -30.9 30.1 33.6 32.1 53 59 A G H X - 0 0 31 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.007 34.5 -70.5 88.3 159.2 26.8 31.9 31.4 54 60 A K H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 127.5 50.8 -55.2 -47.5 25.9 28.4 32.6 55 61 A E H > S+ 0 0 179 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 116.4 37.5 -61.8 -48.8 28.2 26.4 30.3 56 62 A A H X S+ 0 0 20 -4,-0.5 4,-2.6 2,-0.2 5,-0.3 0.892 115.3 55.0 -73.0 -36.1 31.5 28.3 31.0 57 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -8,-0.2 5,-0.2 0.941 110.8 45.4 -61.1 -45.7 30.6 28.8 34.7 58 64 A L H X S+ 0 0 73 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.904 112.1 50.9 -65.2 -40.5 30.1 25.0 35.2 59 65 A R H X S+ 0 0 168 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.945 115.9 41.3 -61.4 -48.3 33.3 24.1 33.3 60 66 A I H X S+ 0 0 40 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.906 116.5 48.6 -67.8 -41.0 35.4 26.5 35.3 61 67 A L H X S+ 0 0 0 -4,-2.8 4,-3.7 -5,-0.3 5,-0.3 0.872 105.4 57.5 -70.0 -35.3 33.8 25.7 38.6 62 68 A Q H X S+ 0 0 63 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.939 109.2 46.4 -60.0 -40.8 34.1 21.9 38.1 63 69 A K H X S+ 0 0 155 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.910 115.2 47.1 -64.0 -43.3 37.8 22.4 37.7 64 70 A H H >X S+ 0 0 13 -4,-1.8 4,-3.1 2,-0.2 3,-1.2 0.966 112.9 47.2 -62.8 -51.0 37.9 24.6 40.8 65 71 A W H 3X S+ 0 0 1 -4,-3.7 4,-0.5 1,-0.3 -2,-0.2 0.868 112.8 50.5 -60.2 -37.6 35.8 22.3 43.0 66 72 A S H 3< S+ 0 0 54 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.589 124.4 24.7 -78.2 -13.0 37.9 19.3 41.9 67 73 A T H << S+ 0 0 84 -3,-1.2 -2,-0.2 -4,-0.8 3,-0.2 0.632 102.0 74.3-123.8 -21.6 41.3 20.9 42.7 68 74 A W H < S+ 0 0 18 -4,-3.1 2,-0.4 1,-0.3 -3,-0.1 0.937 115.3 11.3 -64.4 -47.2 40.9 23.6 45.4 69 75 A I S < S+ 0 0 1 -4,-0.5 2,-0.3 -5,-0.3 -1,-0.3 -1.000 79.1 164.0-129.0 129.9 40.4 21.2 48.2 70 76 A T >> - 0 0 43 -2,-0.4 4,-1.1 -3,-0.2 3,-1.1 -0.794 56.6 -82.4-132.3-175.9 41.0 17.4 47.8 71 77 A E H 3> S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.837 123.6 64.3 -57.1 -35.5 41.5 14.5 50.1 72 78 A Q H 3> S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 97.6 55.3 -58.5 -35.7 45.2 15.4 50.5 73 79 A D H <> S+ 0 0 12 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.890 106.3 51.0 -64.5 -40.7 44.2 18.7 52.2 74 80 A F H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.898 109.7 49.8 -63.5 -42.3 42.2 16.7 54.8 75 81 A K H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 112.5 47.9 -60.2 -41.7 45.2 14.5 55.5 76 82 A Q H X S+ 0 0 62 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.910 108.9 53.4 -65.3 -43.8 47.3 17.6 55.9 77 83 A I H <>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-0.4 