==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-01 1JIU . COMPND 2 MOLECULE: DNA BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.MORERA,L.LARIVIERE,J.KURZECK,U.ASCHKE-SONNENBORN, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 1 0.3 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 1 1 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 3 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 M 0 0 109 0, 0.0 2,-0.4 0, 0.0 35,-0.3 0.000 360.0 360.0 360.0 114.9 26.7 23.3 34.7 2 2 A K - 0 0 53 33,-0.1 58,-2.4 56,-0.0 59,-1.0 -0.999 360.0-157.7-136.7 133.9 26.4 20.6 32.1 3 3 A I E -ab 37 61A 0 33,-3.0 35,-1.4 -2,-0.4 2,-0.4 -0.888 1.4-162.5-115.0 143.2 23.4 19.8 29.7 4 4 A A E -ab 38 62A 0 57,-2.0 59,-3.1 -2,-0.4 2,-0.4 -0.983 5.6-174.2-125.2 130.5 22.6 16.5 28.0 5 5 A I E +ab 39 63A 0 33,-2.5 35,-1.9 -2,-0.4 2,-0.3 -0.978 10.6 166.4-123.9 135.6 20.2 16.3 25.0 6 6 A I E - b 0 64A 0 57,-1.9 59,-2.8 -2,-0.4 2,-0.4 -0.969 35.5-115.8-143.8 158.8 19.1 13.0 23.5 7 7 A N E - b 0 65A 4 33,-0.4 59,-0.2 -2,-0.3 60,-0.1 -0.790 21.0-143.4 -94.5 139.7 16.4 11.8 21.1 8 8 A M S S+ 0 0 0 57,-2.2 75,-0.2 -2,-0.4 76,-0.2 0.790 89.3 10.0 -76.6 -28.1 13.9 9.4 22.6 9 9 A G S S+ 0 0 6 56,-0.3 71,-0.4 57,-0.2 2,-0.3 0.219 113.0 70.1-138.5 19.9 13.3 7.1 19.7 10 10 A N S S- 0 0 59 69,-0.3 -3,-0.3 9,-0.1 2,-0.1 -0.997 72.4-116.7-142.2 145.1 15.9 7.8 17.0 11 11 A N - 0 0 63 -2,-0.3 2,-0.5 30,-0.1 30,-0.1 -0.490 30.6-141.7 -74.5 146.8 19.6 7.3 16.5 12 12 A V + 0 0 2 -2,-0.1 31,-0.3 1,-0.1 35,-0.1 -0.957 48.8 117.1-117.1 125.0 21.5 10.5 16.0 13 13 A I - 0 0 93 1,-0.5 34,-0.3 -2,-0.5 2,-0.2 0.439 69.0 -17.9-144.2 -66.8 24.4 10.8 13.6 14 14 A N S S- 0 0 53 32,-0.1 -1,-0.5 33,-0.0 3,-0.4 -0.587 75.2 -77.1-136.2-161.6 24.2 13.2 10.6 15 15 A F S S+ 0 0 37 -2,-0.2 225,-0.9 1,-0.2 226,-0.3 0.152 95.1 99.0 -95.0 18.6 21.7 15.2 8.6 16 16 A K S S+ 0 0 146 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.871 84.2 43.0 -72.0 -37.2 20.4 12.3 6.5 17 17 A T S > S- 0 0 51 -3,-0.4 4,-1.9 1,-0.1 223,-0.1 -0.781 79.4-128.3-111.0 155.5 17.3 11.8 8.7 18 18 A V H > S+ 0 0 75 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.903 105.9 48.5 -69.2 -45.4 14.9 14.4 10.1 19 19 A P H > S+ 0 0 26 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.860 114.4 48.1 -65.2 -32.2 14.9 13.3 13.8 20 20 A S H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.1 -2,-0.2 0.912 113.3 49.2 -70.6 -42.1 18.7 13.2 13.8 21 21 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.929 108.5 49.3 -63.4 -50.6 18.9 16.6 12.1 22 22 A E H X S+ 0 0 30 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.814 111.0 53.8 -62.1 -27.6 16.5 18.4 14.5 23 23 A T H X S+ 0 0 0 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.893 109.7 44.8 -74.3 -39.1 18.5 17.0 17.4 24 24 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.840 111.9 53.4 -72.7 -32.8 21.9 18.3 16.1 25 25 A Y H X S+ 0 0 28 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.946 109.9 47.7 -64.9 -45.7 20.3 21.6 15.3 26 26 A L