==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-FEB-03 1NVK . COMPND 2 MOLECULE: DNA BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LARIVIERE,J.KURZECK,V.GUEGUEN-CHAIGNON,W.RUEGER,S.MORERA . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 24.8 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 3 1 0 2 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 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 . 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 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 98 0, 0.0 35,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 106.7 -7.1 -9.3 1.4 2 2 A K E -a 36 0A 95 33,-0.1 58,-2.4 56,-0.1 59,-1.3 -0.963 360.0-164.5-118.4 121.6 -4.6 -11.6 3.1 3 3 A I E -ab 37 61A 0 33,-2.9 35,-2.0 -2,-0.5 2,-0.4 -0.833 5.3-164.3-108.6 142.2 -1.6 -10.2 4.9 4 4 A A E -ab 38 62A 0 57,-2.2 59,-3.0 -2,-0.4 2,-0.4 -0.979 5.8-169.4-122.6 135.4 1.6 -12.0 6.0 5 5 A I E +ab 39 63A 0 33,-2.6 35,-2.0 -2,-0.4 2,-0.3 -0.985 10.3 170.9-126.7 137.6 4.0 -10.5 8.5 6 6 A I E - b 0 64A 0 57,-2.1 59,-3.0 -2,-0.4 2,-0.5 -0.945 34.3-121.1-140.4 160.6 7.5 -11.8 9.2 7 7 A N E - b 0 65A 6 33,-0.4 3,-0.2 -2,-0.3 59,-0.1 -0.911 23.6-142.5-101.8 130.8 10.6 -10.8 11.1 8 8 A M S S+ 0 0 0 57,-2.1 76,-0.2 -2,-0.5 75,-0.2 0.606 88.1 9.0 -72.7 -10.6 13.6 -10.7 8.8 9 9 A G S S+ 0 0 5 56,-0.2 2,-0.4 1,-0.2 71,-0.3 0.336 110.4 71.3-154.4 16.5 16.2 -12.0 11.2 10 10 A N S S- 0 0 63 69,-0.3 -3,-0.2 -3,-0.2 -1,-0.2 -0.999 73.5-114.7-140.8 138.1 14.7 -13.3 14.4 11 11 A N - 0 0 66 -2,-0.4 2,-0.5 30,-0.1 9,-0.1 -0.352 29.3-142.5 -66.9 148.0 12.7 -16.4 15.3 12 12 A V + 0 0 3 1,-0.1 31,-0.2 31,-0.1 3,-0.1 -0.965 46.9 124.8-119.6 120.3 9.2 -15.7 16.5 13 13 A I - 0 0 97 -2,-0.5 34,-0.4 1,-0.4 2,-0.2 0.499 69.2 -38.2-133.6 -66.7 7.6 -17.8 19.2 14 14 A N S > S- 0 0 51 32,-0.1 3,-0.6 33,-0.1 -1,-0.4 -0.609 73.3 -64.8-146.0-153.3 6.3 -15.9 22.2 15 15 A F T 3 S+ 0 0 40 1,-0.2 225,-0.4 -2,-0.2 226,-0.3 0.294 98.9 95.2 -93.1 13.3 7.0 -13.0 24.5 16 16 A K T 3 S+ 0 0 164 223,-0.1 2,-0.3 224,-0.1 -1,-0.2 0.625 87.9 44.4 -77.0 -13.2 10.2 -14.4 26.0 17 17 A T S <> S- 0 0 65 -3,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.956 80.7-129.6-129.4 150.3 12.4 -12.5 23.5 18 18 A V H > S+ 0 0 60 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.934 104.6 48.7 -66.5 -50.4 12.1 -8.9 22.3 19 19 A P H > S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.887 114.8 47.8 -58.7 -37.6 12.1 -9.3 18.5 20 20 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 111.0 51.5 -66.8 -45.9 9.5 -12.0 18.8 21 21 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.923 109.6 49.3 -56.2 -48.6 7.4 -9.8 21.2 22 22 A E H X S+ 0 0 43 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.901 110.9 49.4 -60.0 -42.4 7.5 -6.9 18.7 23 23 