0.956 112.4 45.1 -54.3 -50.1 44.7 19.2 58.2 78 84 A S H ><5S+ 0 0 42 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.928 110.4 53.5 -58.6 -45.4 44.8 16.1 60.4 79 85 A N H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.4 59.2 -62.3 -29.0 48.6 15.9 60.4 80 86 A L T 3<5S- 0 0 22 -4,-1.8 302,-0.4 -3,-0.4 -1,-0.3 0.401 124.5-101.7 -80.8 0.3 48.8 19.5 61.6 81 87 A G T < 5S+ 0 0 42 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.605 75.5 141.0 93.5 11.0 46.9 18.5 64.7 82 88 A L < - 0 0 8 -5,-2.1 -1,-0.3 -6,-0.2 -71,-0.2 -0.574 30.3-174.7 -87.5 153.2 43.5 20.0 63.6 83 89 A N + 0 0 36 -73,-2.9 40,-2.3 -2,-0.2 2,-0.3 0.307 59.7 44.8-128.3 8.1 40.3 18.1 64.4 84 90 A F E -bc 11 123A 0 -74,-1.1 -72,-1.6 38,-0.2 2,-0.4 -0.999 48.8-165.5-157.3 149.7 37.7 20.1 62.6 85 91 A V E -bc 12 124A 0 38,-2.2 40,-1.8 -2,-0.3 2,-0.5 -0.996 13.6-148.1-135.9 142.5 36.6 21.9 59.5 86 92 A R E -bc 13 125A 0 -74,-1.7 -72,-2.6 -2,-0.4 40,-0.2 -0.960 17.0-157.0-105.7 130.1 33.8 24.4 58.8 87 93 A I E - c 0 126A 0 38,-2.8 40,-2.1 -2,-0.5 2,-0.1 -0.856 1.6-155.0-115.7 105.0 32.4 24.1 55.3 88 94 A P E + c 0 127A 4 0, 0.0 -70,-0.5 0, 0.0 2,-0.3 -0.464 19.4 173.1 -73.6 141.7 30.6 27.1 53.9 89 95 A I E - c 0 128A 0 38,-2.4 40,-2.7 -2,-0.1 41,-0.8 -0.992 25.2-125.6-149.3 144.9 28.1 26.4 51.2 90 96 A G E > - c 0 130A 0 -72,-0.4 3,-1.4 -2,-0.3 4,-0.2 -0.504 24.5-116.2 -89.0 161.9 25.5 28.6 49.4 91 97 A Y G >> S+ 0 0 6 39,-1.5 3,-2.4 1,-0.3 4,-2.1 0.830 108.8 71.6 -63.4 -31.2 21.8 28.0 49.1 92 98 A W G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 39,-0.0 0.653 80.5 72.1 -64.2 -18.0 22.1 27.6 45.3 93 99 A A G <4 S+ 0 0 7 -3,-1.4 12,-0.3 1,-0.2 14,-0.3 0.732 115.3 24.1 -64.6 -23.5 23.9 24.3 45.7 94 100 A F T <4 S+ 0 0 28 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.700 133.5 14.0-112.3 -30.5 20.4 22.9 46.7 95 101 A Q < - 0 0 109 -4,-2.1 2,-0.3 2,-0.0 -1,-0.3 -0.982 59.0-149.3-150.5 137.2 17.9 25.2 45.1 96 102 A L - 0 0 51 -2,-0.3 2,-0.2 -3,-0.1 3,-0.1 -0.807 17.8-131.8-105.5 143.8 17.8 27.9 42.5 97 103 A L > - 0 0 51 -2,-0.3 3,-2.4 1,-0.1 2,-0.0 -0.591 50.7 -79.4 -79.0 159.1 15.5 30.9 42.5 98 104 A D T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.346 121.9 12.2 -56.5 133.9 13.8 31.5 39.1 99 105 A N T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.631 87.7 152.1 74.4 9.3 16.4 33.2 36.9 100 106 A D < - 0 0 14 -3,-2.4 -1,-0.2 1,-0.1 -4,-0.0 -0.564 38.0-151.4 -70.0 145.8 19.3 32.6 39.3 101 107 A P + 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.562 57.4 116.2 -93.0 -13.3 22.6 32.4 37.3 102 108 A Y - 0 0 2 1,-0.1 2,-0.3 -45,-0.0 -48,-0.1 -0.169 56.7-140.2 -58.3 152.3 24.3 30.1 39.7 103 109 A V - 0 0 9 -46,-0.1 3,-0.2 -7,-0.0 2,-0.2 -0.808 13.3-140.5-109.6 