H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.854 110.0 53.4 -62.2 -35.2 19.0 21.8 18.9 27 27 A F H X S+ 0 0 39 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.964 111.8 45.7 -62.1 -50.7 22.5 20.8 20.1 28 28 A K H X S+ 0 0 72 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.893 109.5 52.0 -61.5 -45.2 24.0 23.6 18.1 29 29 A V H < S+ 0 0 4 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.872 110.6 48.9 -61.8 -37.9 21.5 26.4 19.2 30 30 A I H <>S+ 0 0 2 -4,-1.7 5,-0.9 -5,-0.2 -1,-0.2 0.846 112.8 47.1 -71.2 -32.4 22.1 25.6 22.8 31 31 A S H ><5S+ 0 0 44 -4,-1.6 3,-2.0 1,-0.2 4,-0.4 0.920 112.1 49.1 -72.3 -44.2 25.9 25.7 22.4 32 32 A E T 3<5S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.629 102.8 66.0 -67.9 -12.0 25.7 28.9 20.5 33 33 A M T 3 5S- 0 0 10 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.416 125.5-101.3 -88.9 -0.4 23.5 30.1 23.3 34 34 A G T < 5S+ 0 0 62 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.898 81.6 123.6 81.3 43.7 26.4 29.9 25.7 35 35 A L < - 0 0 29 -5,-0.9 2,-0.8 -4,-0.4 -1,-0.3 -0.985 64.0-118.1-135.4 145.5 25.7 26.5 27.4 36 36 A N + 0 0 88 -2,-0.3 -33,-3.0 -35,-0.3 2,-0.3 -0.740 46.6 167.3 -86.3 109.4 27.7 23.3 27.7 37 37 A V E -a 3 0A 5 -2,-0.8 2,-0.3 -35,-0.2 -33,-0.2 -0.886 21.9-169.3-125.1 156.6 25.8 20.5 25.9 38 38 A D E -a 4 0A 27 -35,-1.4 -33,-2.5 -2,-0.3 2,-0.5 -0.980 19.9-135.9-137.8 144.3 26.4 17.0 24.8 39 39 A I E -ac 5 48A 1 8,-0.5 10,-3.1 -2,-0.3 2,-0.5 -0.897 20.4-157.0 -99.5 134.1 24.3 14.8 22.6 40 40 A I E + c 0 49A 1 -35,-1.9 -33,-0.4 -2,-0.5 2,-0.2 -0.953 27.3 146.8-112.0 132.4 24.1 11.3 23.9 41 41 A S E - c 0 50A 3 8,-2.9 10,-2.3 -2,-0.5 -30,-0.1 -0.741 61.5 -67.4-144.9-166.7 23.2 8.6 21.5 42 42 A L S S+ 0 0 41 -2,-0.2 10,-0.4 8,-0.2 2,-0.3 0.917 110.7 7.2 -58.1 -47.6 23.8 4.9 20.6 43 43 A K S S- 0 0 164 -31,-0.3 -2,-0.2 7,-0.2 2,-0.1 -0.822 87.1 -84.5-133.0 171.1 27.5 5.4 19.7 44 44 A N + 0 0 100 -2,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.471 59.7 144.5 -73.8 146.1 30.3 7.9 19.7 45 45 A G - 0 0 39 3,-2.4 3,-0.2 -2,-0.1 -32,-0.1 -0.937 61.8 -63.5-164.6-174.2 30.4 10.3 16.8 46 46 A V S S+ 0 0 129 -2,-0.3 -32,-0.1 1,-0.2 -1,-0.1 0.876 133.5 15.6 -50.9 -43.3 31.0 13.7 15.3 47 47 A Y S S+ 0 0 64 -34,-0.3 -8,-0.5 -35,-0.1 2,-0.3 0.344 120.6 67.9-116.2 6.5 28.2 15.2 17.4 48 48 A T E -c 39 0A 12 -3,-0.2 -3,-2.4 -10,-0.1 2,-0.3 -0.918 55.3-145.7-138.2 158.4 27.6 12.6 20.0 49 49 A K E -c 40 0A 78 -10,-3.1 -8,-2.9 -2,-0.3 2,-0.3 -0.778 41.7-100.1-108.6 156.1 28.7 10.7 23.1 50 50 A S E > -c 41 0A 5 -2,-0.3 3,-1.9 -10,-0.2 4,-0.4 -0.574 18.3-130.6 -82.5 140.0 27.8 7.0 23.7 51 51 A F G > S+ 0 0 23 -10,-2.3 3,-0.8 1,-0.3 5,-0.1 0.886 109.2 44.1 -50.9 -45.3 25.0 6.1 26.1 52 52 A D G 3 S+ 0 0 136 -10,-0.4 -1,-0.3 1,-0.2 -10,-0.1 0.226 105.8 60.6 -90.3 15.7 27.2 3.6 27.8 53 53 A E G < S+ 0 0 140 -3,-1.9 2,-0.3 -10,-0.0 -1,-0.2 0.271 101.6 57.8-119.6 7.0 30.3 5.7 28.1 54 54 A V S < S- 0 0 34 -3,-0.8 2,-0.6 -4,-0.4 3,-0.0 -0.931 75.6-124.8-135.9 159.0 28.8 8.5 30.2 55 55 A D > - 0 0 82 -2,-0.3 