==== 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 24-DEC-03 1V7X . COMPND 2 MOLECULE: CHITOBIOSE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PROTEOLYTICUS; . AUTHOR M.HIDAKA,Y.HONDA,S.NIRASAWA,M.KITAOKA,K.HAYASHI,T.WAKAGI,H.S . 779 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 586 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 78 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 3 0 2 1 1 1 1 3 1 1 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 13 9 4 5 4 3 0 4 1 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 . 6 1 1 1 2 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 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 78 0, 0.0 656,-2.1 0, 0.0 657,-0.4 0.000 360.0 360.0 360.0 134.8 89.3 24.8 27.9 2 2 A K - 0 0 114 653,-0.2 653,-0.1 654,-0.2 3,-0.1 -0.871 360.0-165.3-127.8 162.0 86.9 25.9 25.1 3 3 A Y S S- 0 0 29 651,-0.4 13,-1.9 -2,-0.3 14,-1.1 0.274 73.9 -13.3-126.6 4.6 83.2 25.7 24.5 4 4 A G E -A 15 0A 2 650,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.948 59.5-121.4-176.3-163.8 83.2 26.4 20.7 5 5 A Y E -A 14 0A 97 9,-2.0 9,-2.8 -2,-0.3 2,-0.4 -0.987 30.3 -94.6-161.6 159.4 85.1 27.7 17.7 6 6 A F E -A 13 0A 21 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.675 24.6-157.5 -83.1 128.7 85.0 30.3 14.9 7 7 A D E >> -A 12 0A 22 5,-3.1 5,-1.8 -2,-0.4 4,-0.9 -0.828 13.1-179.6-106.0 88.6 83.3 29.2 11.7 8 8 A N T 45S+ 0 0 74 -2,-0.9 3,-0.5 1,-0.2 -1,-0.2 0.862 75.3 59.4 -57.3 -40.0 84.9 31.6 9.2 9 9 A D T 45S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.900 117.5 28.7 -57.9 -45.8 83.0 30.2 6.2 10 10 A N T 45S- 0 0 76 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.377 104.6-123.1 -98.8 4.8 79.6 30.9 7.6 11 11 A R T <5S+ 0 0 54 -4,-0.9 93,-0.5 -3,-0.5 2,-0.3 0.941 70.9 122.1 53.1 51.9 80.6 33.9 9.8 12 12 A E E < -AB 7 103A 2 -5,-1.8 -5,-3.1 91,-0.2 2,-0.6 -0.951 62.8-130.7-139.5 156.4 79.3 32.3 12.9 13 13 A Y E -AB 6 102A 0 89,-2.2 89,-2.3 -2,-0.3 2,-0.6 -0.965 28.0-146.3-109.5 122.2 80.7 31.3 16.3 14 14 A V E -AB 5 101A 0 -9,-2.8 -9,-2.0 -2,-0.6 2,-0.7 -0.810 7.4-159.7 -97.1 119.5 79.7 27.7 17.0 15 15 A I E -AB 4 100A 0 85,-3.6 85,-2.3 -2,-0.6 -11,-0.3 -0.874 8.0-176.1 -96.9 116.4 79.1 