157.8 25.3 26.6 38.7 104 110 A Q + 0 0 79 -2,-0.3 -11,-0.1 1,-0.1 -10,-0.1 -0.463 58.2 100.8-109.9 176.5 25.0 23.5 40.8 105 111 A G > + 0 0 26 -12,-0.3 4,-0.7 -2,-0.2 3,-0.5 0.256 51.5 111.2 128.9 -9.0 27.2 20.4 41.5 106 112 A Q H >> + 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.8 0.836 66.6 68.4 -64.5 -35.6 28.7 21.4 44.8 107 113 A V H 3> S+ 0 0 29 -14,-0.3 4,-2.9 1,-0.3 5,-0.3 0.882 92.2 59.7 -53.7 -39.7 26.8 18.8 46.8 108 114 A Q H 3> S+ 0 0 94 -3,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.904 110.8 40.7 -56.8 -41.5 28.8 16.0 45.1 109 115 A Y H S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.3 0.945 110.4 49.3 -61.5 -49.4 36.5 14.0 57.1 118 124 A R H ><5S+ 0 0 102 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.943 109.9 51.4 -56.4 -46.2 35.4 10.6 58.3 119 125 A K H 3<5S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.855 115.9 40.4 -60.7 -35.8 38.5 9.0 57.0 120 126 A N T 3<5S- 0 0 23 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.199 113.1-112.2-102.2 16.8 40.8 11.5 58.7 121 127 A N T < 5 + 0 0 113 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.895 67.1 147.9 55.5 44.2 38.9 11.7 62.0 122 128 A I < - 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0 0 24 -3,-0.8 -9,-0.6 -8,-0.1 -10,-0.3 -0.920 41.0-176.6-119.4 141.0 21.8 43.4 48.4 147 153 A Y + 0 0 102 -2,-0.3 3,-0.3 -11,-0.1 -13,-0.2 -0.442 39.5 123.7-135.1 58.4 20.0 42.9 51.8 148 154 A N > + 0 0 69 -15,-3.0 3,-2.0 -14,-0.2 6,-0.3 0.229 26.5 113.4-111.8 19.4 16.8 41.1 50.8 149 155 A F T 3 S+ 0 0 0 -15,-1.9 9,-0.2 -16,-0.4 -1,-0.2 0.843 86.2 44.7 -58.7 -33.7 16.9 37.9 52.9 150 156 A Q T 3 S+ 0 0 29 -3,-0.3 -1,-0.3 -16,-0.2 2,-0.3 0.314 100.5 93.1 -93.7 12.8 13.9 39.1 54.9 151 157 A N S X S- 0 0 82 -3,-2.0 3,-2.1 2,-0.0 4,-0.3 -0.721 91.0 -20.4-106.5 154.5 12.0 40.3 51.8 152 158 A G T 3 S- 0 0 77 -2,-0.3 3,-0.3 1,-0.2 4,-0.2 -0.247 121.9 -33.4 55.2-137.4 9.4 38.4 49.8 153 159 A D T 3> S+ 0 0 121 1,-0.2 4,-2.7 2,-0.1 -1,-0.2 0.108 104.2 113.2-102.3 19.7 9.7 34.6 50.2 154 160 A N H <> S+ 0 0 27 -3,-2.1 4,-2.2 -6,-0.3 -1,-0.2 0.867 76.5 49.6 -62.5 -38.5 13.5 34.6 50.7 155 161 A T H > S+ 0 0 32 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.943 112.3 48.0 -66.6 -42.3 13.2 33.5 54.4 156 162 A Q H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 110.4 51.4 -66.1 -40.7 10.9 30.7 53.5 157 163 A V H X S+ 0 0 27 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.922 109.3 51.5 -60.5 -40.5 13.1 29.6 50.6 158 164 A T H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.940 109.5 49.7 -62.3 -42.0 16.1 29.6 53.1 159 165 A L H X S+ 0 0 12 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.899 109.3 51.6 -63.7 -36.7 14.1 27.4 55.5 160 166 A N H X S+ 0 0 95 