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.895 113.1 46.8 -65.4 -39.1 6.4 -9.1 15.8 24 24 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.877 109.9 53.1 -70.4 -38.4 3.5 -10.5 17.8 25 25 A Y H X S+ 0 0 17 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.908 111.6 46.7 -62.7 -40.9 2.4 -7.1 19.0 26 26 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.911 110.6 51.7 -67.2 -42.5 2.3 -5.9 15.4 27 27 A F H X S+ 0 0 37 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 114.0 46.1 -58.0 -43.9 0.4 -9.0 14.3 28 28 A K H X S+ 0 0 67 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 111.6 48.2 -67.5 -44.6 -2.1 -8.3 17.1 29 29 A V H X S+ 0 0 5 -4,-2.8 4,-0.5 2,-0.2 -1,-0.2 0.861 113.3 49.0 -66.8 -32.8 -2.5 -4.5 16.4 30 30 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.5 2,-0.2 3,-0.9 0.900 112.0 48.3 -71.7 -39.8 -3.0 -5.3 12.7 31 31 A S H ><5S+ 0 0 44 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.877 105.6 60.6 -65.9 -35.9 -5.5 -8.0 13.5 32 32 A E H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.647 96.5 59.1 -68.0 -15.5 -7.2 -5.5 15.9 33 33 A M T <<5S- 0 0 11 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.155 127.8 -94.6 -99.0 20.6 -7.9 -3.1 13.0 34 34 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.572 80.3 136.7 83.4 12.9 -10.0 -5.7 11.2 35 35 A L < - 0 0 29 -5,-1.5 2,-0.8 -33,-0.0 -1,-0.2 -0.665 55.5-124.2 -97.2 149.1 -7.3 -7.1 8.9 36 36 A N E +a 2 0A 94 -35,-0.5 -33,-2.9 -2,-0.3 2,-0.4 -0.794 45.6 163.7 -90.1 109.5 -6.6 -10.8 8.1 37 37 A V E -a 3 0A 8 -2,-0.8 2,-0.4 -35,-0.2 -33,-0.2 -0.972 24.9-166.8-135.7 145.6 -2.9 -11.5 9.0 38 38 A D E -a 4 0A 32 -35,-2.0 -33,-2.6 -2,-0.4 2,-0.5 -0.959 19.6-136.1-124.0 144.1 -0.6 -14.5 9.6 39 39 A I E -ac 5 48A 2 8,-0.7 10,-2.0 -2,-0.4 2,-0.5 -0.878 20.7-157.6 -97.6 129.7 2.8 -14.4 11.1 40 40 A I E + c 0 49A 0 -35,-2.0 -33,-0.4 -2,-0.5 10,-0.2 -0.949 26.5 148.4-110.7 126.5 5.2 -16.7 9.1 41 41 A S E - c 0 50A 5 8,-3.1 10,-1.9 -2,-0.5 -30,-0.1 -0.656 60.8 -69.4-137.6-165.4 8.3 -18.0 10.9 42 42 A L S S+ 0 0 40 8,-0.2 10,-0.4 -2,-0.2 2,-0.3 0.901 109.8 9.2 -60.7 -45.0 10.6 -21.0 11.1 43 43 A K S S- 0 0 161 -31,-0.2 -2,-0.2 7,-0.2 2,-0.1 -0.847 87.2 -86.1-133.9 169.0 8.1 -23.4 12.6 44 44 A N + 0 0 84 -2,-0.3 2,-0.3 5,-0.1 5,-0.2 -0.459 59.2 147.4 -71.4 147.9 4.4 -23.7 13.4 45 45 A G - 0 0 47 3,-2.3 -32,-0.1 -2,-0.1 -31,-0.0 -0.899 62.5 -66.3-161.9-171.2 3.5 -22.3 16.8 46 46 A V S S+ 0 0 132 -2,-0.3 -32,-0.1 1,-0.2 -1,-0.1 0.923 134.7 17.3 -56.0 -45.9 0.8 -20.5 18.9 47 47 A Y S S+ 0 0 65 -34,-0.4 -8,-0.7 -35,-0.1 2,-0.3 0.469 120.4 71.2-106.9 -2.8 1.2 -17.4 16.8 48 48 A T E -c 39 0A 12 -10,-0.1 -3,-2.3 -35,-0.1 2,-0.3 -0.804 51.7-154.6-127.9 162.2 3.0 -18.7 13.7 49 49 A K E -c 40 0A 85 -10,-2.0 -8,-3.1 -2,-0.3 2,-0.2 -0.876 40.4-104.2-119.1 151.9 2.9 -20.7 10.5 50 50 A S E > -c 