26.8 20.7 16 16 A T S S+ 0 0 70 -13,-1.9 82,-0.3 -2,-0.7 -12,-0.2 0.624 71.0 32.5 -89.3 -17.4 79.5 23.0 21.0 17 17 A R - 0 0 103 -14,-1.1 -1,-0.2 80,-0.1 3,-0.1 -0.953 66.6-150.1-144.9 123.2 78.5 22.6 24.6 18 18 A P S S+ 0 0 2 0, 0.0 2,-0.9 0, 0.0 69,-0.1 0.484 76.4 91.9 -68.7 -9.4 75.9 24.8 26.4 19 19 A D + 0 0 51 2,-0.1 21,-0.0 67,-0.0 74,-0.0 -0.115 55.3 157.6 -85.5 44.2 77.4 24.6 29.9 20 20 A V - 0 0 15 -2,-0.9 4,-0.0 -3,-0.1 -18,-0.0 -0.340 54.9-116.2 -63.4 143.6 79.5 27.8 29.4 21 21 A P S S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 641,-0.1 0.521 96.0 16.4 -63.3 -3.2 80.5 29.5 32.7 22 22 A A S S- 0 0 22 639,-0.2 2,-0.3 640,-0.0 -2,-0.1 -0.982 97.9 -79.4-160.2 161.7 78.5 32.6 31.7 23 23 A P - 0 0 51 0, 0.0 2,-0.7 0, 0.0 640,-0.2 -0.528 38.0-153.1 -69.9 129.3 75.8 33.6 29.2 24 24 A W - 0 0 0 -2,-0.3 15,-0.9 638,-0.1 2,-0.1 -0.921 25.0-162.8-104.9 109.9 77.3 34.1 25.8 25 25 A T E -K 38 0B 6 -2,-0.7 2,-0.3 13,-0.2 13,-0.2 -0.403 19.9-169.3 -98.0 168.4 75.0 36.6 24.0 26 26 A N E -K 37 0B 0 11,-2.0 11,-2.3 -2,-0.1 2,-0.5 -0.953 23.4-119.8-147.1 158.5 74.2 38.0 20.6 27 27 A Y E -K 36 0B 2 -2,-0.3 78,-0.5 9,-0.2 2,-0.4 -0.921 19.8-164.9-111.4 127.2 72.1 40.9 19.3 28 28 A L E +K 35 0B 0 7,-2.5 7,-2.0 -2,-0.5 78,-0.1 -0.863 51.9 48.7-105.9 142.5 69.1 40.4 17.0 29 29 A G - 0 0 3 -2,-0.4 5,-0.1 76,-0.4 97,-0.1 0.035 43.7-159.8 107.4 144.2 67.7 43.4 15.1 30 30 A T S S+ 0 0 17 3,-0.2 4,-0.1 95,-0.1 -1,-0.1 0.350 82.8 33.9-135.9 -2.3 69.1 46.2 12.9 31 31 A E S S- 0 0 77 2,-0.4 3,-0.1 97,-0.1 98,-0.1 0.637 123.0 -42.1-120.5 -84.7 66.3 48.8 13.1 32 32 A K S S+ 0 0 77 96,-0.2 16,-2.9 1,-0.2 2,-0.6 0.629 111.5 75.3-125.6 -32.4 64.2 49.5 16.1 33 33 A F E - L 0 47B 1 95,-0.3 -2,-0.4 14,-0.2 2,-0.3 -0.771 64.4-178.4 -87.8 123.5 63.2 46.0 17.6 34 34 A C E - L 0 46B 0 12,-2.8 12,-2.3 -2,-0.6 2,-0.4 -0.937 16.9-165.9-128.3 148.4 66.1 44.5 19.4 35 35 A T E -KL 28 45B 0 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.8 -0.996 9.8-158.9-134.0 127.9 66.8 41.2 21.2 36 36 A V E +KL 27 44B 0 8,-2.8 8,-1.5 -2,-0.4 2,-0.4 -0.932 30.7 176.4-103.6 108.5 69.7 40.4 23.6 37 37 A I E -KL 26 43B 0 -11,-2.3 -11,-2.0 -2,-0.8 6,-0.2 -0.936 18.6-147.3-122.3 140.7 69.7 36.6 23.5 38 38 A S