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.915 110.9 48.2 -65.9 -40.2 13.2 25.0 52.7 161 167 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.922 110.5 51.6 -65.5 -41.6 17.0 24.8 51.8 162 168 A L H X S+ 0 0 0 -4,-3.2 4,-3.6 1,-0.2 -2,-0.2 0.906 105.0 56.7 -61.5 -36.8 17.8 24.2 55.5 163 169 A N H X S+ 0 0 39 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.879 107.4 48.1 -61.9 -36.7 15.2 21.4 55.5 164 170 A T H X S+ 0 0 61 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.925 113.0 47.5 -65.7 -44.8 17.0 19.7 52.7 165 171 A I H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.5 0.927 112.2 51.2 -63.4 -39.9 20.3 20.1 54.5 166 172 A F H X S+ 0 0 1 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.906 112.1 45.0 -62.7 -45.3 18.7 18.8 57.7 167 173 A K H < S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 121.5 38.2 -69.0 -34.8 17.3 15.7 56.0 168 174 A K H < S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.888 133.5 17.0 -83.1 -39.6 20.5 14.9 54.2 169 175 A Y H < S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.482 114.3 63.9-116.4 -1.5 23.2 15.8 56.7 170 176 A G S < S+ 0 0 2 -4,-1.8 45,-0.5 -5,-0.5 44,-0.3 0.318 90.5 82.0-104.1 9.4 21.5 16.0 60.1 171 177 A G S > S- 0 0 24 -4,-0.2 3,-1.0 42,-0.1 4,-0.4 -0.185 100.7 -74.5-101.5-165.0 20.5 12.3 60.3 172 178 A N G > S+ 0 0 126 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.810 114.6 74.4 -66.5 -26.6 22.2 9.1 61.2 173 179 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.844 113.2 20.9 -56.9 -38.2 24.2 8.8 58.0 174 180 A Y G X> S+ 0 0 41 -3,-1.0 4,-3.1 1,-0.1 3,-2.5 0.205 84.9 118.2-119.0 19.9 26.7 11.5 59.1 175 181 A S T <4 S+ 0 0 66 -3,-1.0 -1,-0.1 -4,-0.4 -2,-0.1 0.686 76.6 54.6 -61.8 -18.9 26.2 11.6 62.8 176 182 A D T 34 S+ 0 0 70 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.495 122.0 27.4 -89.8 -4.4 29.8 10.5 63.3 177 183 A V T <4 S+ 0 0 0 -3,-2.5 -53,-3.0 1,-0.2 2,-0.7 0.722 103.5 72.9-121.7 -45.6 31.1 13.5 61.3 178 184 A V E < +d 124 0A 5 -4,-3.1 -1,-0.2 -55,-0.2 -53,-0.2 -0.704 44.4 166.8 -84.0 114.3 28.7 16.4 61.4 179 185 A I E + 0 0 3 -55,-2.8 2,-0.2 -2,-0.7 -54,-0.2 0.120 66.4 13.2-112.9 17.0 28.8 18.1 64.8 180 186 A G E -d 125 0A 0 -56,-0.6 -54,-2.0 35,-0.1 2,-0.5 -0.794 51.6-151.4 175.3 137.7 26.8 21.2 63.8 181 187 A I E -de 126 217A 1 35,-2.0 37,-2.6 -2,-0.2 2,-0.7 -0.999 23.8-147.8-115.9 116.4 24.6 22.7 61.1 182 188 A E E -de 127 218A 0 -56,-3.3 -54,-2.3 -2,-0.5 3,-0.2 -0.844 4.4-152.3 -88.3 118.8 25.0 26.5 61.1 183 189 A L S S- 0 0 0 35,-1.8 2,-0.3 -2,-0.7 -1,-0.1 0.772 71.5 -6.7 -65.3 -34.9 21.7 28.0 60.0 184 190 A L - 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0 0 13 -3,-1.9 -3,-0.2 1,-0.1 -1,-0.2 -0.571 45.0-107.6 -88.8 152.3 40.3 