41 0A 6 -2,-0.3 3,-1.8 -10,-0.2 4,-0.3 -0.557 12.8-132.2 -83.5 143.8 6.1 -22.2 9.0 51 51 A F G > S+ 0 0 14 -10,-1.9 3,-1.0 1,-0.3 5,-0.2 0.879 110.4 55.8 -55.0 -40.2 7.8 -20.8 5.9 52 52 A D G 3 S+ 0 0 139 -10,-0.4 -1,-0.3 1,-0.2 -10,-0.1 0.511 105.5 51.8 -72.7 -6.6 7.9 -24.3 4.5 53 53 A E G < S+ 0 0 127 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.283 103.4 55.8-116.9 12.0 4.2 -24.8 4.8 54 54 A V S < S- 0 0 38 -3,-1.0 2,-0.7 -4,-0.3 3,-0.1 -0.948 73.3-123.5-139.7 159.4 2.8 -21.7 3.0 55 55 A D > - 0 0 82 -2,-0.3 3,-2.5 1,-0.1 4,-0.2 -0.925 17.5-149.2-105.3 113.7 3.1 -20.1 -0.4 56 56 A V G > S+ 0 0 4 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.789 95.5 61.3 -52.9 -30.4 4.3 -16.5 0.0 57 57 A N G 3 S+ 0 0 58 1,-0.3 -1,-0.3 32,-0.1 5,-0.0 0.388 83.5 77.4 -81.6 6.9 2.3 -15.5 -3.1 58 58 A D G < S+ 0 0 100 -3,-2.5 2,-0.4 2,-0.0 -1,-0.3 0.493 85.4 81.4 -87.4 -5.7 -1.0 -16.5 -1.5 59 59 A Y < - 0 0 19 -3,-1.3 -56,-0.2 -4,-0.2 3,-0.1 -0.812 69.1-153.0-103.2 142.4 -0.7 -13.3 0.4 60 60 A D S S+ 0 0 63 -58,-2.4 2,-0.3 -2,-0.4 -57,-0.2 0.669 85.4 28.5 -84.8 -20.9 -1.7 -9.9 -1.1 61 61 A R E -b 3 0A 50 -59,-1.3 -57,-2.2 31,-0.1 2,-0.5 -0.997 65.4-158.2-142.9 135.7 0.7 -7.9 1.1 62 62 A L E -bd 4 94A 0 31,-0.8 33,-2.7 -2,-0.3 2,-0.4 -0.967 11.8-169.7-117.9 117.0 4.0 -9.0 2.7 63 63 A I E -bd 5 95A 0 -59,-3.0 -57,-2.1 -2,-0.5 2,-0.5 -0.901 2.8-163.7-108.0 133.3 5.2 -6.9 5.7 64 64 A V E -bd 6 96A 0 31,-3.1 33,-2.8 -2,-0.4 2,-0.4 -0.964 12.9-141.8-123.7 122.4 8.7 -7.4 7.1 65 65 A V E -bd 7 97A 6 -59,-3.0 -57,-2.1 -2,-0.5 -56,-0.2 -0.655 37.0-106.9 -79.0 130.9 9.8 -6.2 10.5 66 66 A N + 0 0 9 31,-1.9 2,-0.3 -2,-0.4 -57,-0.1 -0.157 49.6 158.0 -60.6 150.3 13.4 -4.8 10.3 67 67 A S - 0 0 3 36,-0.3 2,-0.2 -59,-0.1 -57,-0.0 -0.972 44.0 -89.0-161.7 166.9 16.3 -6.8 11.7 68 68 A S - 0 0 49 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.512 23.7-161.7 -80.1 154.1 20.0 -7.2 11.5 69 69 A I + 0 0 11 -2,-0.2 2,-0.1 38,-0.1 -1,-0.1 0.131 43.6 134.3-121.2 15.5 21.3 -9.7 8.8 70 70 A N - 0 0 85 1,-0.0 2,-0.4 10,-0.0 -2,-0.1 -0.413 41.7-151.8 -70.4 142.2 24.7 -10.1 10.3 71 71 A F - 0 0 18 -2,-0.1 2,-0.1 40,-0.1 3,-0.1 -0.880 14.5-179.6-113.5 146.3 26.2 -13.5 10.7 72 72 A F - 0 0 159 -2,-0.4 5,-0.1 1,-0.3 -1,-0.0 -0.272 43.9 -40.2-121.4-151.4 28.7 -14.6 13.3 73 73 A G S S+ 0 0 72 -2,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.262 96.0 27.9 -75.7 166.3 30.4 -17.9 14.0 74 74 A G S S+ 0 0 61 -3,-0.1 3,-0.1 3,-0.0 -3,-0.0 -0.358 98.5 0.6 89.8-166.0 28.8 -21.2 13.9 75 75 A K S S- 0 0 187 1,-0.1 -3,-0.2 -2,-0.1 2,-0.0 -0.133 88.0 -79.8 -60.1 155.2 25.9 -22.8 12.0 76 76 A P - 0 0 28 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.311 43.8-120.1 -58.4 133.6 23.9 -20.7 9.4 77 77 A N >> - 0 0 67 1,-0.2 4,-2.1 -3,-0.1 3,-1.0 -0.665 28.0-171.4 -80.1 100.6 