3,-3.1 1,-0.1 4,-0.4 -0.925 15.9-142.9-108.3 116.8 27.0 8.8 33.5 56 56 A V G > S+ 0 0 5 -2,-0.6 3,-0.9 1,-0.3 -1,-0.1 0.735 100.0 60.3 -47.9 -27.0 23.6 10.4 33.3 57 57 A N G 3 S+ 0 0 58 1,-0.2 -1,-0.3 32,-0.1 33,-0.0 0.504 79.5 80.5 -84.6 -2.8 24.3 12.2 36.6 58 58 A D G < S+ 0 0 94 -3,-3.1 2,-0.3 2,-0.0 -1,-0.2 0.681 90.2 75.5 -70.9 -14.2 27.3 14.1 35.3 59 59 A Y < - 0 0 9 -3,-0.9 -56,-0.2 -4,-0.4 3,-0.1 -0.731 63.4-163.1-101.8 147.3 24.6 16.3 33.9 60 60 A D S S+ 0 0 83 -58,-2.4 2,-0.3 -2,-0.3 -57,-0.2 0.458 82.7 37.5-102.9 -6.4 22.4 18.8 35.8 61 61 A R E -b 3 0A 52 -59,-1.0 -57,-2.0 31,-0.1 2,-0.5 -0.992 63.8-162.7-146.8 137.6 19.8 19.1 33.0 62 62 A L E -bd 4 94A 1 31,-0.7 33,-2.9 -2,-0.3 2,-0.5 -0.981 6.8-170.2-127.1 118.7 18.3 16.4 30.7 63 63 A I E -bd 5 95A 0 -59,-3.1 -57,-1.9 -2,-0.5 2,-0.5 -0.921 6.1-159.8-109.7 129.7 16.5 17.5 27.6 64 64 A V E -bd 6 96A 0 31,-3.3 33,-2.5 -2,-0.5 2,-0.7 -0.945 11.5-142.2-116.3 121.7 14.6 14.8 25.6 65 65 A V E -bd 7 97A 2 -59,-2.8 -57,-2.2 -2,-0.5 -56,-0.3 -0.701 35.2-113.5 -80.2 115.1 13.6 15.3 21.9 66 66 A N + 0 0 3 31,-1.7 2,-0.3 -2,-0.7 -57,-0.2 0.016 48.4 155.5 -47.4 152.4 10.2 13.8 21.5 67 67 A S - 0 0 2 36,-0.3 2,-0.3 37,-0.1 -57,-0.0 -0.964 46.6 -74.4-166.8 174.1 9.8 10.7 19.3 68 68 A S - 0 0 34 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.634 27.5-160.4 -82.0 135.4 7.6 7.7 18.6 69 69 A I + 0 0 17 -2,-0.3 2,-0.5 38,-0.1 -1,-0.1 -0.114 49.9 126.0-106.3 35.0 8.0 4.9 21.2 70 70 A N - 0 0 78 -61,-0.1 2,-1.6 1,-0.0 -2,-0.1 -0.838 56.4-143.7 -99.9 124.5 6.5 2.3 18.8 71 71 A F - 0 0 21 -2,-0.5 4,-0.2 40,-0.1 -2,-0.1 -0.639 24.1-158.1 -86.0 84.2 8.5 -0.9 18.2 72 72 A F + 0 0 155 -2,-1.6 3,-0.5 2,-0.1 -2,-0.0 -0.350 57.7 2.6 -63.0 141.5 7.6 -1.3 14.5 73 73 A G S S- 0 0 65 1,-0.2 2,-0.8 -2,-0.0 -2,-0.0 -0.092 110.1 -59.4 71.6-177.5 8.1 -4.9 13.3 74 74 A G S S+ 0 0 71 2,-0.1 -1,-0.2 41,-0.0 -2,-0.1 -0.448 102.6 98.1-100.4 60.0 9.1 -7.8 15.6 75 75 A K S S- 0 0 139 -2,-0.8 2,-0.2 -3,-0.5 40,-0.0 -0.998 74.3-109.8-146.7 148.2 12.4 -6.3 16.6 76 76 A P - 0 0 36 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.559 26.7-145.2 -76.4 140.5 13.9 -4.4 19.6 77 77 A N > - 0 0 52 -2,-0.2 4,-2.4 1,-0.2 3,-0.3 -0.920 8.6-166.4-109.0 107.7 14.8 -0.7 18.8 78 78 A L H >>S+ 0 0 91 -2,-0.7 4,-3.0 1,-0.2 5,-0.5 0.831 85.1 63.9 -62.2 -33.2 17.9 0.3 20.8 79 79 A A H >5S+ 0 0 8 2,-0.2 4,-1.1 3,-0.2 -69,-0.3 0.936 112.7 33.9 -57.8 -46.7 17.3 4.0 20.1 80 80 A I H >5S+ 0 0 3 -71,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.981 123.2 44.9 -71.6 -56.2 14.0 3.9 22.0 81 81 A L H X5S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -3,-0.2 0.900 114.7 46.1 -54.4 -51.1 15.1 1.4 24.7 82 82 A S H X5S+ 0 0 30 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.881 112.0 52.9 -63.1 -37.0 18.5 2.8 25.4 83 83 A A H X< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 43,-0.3 0.888 108.0 60.9 -61.9 -41.8 16.1 8.6 31.3 88 88 A A H 3< S+ 0 0 25 -4,-2.7 41,-0.4 1,-0.3 -1,-0.2 0.824 106.7 45.7 -57.5 -33.1 15.0 6.0 33.8 89 89 A K T 