55.6 56.9 315 321 A P - 0 0 78 0, 0.0 -6,-0.6 0, 0.0 -5,-0.1 -0.466 39.5 -97.8 -74.4 145.5 43.7 57.3 57.6 316 322 A Y B +J 308 0C 142 -8,-0.3 -8,-0.2 -7,-0.2 -9,-0.1 -0.427 45.3 167.4 -60.8 129.9 46.8 55.9 55.9 317 323 A I - 0 0 63 -10,-2.9 2,-0.3 1,-0.5 -9,-0.2 0.716 61.5 -30.2-108.4 -53.5 48.7 53.6 58.3 318 324 A G - 0 0 12 -11,-1.9 -1,-0.5 0, 0.0 2,-0.3 -0.970 69.2 -81.0-159.4 168.1 51.2 51.9 55.9 319 325 A S - 0 0 54 -2,-0.3 4,-0.3 1,-0.1 -25,-0.1 -0.577 28.0-154.0 -77.4 138.3 51.8 50.8 52.4 320 326 A b S >> S+ 0 0 6 -2,-0.3 3,-1.7 1,-0.1 4,-0.8 0.801 80.9 79.9 -79.6 -29.4 50.2 47.4 51.5 321 327 A Q G >4 S+ 0 0 127 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.892 92.8 48.6 -44.5 -55.5 52.6 46.5 48.7 322 328 A P G 34 S+ 0 0 51 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.722 110.9 52.1 -59.5 -23.5 55.3 45.4 51.2 323 329 A L G <4 S+ 0 0 20 -3,-1.7 -2,-0.2 -4,-0.3 6,-0.1 0.460 86.2 83.3 -95.8 0.5 52.8 43.2 53.1 324 330 A L S << S+ 0 0 83 -3,-1.4 2,-0.5 -4,-0.8 -1,-0.2 0.781 91.4 49.8 -75.2 -26.2 51.4 41.3 50.1 325 331 A D S > S- 0 0 66 -4,-0.4 3,-2.1 -3,-0.3 4,-0.3 -0.962 73.1-147.0-118.5 125.3 54.3 38.8 50.1 326 332 A I G > S+ 0 0 17 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.746 99.0 61.6 -63.4 -22.7 55.3 37.0 53.3 327 333 A S G 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.1 0.674 102.8 52.3 -77.0 -14.3 58.9 36.9 52.3 328 334 A Q G < S+ 0 0 101 -3,-2.1 -1,-0.2 -6,-0.1 2,-0.2 0.405 83.1 117.7 -97.8 -0.5 58.9 40.7 52.2 329 335 A W < - 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0 0 0 -2,-0.7 11,-2.9 -345,-0.4 12,-0.2 0.602 42.3-158.9-143.5 179.9 40.9 30.0 56.1 359 365 A W S S- 0 0 1 -346,-2.4 11,-2.1 9,-0.2 2,-0.3 0.942 90.3 -4.7 -59.4 -47.0 42.8 26.8 55.2 360 366 A K - 0 0 38 -347,-0.2 2,-0.3 -345,-0.2 -1,-0.2 -0.990 53.1-173.8-149.3 154.2 44.2 28.3 52.0 361 367 A T - 0 0 12 -2,-0.3 -336,-0.2 1,-0.1 -337,-0.1 -0.922 37.8-115.2-134.5 164.5 44.2 31.3 49.7 362 368 A E S S- 0 0 72 -338,-2.6 -337,-0.1 -2,-0.3 -1,-0.1 0.935 100.3 -22.0 -67.2 -46.5 45.9 31.7 46.3 363 369 A N S S+ 0 0 100 -340,-0.3 -1,-0.1 -339,-0.2 -339,-0.1 0.112 102.0 109.8-155.7 30.7 48.2 34.4 47.5 364 370 A A > - 0 0 5 -340,-0.2 3,-1.3 1,-0.2 7,-0.1 -0.837 41.6-174.0-112.7 91.9 46.9 36.2 50.6 365 371 A P G > S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 7,-0.3 0.815 77.1 60.3 -58.7 -36.7 49.2 35.0 53.4 366 372 A E G 3 S+ 0 0 4 1,-0.3 -77,-1.7 5,-0.1 -76,-0.5 0.678 110.9 43.4 -65.2 -20.4 47.4 36.6 56.4 367 373 A W G < S+ 0 0 2 -3,-1.3 2,-0.5 -79,-0.2 -1,-0.3 0.126 95.9 89.6-110.9 15.0 44.3 34.5 55.5 368 374 A S <> - 0 0 0 -3,-1.5 4,-2.4 1,-0.2 5,-0.3 -0.915 51.5-166.4-124.2 113.2 46.0 31.2 54.8 369 375 A F H > S+ 0 0 0 -11,-2.9 4,-2.4 -2,-0.5 5,-0.2 