21.3 -18.5 11.1 78 78 A L H 3>>S+ 0 0 86 -2,-1.2 4,-2.3 1,-0.2 5,-0.5 0.729 78.0 70.8 -65.6 -23.2 18.1 -19.8 9.5 79 79 A A H 345S+ 0 0 9 -70,-0.2 4,-0.5 2,-0.2 -69,-0.3 0.883 111.4 32.2 -60.8 -35.9 16.1 -17.0 11.0 80 80 A I H <>5S+ 0 0 3 -3,-1.0 4,-2.3 -71,-0.3 -2,-0.2 0.940 123.0 45.0 -83.0 -55.3 17.8 -14.7 8.5 81 81 A L H X5S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.892 114.0 46.7 -59.1 -46.9 18.3 -17.1 5.6 82 82 A S H X5S+ 0 0 23 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.856 111.8 52.9 -67.4 -32.9 14.8 -18.7 5.5 83 83 A A H >X S+ 0 0 10 -4,-1.7 3,-0.6 1,-0.2 4,-0.6 0.925 112.2 46.7 -64.7 -47.2 10.8 -16.5 1.5 87 87 A M H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 43,-0.2 0.872 106.1 59.8 -63.7 -37.8 11.0 -12.8 0.5 88 88 A A H 3< S+ 0 0 27 -4,-2.5 41,-0.3 1,-0.2 -1,-0.2 0.761 102.4 53.4 -63.3 -25.8 12.9 -13.7 -2.7 89 89 A K H << S+ 0 0 134 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.650 85.3 103.9 -83.9 -16.6 10.0 -15.8 -3.9 90 90 A Y << - 0 0 6 -3,-1.0 40,-0.2 -4,-0.6 39,-0.2 -0.454 54.5-162.2 -69.9 136.2 7.4 -13.0 -3.4 91 91 A K + 0 0 177 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.270 63.8 58.3-103.9 11.1 6.3 -11.4 -6.7 92 92 A S S S- 0 0 56 1,-0.1 2,-0.1 38,-0.1 -31,-0.1 -0.593 98.0 -52.4-127.0-170.3 4.8 -8.2 -5.4 93 93 A K - 0 0 36 -2,-0.2 -31,-0.8 37,-0.1 2,-0.4 -0.402 47.7-144.7 -70.3 139.4 5.8 -5.1 -3.3 94 94 A I E -de 62 132A 0 37,-2.4 39,-3.0 -2,-0.1 2,-0.7 -0.889 3.6-146.6-106.9 134.8 7.4 -5.7 0.1 95 95 A Y E -de 63 133A 9 -33,-2.7 -31,-3.1 -2,-0.4 2,-0.6 -0.895 12.7-160.6-104.3 113.7 6.6 -3.3 3.0 96 96 A Y E -de 64 134A 0 37,-2.8 39,-2.7 -2,-0.7 2,-0.9 -0.848 10.2-144.7-100.2 114.0 9.7 -2.9 5.3 97 97 A L E -de 65 135A 1 -33,-2.8 -31,-1.9 -2,-0.6 2,-0.9 -0.680 16.5-165.7 -81.5 107.5 8.9 -1.6 8.8 98 98 A F E + e 0 136A 0 37,-2.5 39,-2.4 -2,-0.9 40,-0.4 -0.767 31.2 143.9-100.8 89.6 11.9 0.6 9.6 99 99 A T + 0 0 17 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.535 63.6 53.4-102.3 -12.1 11.9 1.3 13.4 100 100 A D S > S- 0 0 23 3,-0.2 3,-2.5 1,-0.1 -1,-0.2 -0.978 70.3-146.6-130.4 118.3 15.6 1.2 14.1 101 101 A I T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.758 99.2 57.8 -53.0 -27.9 18.0 3.4 12.1 102 102 A R T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -35,-0.0 0.485 97.2 65.4 -84.2 -1.0 20.7 0.7 12.3 103 103 A L < + 0 0 33 -3,-2.5 -36,-0.3 -35,-0.1 -1,-0.2 -0.378 64.9 160.2-119.1 54.8 18.6 -2.0 10.7 104 104 A P - 0 0 34 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.346 54.0 -85.2 -72.4 157.6 17.9 -0.9 7.1 105 105 A F + 0 0 2 -9,-0.1 2,-0.3 -39,-0.1 46,-0.1 -0.396 60.0 169.1 -61.9 138.0 16.9 -3.5 4.5 106 106 A S - 0 0 18 -3,-0.1 2,-0.3 -2,-0.1 45,-0.0 -0.987 37.4-106.2-151.3 151.2 19.9 -5.2 3.1 107 107 A Q - 0 0 25 -2,-0.3 4,-0.3 1,-0.1 20,-0.1 -0.626 