3< S+ 0 0 129 -4,-1.7 2,-0.4 -3,-0.5 -1,-0.3 0.399 87.9 105.7 -94.1 4.8 18.2 6.3 35.8 90 90 A Y < - 0 0 6 -3,-1.6 40,-0.3 -4,-0.3 39,-0.2 -0.721 55.3-159.2 -86.7 131.0 18.3 10.1 35.8 91 91 A K + 0 0 154 -2,-0.4 -1,-0.1 39,-0.1 3,-0.1 0.847 63.0 59.0 -79.5 -38.7 17.3 11.6 39.2 92 92 A S S S- 0 0 64 1,-0.2 2,-0.1 38,-0.1 -31,-0.1 -0.018 98.8 -54.9 -84.6-170.1 16.3 15.2 38.4 93 93 A K - 0 0 38 37,-0.1 -31,-0.7 39,-0.1 2,-0.4 -0.409 47.9-141.9 -70.5 138.8 13.6 16.8 36.2 94 94 A I E -de 62 132A 0 37,-2.3 39,-2.9 -2,-0.1 2,-0.7 -0.843 5.5-142.7-103.6 137.3 13.4 15.9 32.6 95 95 A Y E -de 63 133A 8 -33,-2.9 -31,-3.3 -2,-0.4 2,-0.7 -0.887 14.1-159.3-104.2 111.1 12.6 18.5 29.9 96 96 A Y E -de 64 134A 0 37,-2.9 39,-2.5 -2,-0.7 2,-1.0 -0.809 7.6-147.6 -96.0 111.8 10.5 17.0 27.1 97 97 A L E -de 65 135A 2 -33,-2.5 -31,-1.7 -2,-0.7 2,-1.0 -0.672 13.3-165.1 -81.9 103.8 10.5 19.0 23.8 98 98 A F E + e 0 136A 0 37,-2.7 39,-1.8 -2,-1.0 40,-0.2 -0.778 31.7 142.7 -93.6 97.2 7.1 18.5 22.3 99 99 A T + 0 0 10 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.495 58.4 58.9-113.0 -9.7 7.3 19.6 18.7 100 100 A D S > S- 0 0 28 3,-0.1 3,-2.0 1,-0.1 -1,-0.2 -0.990 73.7-139.1-127.8 123.7 5.0 17.1 17.0 101 101 A I T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 46,-0.0 0.807 102.3 49.1 -46.3 -39.4 1.4 16.8 17.9 102 102 A R T 3 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.1 -35,-0.0 0.030 96.2 72.9 -96.4 27.9 1.5 13.0 17.7 103 103 A L < + 0 0 33 -3,-2.0 -36,-0.3 -35,-0.1 -1,-0.2 -0.224 58.3 160.5-134.5 48.2 4.6 12.4 19.8 104 104 A P - 0 0 31 0, 0.0 -37,-0.1 0, 0.0 40,-0.0 -0.273 50.8 -90.3 -67.1 156.8 3.7 13.0 23.4 105 105 A F + 0 0 4 -9,-0.1 2,-0.3 -39,-0.1 46,-0.1 -0.284 58.3 161.7 -62.9 154.5 5.9 11.5 26.1 106 106 A S - 0 0 23 -3,-0.1 2,-0.2 44,-0.0 42,-0.0 -0.937 43.8 -91.5-174.1 149.8 4.9 8.1 27.3 107 107 A Q - 0 0 32 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.455 25.1-159.9 -68.0 136.0 6.2 5.0 29.1 108 108 A S S >> S+ 0 0 0 18,-0.4 3,-0.7 -2,-0.2 4,-0.6 0.664 77.5 82.4 -90.5 -18.1 7.7 2.4 26.7 109 109 A W H >> S+ 0 0 40 17,-0.3 4,-2.8 1,-0.2 3,-1.5 0.872 83.8 57.4 -55.3 -42.8 7.3 -0.4 29.2 110 110 A P H 3> S+ 0 0 61 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.893 109.2 47.6 -56.4 -36.4 3.6 -1.1 28.3 111 111 A N H <4 S+ 0 0 62 -3,-0.7 -2,-0.2 -4,-0.3 -40,-0.1 0.526 117.9 42.7 -79.5 -9.0 4.7 -1.6 24.7 112 112 A V H X< S+ 0 0 0 -3,-1.5 3,-2.5 -4,-0.6 6,-0.2 0.830 94.7 70.5-103.8 -46.7 7.5 -3.9 25.8 113 113 A K H 3< S+ 0 0 108 -4,-2.8 -2,-0.1 1,-0.3 5,-0.1 0.783 106.3 42.8 -41.9 -39.0 6.2 -6.2 28.5 114 114 A N T 3< S+ 0 0 112 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 0.513 92.9 100.5 -90.0 -8.2 4.0 -8.0 25.9 115 115 A R S X S- 0 0 97 -3,-2.5 3,-1.0 1,-0.1 4,-0.1 -0.368 81.0-120.4 -73.5 159.7 6.7 -8.3 23.2 116 116 A P T 3 S+ 0 0 93 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.717 112.6 55.4 -74.7 -20.9 8.6 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107.5 46.7 -84.1 -43.1 -4.4 16.6 26.6 147 147 A A H 3< S+ 0 0 33 -4,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.760 114.2 50.8 -68.9 -23.3 -2.0 14.1 25.0 148 148 A H T 3< S+ 0 0 6 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.025 76.1 105.4-102.9 25.3 -0.2 13.8 28.4 149 149 A K S < S+ 0 0 164 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.891 77.5 53.5 -71.1 -38.9 -3.3 13.0 30.5 150 150 A K S S+ 0 0 166 -3,-0.3 2,-0.5 -4,-0.3 -1,-0.2 0.666 96.2 80.2 -70.1 -18.2 -2.6 9.3 30.8 151 151 A V - 0 0 18 -3,-0.2 3,-0.3 1,-0.2 -46,-0.0 -0.808 60.1-167.2 -97.7 128.5 1.0 10.0 32.2 152 152 A D S S+ 0 0 152 -2,-0.5 -1,-0.2 1,-0.2 -20,-0.1 0.993 74.8 62.4 -75.6 -68.4 1.3 10.9 35.9 153 153 A N S S+ 0 0 31 -25,-0.2 -21,-2.3 -22,-0.1 2,-1.0 0.530 74.0 110.0 -40.2 -11.6 4.8 12.3 36.5 154 154 A V E +f 132 0A 18 -3,-0.3 -21,-0.2 -23,-0.2 3,-0.1 -0.597 35.2 161.1 -73.2 104.5 4.2 15.2 34.1 155 155 A I E + 0 0 103 -23,-1.2 2,-0.3 -2,-1.0 -1,-0.2 0.500 52.0 48.6-103.3 -7.0 4.0 18.1 36.6 156 156 A E E -f 133 0A 62 -24,-1.5 -22,-2.6 2,-0.0 2,-0.4 -0.988 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105.4 38.1 -67.8 -42.1 16.4 27.6 12.2 167 167 A I T <4 S+ 0 0 1 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.614 111.5 57.4 -85.2 -15.1 16.6 31.4 12.1 168 168 A H T 3< S+ 0 0 3 -4,-0.9 -1,-0.2 170,-0.1 -2,-0.2 0.377 77.4 116.8 -96.9 3.7 18.6 32.0 15.3 169 169 A M S X S- 0 0 5 -3,-0.5 3,-0.6 -4,-0.4 -140,-0.1 -0.433 71.1-129.4 -68.1 147.4 21.5 29.8 14.1 170 170 A N T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.738 108.8 47.5 -70.4 -23.3 24.8 31.8 13.7 171 171 A D T 3 S+ 0 0 123 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.482 86.5 121.6 -96.1 -4.0 25.3 30.4 10.2 172 172 A F < + 0 0 31 -3,-0.6 2,-0.3 -6,-0.1 -5,-0.1 -0.206 32.9 165.4 -59.8 149.2 21.7 31.1 9.1 173 173 A Q - 0 0 133 102,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.957 38.8 -95.4-162.9 150.0 21.1 33.3 6.1 174 174 A L - 0 0 40 -2,-0.3 102,-0.2 1,-0.1 101,-0.1 -0.397 45.5-104.0 -69.5 145.6 18.2 34.2 3.8 175 175 A S - 0 0 22 100,-2.6 -1,-0.1 -2,-0.1 3,-0.1 -0.351 36.5-130.2 -67.8 149.8 17.8 32.4 0.5 176 176 A K - 0 0 113 1,-0.1 101,-0.1 -2,-0.0 -1,-0.1 -0.581 38.7 -71.0 -99.3 163.4 18.9 34.3 -2.6 177 177 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.281 61.5-168.3 -53.1 135.5 16.9 34.8 -5.9 178 178 A T - 0 0 41 70,-0.2 2,-0.3 99,-0.2 -3,-0.0 -0.986 30.6 -93.6-137.5 144.5 16.9 31.5 -7.7 179 179 A K - 0 0 180 -2,-0.4 2,-0.2 1,-0.1 0, 0.0 -0.320 48.6-130.3 -55.5 111.1 16.0 30.2 -11.2 180 180 A K + 0 0 48 -2,-0.3 70,-0.2 1,-0.1 69,-0.1 -0.415 41.7 158.1 -69.8 135.5 12.4 29.0 -10.9 181 181 A T + 0 0 77 68,-2.4 2,-0.3 -2,-0.2 69,-0.2 0.189 62.7 51.6-137.9 9.3 11.5 25.5 -12.1 182 182 A L E -h 250 0C 14 67,-0.8 69,-2.4 1,-0.1 28,-0.2 -0.993 57.0-151.4-148.7 152.9 8.3 24.9 -10.1 183 183 A D E S+ 0 0 15 26,-2.6 69,-1.8 1,-0.3 2,-0.3 0.902 86.9 5.3 -87.7 -51.0 5.0 26.7 -9.4 184 184 A V E -hi 252 210C 2 25,-1.4 27,-1.5 67,-0.2 -1,-0.3 -0.969 66.1-172.2-135.8 148.5 4.4 25.2 -6.0 185 185 A I E +hi 253 211C 1 67,-1.4 69,-2.2 -2,-0.3 2,-0.3 -0.991 7.4 178.5-142.9 151.4 6.4 22.9 -3.7 186 186 A Y E - i 0 212C 3 25,-2.1 27,-1.5 -2,-0.3 2,-0.4 -0.965 8.0-165.4-151.1 133.4 5.9 21.1 -0.4 187 187 A G E + i 0 213C 11 -2,-0.3 2,-0.3 67,-0.2 27,-0.3 -0.982 37.3 89.9-127.4 126.7 8.3 18.8 1.5 188 188 A G - 0 0 17 25,-2.0 28,-1.3 -2,-0.4 2,-0.1 -0.966 65.9 -76.6 173.9-178.7 7.5 16.4 4.3 189 189 A S - 0 0 49 -2,-0.3 24,-0.0 26,-0.2 -2,-0.0 -0.251 47.5 -99.0 -92.1-174.8 6.5 12.9 5.1 190 190 A F > > - 0 0 25 -2,-0.1 3,-0.9 1,-0.0 5,-0.6 0.687 42.1-142.3 -78.4 -15.6 3.0 11.2 4.7 191 191 A R G > 5 - 0 0 32 1,-0.2 3,-2.3 2,-0.2 5,-0.1 0.838 57.4 -76.0 55.5 34.4 2.5 11.8 8.4 192 192 A S G 3 5S- 0 0 71 1,-0.3 -1,-0.2 2,-0.1 4,-0.0 0.898 88.5 -56.8 42.1 54.1 0.8 8.4 8.4 193 193 A G G X 5S+ 0 0 26 -3,-0.9 3,-1.5 1,-0.1 4,-0.3 0.336 103.6 125.0 66.3 -3.7 -2.3 9.9 6.8 194 194 A Q T < 5S+ 0 0 109 -3,-2.3 65,-0.4 1,-0.3 -1,-0.1 0.611 85.8 29.8 -62.8 -9.2 -3.0 12.6 9.4 195 195 A R T 3> S+ 0 0 12 -3,-1.5 4,-2.8 1,-0.2 5,-0.3 0.894 74.0 56.3 -65.0 -42.8 -4.2 13.6 3.6 197 197 A S H > S+ 0 0 50 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.913 111.3 42.8 -56.1 -47.1 -7.2 15.9 3.1 198 198 A K H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.878 114.1 51.0 -69.1 -39.2 -5.0 19.1 3.1 199 199 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.4 0.928 112.6 44.6 -66.4 -45.5 -2.3 17.6 0.9 200 200 A V H X S+ 0 0 6 -4,-2.8 4,-1.8 3,-0.2 -2,-0.2 0.938 113.2 53.8 -62.9 -45.5 -4.7 16.4 -1.7 201 201 A E H < S+ 0 0 67 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.930 121.3 25.6 -53.1 -56.6 -6.6 19.7 -1.6 202 202 A F H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.581 131.5 33.6 -90.6 -12.5 -3.6 22.0 -2.2 203 203 A L H < S+ 0 0 2 -4,-2.0 2,-0.3 -5,-0.2 3,-0.3 0.559 102.0 74.9-119.7 -12.0 -1.1 19.8 -4.1 204 204 A F S < S- 0 0 0 -4,-1.8 27,-0.2 -5,-0.4 4,-0.0 -0.787 102.4 -0.6-107.5 149.0 -3.3 17.5 -6.3 205 205 A D S S+ 0 0 55 25,-2.9 -1,-0.2 -2,-0.3 26,-0.1 0.768 82.4 132.6 49.7 33.6 -5.2 18.2 -9.5 206 206 A T - 0 0 16 -3,-0.3 -1,-0.1 24,-0.2 3,-0.1 0.682 67.1-129.2 -85.4 -18.6 -4.1 21.9 -9.4 207 207 A G S S+ 0 0 84 1,-0.3 2,-0.1 23,-0.1 -2,-0.0 0.367 74.3 113.0 84.2 -6.3 -3.1 22.0 -13.1 208 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13.0 290 290 A H < + 0 0 36 -3,-2.2 -2,-0.1 -6,-0.2 -6,-0.0 0.974 54.1 156.7 58.6 60.0 -2.9 35.7 10.6 291 291 A R + 0 0 180 1,-0.1 3,-0.2 -4,-0.1 -1,-0.1 0.800 66.8 57.3 -81.9 -32.8 -0.2 35.5 13.3 292 292 A I S S- 0 0 13 1,-0.3 2,-0.3 -5,-0.1 -1,-0.1 0.967 127.9 -5.7 -62.4 -56.3 2.5 34.5 10.9 293 293 A I - 0 0 6 2,-0.0 2,-2.2 37,-0.0 -1,-0.3 -0.955 63.1-136.1-148.3 121.3 2.2 37.5 8.5 294 294 A N S S+ 0 0 146 -2,-0.3 2,-0.2 -3,-0.2 -3,-0.1 -0.379 76.2 94.4 -78.3 65.5 -0.5 40.3 8.6 295 295 A D > - 0 0 36 -2,-2.2 3,-2.5 1,-0.0 4,-0.2 -0.758 65.0-148.7-158.1 101.4 -1.2 40.3 4.9 296 296 A A G > S+ 0 0 62 1,-0.3 3,-1.2 -2,-0.2 -2,-0.1 0.556 89.2 78.2 -51.2 -12.2 -4.1 38.2 3.5 297 297 A R G 3 S+ 0 0 69 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.739 87.6 58.7 -72.0 -19.5 -2.2 37.7 0.2 298 298 A F G < S+ 0 0 0 -3,-2.5 -16,-3.7 -5,-0.2 2,-0.4 0.373 96.8 82.2 -88.1 4.8 -0.1 35.0 1.9 299 299 A Y E < -l 282 0C 0 -3,-1.2 2,-0.4 -18,-0.2 -16,-0.2 -0.911 54.6-171.1-118.3 140.9 -3.1 33.0 2.7 300 300 A V E -l 283 0C 0 -18,-3.0 -16,-2.1 -2,-0.4 -15,-0.2 -0.995 9.4-166.4-128.5 128.8 -5.2 30.5 0.7 301 301 A N - 0 0 99 -2,-0.4 2,-0.2 -18,-0.2 -16,-0.2 0.782 69.7 -13.1 -84.9 -29.0 -8.5 29.1 1.9 302 302 A N S > S- 0 0 68 1,-0.1 4,-1.7 -18,-0.0 5,-0.1 -0.865 82.4 -73.3-156.0-171.7 -8.8 26.3 -0.7 303 303 A R H > S+ 0 0 70 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 123.6 52.3 -60.8 -49.3 -7.6 24.7 -4.0 304 304 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 109.8 49.2 -56.5 -40.4 -9.2 27.4 -6.2 305 305 A E H > S+ 0 0 50 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.850 109.4 51.9 -70.5 -33.4 -7.6 30.2 -4.2 306 306 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.962 110.1 48.5 -64.6 -51.1 -4.2 28.6 -4.4 307 307 A I H X S+ 0 0 34 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.899 115.1 47.2 -54.4 -41.9 -4.5 28.2 -8.2 308 308 A D H X S+ 0 0 86 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.953 110.4 49.0 -67.0 -50.2 -5.6 31.9 -8.3 309 309 A R H X S+ 0 0 20 -4,-3.3 4,-1.8 1,-0.2 -2,-0.2 0.919 114.6 47.4 -57.1 -42.2 -2.8 33.2 -6.0 310 310 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.899 105.5 55.4 -68.0 -41.7 -0.2 31.3 -8.1 311 311 A N H X S+ 0 0 85 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.840 109.3 52.2 -59.7 -28.7 -1.5 32.5 -11.5 312 312 A E H X S+ 0 0 69 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.916 108.7 46.7 -70.0 -48.4 -1.0 36.0 -10.0 313 313 A L H < S+ 0 0 3 -4,-1.8 7,-0.3 1,-0.2 -2,-0.2 0.788 112.1 52.7 -65.1 -28.9 2.6 35.4 -9.0 314 314 A K H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.788 112.2 44.7 -76.5 -30.1 3.2 33.9 -12.4 315 315 A H H < S+ 0 0 170 -4,-1.1 2,-0.5 1,-0.2 -2,-0.2 0.742 117.4 43.4 -86.3 -25.8 1.8 36.9 -14.2 316 316 A S X + 0 0 37 -4,-1.8 4,-2.0 1,-0.1 -1,-0.2 -0.884 48.7 176.2-130.0 103.6 3.5 39.6 -12.1 317 317 A D H > S+ 0 0 79 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.771 89.6 62.6 -71.5 -24.4 7.2 39.2 -11.1 318 318 A V H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.902 106.4 43.9 -65.0 -39.7 6.8 42.7 -9.5 319 319 A L H > S+ 0 0 23 2,-0.2 4,-2.3 -7,-0.2 5,-0.2 0.884 110.1 54.8 -72.2 -40.8 4.2 41.1 -7.2 320 320 A R H X S+ 0 0 26 -4,-2.0 4,-2.1 -7,-0.3 -2,-0.2 0.922 112.6 42.8 -60.0 -44.4 6.3 38.0 -6.5 321 321 A K H X S+ 0 0 122 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.833 109.7 56.9 -72.2 -32.8 9.2 40.1 -5.4 322 322 A E H X S+ 0 0 84 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.932 111.5 43.0 -63.7 -44.0 7.1 42.5 -3.4 323 323 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.893 112.0 52.7 -69.1 -40.7 5.7 39.6 -1.3 324 324 A L H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.967 109.7 50.2 -57.4 -50.8 9.2 38.0 -1.0 325 325 A S H X S+ 0 0 73 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.844 