0.905 94.1 53.0 -59.0 -42.2 46.6 28.6 57.6 370 376 A Q H > S+ 0 0 32 -11,-2.1 4,-2.8 -12,-0.2 -1,-0.2 0.938 109.8 45.5 -58.3 -52.4 48.9 26.7 55.2 371 377 A T H > S+ 0 0 42 -12,-0.2 4,-1.8 1,-0.2 6,-0.2 0.907 114.8 47.1 -60.4 -45.9 51.1 29.7 54.4 372 378 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 -7,-0.3 6,-1.4 0.893 113.4 49.0 -65.1 -38.6 51.4 30.9 58.0 373 379 A T H ><5S+ 0 0 14 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.943 111.3 49.1 -65.9 -46.0 52.2 27.4 59.2 374 380 A Y H 3<5S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 110.8 50.3 -65.7 -29.1 54.9 26.9 56.6 375 381 A N T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.229 116.9-112.9 -90.1 8.4 56.5 30.3 57.4 376 382 A G T < 5S+ 0 0 39 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.643 88.8 111.0 74.5 16.9 56.6 29.4 61.1 377 383 A L < + 0 0 13 -5,-2.6 -4,-0.2 -6,-0.2 -36,-0.2 0.700 66.0 61.8 -95.6 -23.7 54.1 32.1 62.1 378 384 A F S S- 0 0 1 -6,-1.4 -2,-0.1 -9,-0.1 -1,-0.1 -0.946 102.7-106.0 -99.9 125.9 51.2 29.8 63.1 379 385 A P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.186 33.0-142.4 -52.2 136.7 52.3 27.6 66.0 380 386 A Q S S+ 0 0 77 1,-0.1 2,-0.2 -4,-0.1 -299,-0.1 -0.925 97.7 36.1-145.3 114.9 53.1 24.0 65.0 381 387 A P S > S- 0 0 80 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.605 105.1-128.9 -61.1 160.3 52.2 22.1 67.0 382 388 A V T 3 S+ 0 0 6 -302,-0.4 -2,-0.1 1,-0.3 -301,-0.1 0.686 105.1 58.4 -63.9 -14.5 49.3 24.3 67.7 383 389 A T T 3 S+ 0 0 80 2,-0.0 -1,-0.3 -38,-0.0 -3,-0.1 0.539 79.8 115.3 -88.8 -7.3 49.9 24.4 71.5 384 390 A D < - 0 0 71 -3,-2.1 2,-0.4 2,-0.0 0, 0.0 -0.339 48.4-165.8 -62.4 137.4 53.4 25.8 70.9 385 391 A R + 0 0 47 1,-0.1 -46,-0.1 -2,-0.0 -2,-0.0 -0.969 30.1 172.9-136.0 122.8 53.9 29.3 72.4 386 392 A Q S S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 -47,-0.1 0.589 96.1 39.6 -90.0 -19.5 56.8 31.7 71.7 387 393 A F S > S- 0 0 55 -49,-0.1 3,-0.5 -48,-0.0 -1,-0.2 -0.609 90.2-164.2-131.4 70.8 54.7 34.3 73.7 388 394 A P T 3 - 0 0 91 0, 0.0 -45,-0.0 0, 0.0 -4,-0.0 -0.248 59.3 -1.3 -65.0 141.7 53.2 32.3 76.6 389 395 A N T 3 + 0 0 118 1,-0.1 -46,-0.1 -47,-0.1 -4,-0.0 0.855 65.2 157.6 52.2 54.9 50.4 33.6 78.7 390 396 A Q S < S+ 0 0 51 -3,-0.5 -1,-0.1 1,-0.2 -121,-0.1 0.754 77.9 40.7 -77.7 -20.5 49.8 37.0 77.2 391 397 A a S S- 0 0 19 -122,-0.1 -1,-0.2 -123,-0.0 -2,-0.0 0.718 92.1-139.9-101.6 -25.8 46.2 37.1 78.5 392 398 A G - 0 0 26 1,-0.1 -2,-0.0 2,-0.0 2,-0.0 0.887 27.7-171.2 71.1 42.7 46.6 35.6 82.0 393 399 A F 0 0 44 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.384 360.0 360.0 -69.4 146.2 43.4 33.5 81.9 394 400 A H 0 0 203 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.700 360.0 360.0-113.4 360.0 42.3 31.8 85.2