19.0-157.2 -80.6 136.8 20.7 -8.2 0.9 108 108 A S S >> S+ 0 0 0 18,-0.3 3,-1.0 -2,-0.3 4,-0.9 0.749 78.7 80.7 -85.2 -24.8 22.2 -11.2 2.7 109 109 A W H >> S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 3,-1.5 0.898 87.8 55.0 -48.8 -49.7 23.8 -12.8 -0.4 110 110 A P H 34 S+ 0 0 61 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.860 112.7 43.9 -53.9 -35.3 26.8 -10.5 -0.3 111 111 A N H <4 S+ 0 0 63 -3,-1.0 -2,-0.2 -4,-0.3 4,-0.1 0.536 118.5 45.5 -86.1 -8.8 27.4 -11.6 3.3 112 112 A V H X< S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.9 6,-0.2 0.855 94.0 70.2 -98.1 -49.7 26.8 -15.2 2.5 113 113 A K T 3< S+ 0 0 113 -4,-3.0 -2,-0.1 1,-0.3 -1,-0.1 0.627 105.3 45.1 -45.6 -19.3 28.8 -15.8 -0.7 114 114 A N T 3 S+ 0 0 131 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.610 90.7 102.7-102.7 -15.9 32.0 -15.5 1.3 115 115 A R S X S- 0 0 80 -3,-2.3 3,-1.5 -4,-0.1 4,-0.2 -0.205 81.6-117.1 -65.2 157.6 31.0 -17.7 4.3 116 116 A P T 3 S+ 0 0 107 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.809 118.7 48.7 -66.3 -28.7 32.4 -21.2 4.6 117 117 A W T > S+ 0 0 20 1,-0.2 3,-2.1 2,-0.1 4,-0.2 0.224 77.5 113.2 -94.1 14.2 28.8 -22.6 4.4 118 118 A A G X + 0 0 15 -3,-1.5 3,-2.1 1,-0.3 -1,-0.2 0.806 61.9 71.2 -55.1 -32.5 28.1 -20.4 1.3 119 119 A Y G 3 S+ 0 0 186 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.664 83.9 70.4 -61.1 -16.7 27.8 -23.5 -0.8 120 120 A L G < S+ 0 0 91 -3,-2.1 -1,-0.3 2,-0.0 2,-0.3 0.652 104.1 41.5 -75.5 -14.9 24.5 -24.3 0.9 121 121 A Y < - 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0 0 40 -4,-2.0 4,-1.9 1,-0.1 -1,-0.2 -0.890 54.0-177.0-119.9 105.1 7.7 17.6 46.4 317 317 A D H > S+ 0 0 81 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.813 90.4 58.5 -64.6 -29.0 5.3 14.6 46.0 318 318 A V H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 104.1 49.0 -66.8 -43.9 2.7 17.1 44.7 319 319 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 112.4 50.0 -60.1 -43.0 5.0 18.2 41.9 320 320 A R H X S+ 0 0 35 -4,-1.9 4,-2.3 -7,-0.3 -2,-0.2 0.946 112.9 44.3 -60.9 -51.3 5.6 14.5 41.0 321 321 A K H X S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 112.5 54.1 -63.2 -35.6 1.9 13.6 41.0 322 322 A E H X S+ 0 0 94 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.934 110.4 44.8 -64.7 -46.6 1.1 16.8 39.0 323 323 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.893 111.9 52.9 -66.2 -38.2 3.6 16.0 36.3 324 324 A L H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.928 108.2 50.9 -62.1 -43.3 2.5 12.3 36.1 325 325 A S H X S+ 0 0 80 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.897 110.6 50.3 -60.9 -39.5 -1.1 13.5 35.7 326 326 A I H X S+ 0 0 46 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 111.7 45.4 -65.9 -45.2 0.0 15.8 32.8 327 327 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.864 