110.9 49.9 -53.9 -40.2 10.5 41.3 0.3 326 326 A I H X S+ 0 0 55 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.967 112.4 43.8 -66.6 -55.3 7.6 41.5 2.8 327 327 A Q H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.898 113.0 53.1 -59.9 -38.9 8.0 38.0 4.3 328 328 A H H X S+ 0 0 30 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.925 108.8 50.2 -61.8 -41.8 11.7 38.4 4.5 329 329 A D H X S+ 0 0 79 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.868 111.2 48.1 -63.8 -37.6 11.3 41.6 6.4 330 330 A I H >X S+ 0 0 45 -4,-2.1 4,-1.2 2,-0.2 3,-0.5 0.909 109.2 53.1 -70.3 -40.3 8.9 40.0 8.8 331 331 A L H >X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 3,-0.8 0.927 106.2 54.1 -59.8 -42.5 11.3 37.1 9.3 332 332 A N H 3X S+ 0 0 64 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.783 101.3 60.5 -61.9 -27.1 14.0 39.6 10.2 333 333 A K H << S+ 0 0 119 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.837 106.4 44.9 -70.6 -32.3 11.7 41.1 12.8 334 334 A T H X< S+ 0 0 21 -4,-1.2 3,-1.7 -3,-0.8 -2,-0.2 0.867 109.7 56.3 -78.3 -34.9 11.6 37.8 14.7 335 335 A R H >< S+ 0 0 79 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.866 95.0 66.3 -62.6 -35.7 15.3 37.3 14.3 336 336 A A T 3< S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.449 95.0 59.9 -66.9 2.5 15.9 40.7 16.0 337 337 A K T <> + 0 0 101 -3,-1.7 4,-2.4 1,-0.1 -1,-0.3 0.097 67.1 120.1-115.1 20.6 14.5 39.1 19.2 338 338 A K H <> S+ 0 0 55 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.890 74.7 50.3 -49.4 -49.4 17.2 36.4 19.3 339 339 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.6 47.6 -58.7 -45.2 18.4 37.5 22.7 340 340 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 112.9 50.4 -64.9 -35.0 14.8 37.5 24.1 341 341 A W H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.926 108.8 49.4 -69.3 -47.9 14.3 34.0 22.6 342 342 A Q H X S+ 0 0 40 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.890 111.9 49.8 -58.7 -42.2 17.5 32.5 24.0 343 343 A D H X S+ 0 0 109 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.888 107.6 53.0 -64.3 -42.0 16.6 33.9 27.5 344 344 A A H X S+ 0 0 40 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.855 110.0 49.8 -62.7 -33.9 13.1 32.4 27.3 345 345 A F H X S+ 0 0 4 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.886 108.1 51.9 -71.9 -39.1 14.7 29.1 26.5 346 346 A K H <>S+ 0 0 64 -4,-2.0 5,-3.2 1,-0.2 -2,-0.2 0.847 111.6 47.7 -65.5 -33.2 17.1 29.3 29.4 347 347 A K H ><5S+ 0 0 142 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.898 104.8 60.6 -72.6 -40.8 14.1 30.0 31.7 348 348 A A H 3<5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.906 106.4 45.6 -52.0 -47.9 12.2 27.1 30.2 349 349 A I T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.100 123.8-105.0 -90.8 37.3 14.8 24.6 31.3 350 350 A D T < 5 0 0 59 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.746 360.0 360.0 47.3 34.8 14.9 26.3 34.7 351 351 A L < 0 0 84 -5,-3.2 -1,-0.1 -6,-0.2 -5,-0.0 -0.097 360.0 360.0-101.3 360.0 18.2 28.1 34.1