112.5 51.0 -69.9 -33.1 1.9 13.1 31.0 328 328 A H H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.875 110.1 51.5 -69.8 -34.5 -0.9 10.6 31.3 329 329 A D H X S+ 0 0 76 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.925 110.8 46.8 -65.6 -45.5 -3.3 13.2 30.0 330 330 A I H X S+ 0 0 44 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.877 110.2 53.8 -65.2 -37.2 -1.1 13.9 27.0 331 331 A L H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.7 0.947 108.2 49.5 -62.2 -46.6 -0.7 10.1 26.4 332 332 A N H 3X S+ 0 0 63 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.827 102.5 61.7 -62.8 -31.3 -4.5 9.7 26.3 333 333 A K H 3< S+ 0 0 109 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.855 108.2 44.0 -63.4 -32.7 -4.8 12.6 23.9 334 334 A T H X< S+ 0 0 28 -4,-1.2 3,-1.6 -3,-0.7 -2,-0.2 0.859 109.2 55.0 -79.2 -35.8 -2.8 10.5 21.4 335 335 A R H >< S+ 0 0 88 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.805 97.7 66.4 -66.0 -25.0 -4.7 7.3 22.2 336 336 A A T 3< S+ 0 0 81 -4,-1.7 3,-0.3 1,-0.3 -1,-0.3 0.639 94.9 58.7 -69.8 -12.9 -7.8 9.2 21.3 337 337 A K T <> + 0 0 127 -3,-1.6 4,-2.0 1,-0.2 3,-0.3 0.070 66.6 120.5-103.2 23.0 -6.5 9.4 17.7 338 338 A K H <> S+ 0 0 72 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.876 70.6 56.9 -54.2 -42.2 -6.3 5.6 17.2 339 339 A A H > S+ 0 0 50 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.920 108.7 45.4 -56.7 -47.1 -8.8 5.7 14.3 340 340 A E H > S+ 0 0 120 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.881 112.6 52.0 -64.5 -39.1 -6.6 8.1 12.4 341 341 A W H X S+ 0 0 16 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.918 110.4 47.8 -63.4 -45.4 -3.5 6.1 13.2 342 342 A Q H X S+ 0 0 36 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.920 111.3 50.4 -63.0 -44.1 -5.1 2.9 11.9 343 343 A D H X S+ 0 0 102 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.876 109.3 51.7 -62.6 -36.7 -6.3 4.6 8.7 344 344 A A H X S+ 0 0 40 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.850 108.8 50.7 -68.9 -35.1 -2.7 5.9 8.1 345 345 A F H X S+ 0 0 8 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.945 109.2 50.5 -67.2 -46.6 -1.2 2.5 8.6 346 346 A K H <>S+ 0 0 58 -4,-2.4 5,-2.9 1,-0.2 3,-0.2 0.908 111.4 49.1 -57.2 -40.4 -3.7 1.0 6.1 347 347 A K H ><5S+ 0 0 145 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.890 105.2 58.1 -66.4 -38.5 -2.8 3.7 3.6 348 348 A A H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.6 45.2 -61.3 -33.1 0.9 3.0 4.2 349 349 A I T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.057 124.7-103.7 -99.8 26.6 0.5 -0.6 3.1 350 350 A D T < 5 0 0 64 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.830 360.0 360.0 58.0 42.5 -1.7 0.5 0.1 351 351 A L < 0 0 77 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.744 360.0 360.0-110.5 360.0 -5.1 -0.4 1.5