E > -K 25 0B 0 4,-2.8 3,-2.1 -2,-0.4 -13,-0.2 -0.453 36.8 -99.5 -97.5 173.6 72.1 34.1 25.1 39 39 A H T 3 S+ 0 0 1 -15,-0.9 47,-0.4 1,-0.3 -14,-0.1 0.546 127.4 53.5 -68.8 -6.1 73.3 30.7 24.0 40 40 A N T 3 S- 0 0 12 2,-0.1 -1,-0.3 45,-0.1 45,-0.1 0.045 121.1-109.8-113.0 21.3 70.6 29.3 26.4 41 41 A A S < S+ 0 0 0 -3,-2.1 28,-2.0 1,-0.2 2,-0.2 0.655 74.4 141.0 59.7 16.8 67.9 31.4 24.8 42 42 A G B +N 68 0C 0 26,-0.2 -4,-2.8 24,-0.1 2,-0.3 -0.560 30.5 70.9 -83.9 155.3 67.8 33.5 27.9 43 43 A G E -L 37 0B 0 24,-2.0 2,-0.3 -6,-0.2 -6,-0.2 -0.884 63.3-100.3 137.3-168.0 67.3 37.2 27.4 44 44 A Y E -L 36 0B 0 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.3 -0.951 12.8-130.8-153.8 168.7 64.8 39.9 26.3 45 45 A S E +L 35 0B 0 -2,-0.3 10,-3.2 -10,-0.2 11,-1.2 -0.856 20.3 178.0-122.8 158.5 63.6 42.2 23.6 46 46 A F E -LM 34 54B 2 -12,-2.3 -12,-2.8 -2,-0.3 2,-0.5 -0.961 25.1-126.0-153.2 162.9 62.8 45.9 23.5 47 47 A Y E S-L 33 0B 36 6,-2.1 2,-2.8 2,-0.5 -14,-0.2 -0.964 72.3 -47.9-121.9 115.2 61.6 48.5 21.0 48 48 A N S S+ 0 0 46 -16,-2.9 -15,-0.1 -2,-0.5 6,-0.0 -0.319 131.8 49.0 64.7 -66.4 63.7 51.7 20.5 49 49 A S > - 0 0 8 -2,-2.8 4,-2.1 1,-0.1 -2,-0.5 -0.911 63.9-164.7-106.4 116.5 64.0 52.5 24.2 50 50 A P T 4 S+ 0 0 15 0, 0.0 4,-0.3 0, 0.0 110,-0.2 0.880 91.3 51.8 -67.1 -30.9 65.1 49.6 26.5 51 51 A E T 4 S+ 0 0 8 1,-0.2 109,-2.2 2,-0.1 110,-0.4 0.846 124.7 21.4 -72.3 -37.1 64.0 51.5 29.5 52 52 A Y T 4 S+ 0 0 111 107,-0.2 -1,-0.2 1,-0.1 -4,-0.0 0.504 127.0 43.1-113.2 -6.4 60.4 52.4 28.4 53 53 A N < + 0 0 19 -4,-2.1 -6,-2.1 106,-0.0 106,-0.2 -0.141 65.6 154.4-133.9 42.1 59.6 49.8 25.7 54 54 A R B -M 46 0B 2 104,-2.4 104,-0.3 -4,-0.3 -8,-0.3 -0.490 23.4-166.2 -67.6 141.0 60.9 46.5 27.0 55 55 A V + 0 0 0 -10,-3.2 101,-2.7 1,-0.3 2,-0.3 0.834 66.4 22.4 -99.2 -43.8 58.9 43.7 25.4 56 56 A T B S-O 155 0D 3 -11,-1.2 -1,-0.3 99,-0.3 99,-0.2 -0.934 87.5-102.5-126.3 151.5 59.7 40.6 27.4 57 57 A K - 0 0 17 97,-2.6 2,-0.3 -2,-0.3 -14,-0.2 -0.157 25.7-166.3 -73.9 164.1 61.0 40.3 31.0 58 58 A F - 0 0 11 282,-0.1 -14,-0.1 -14,-0.1 10,-0.1 -0.926 14.5-156.3-153.2 123.0 64.5 39.6 32.3 59 59 A R B -P 66 0E 110 7,-3.4 7,-0.7 -2,-0.3 3,-0.4 -0.874 35.4-158.0 -99.5 99.9 65.5 38.7 35.9 60 60 A P + 0 0 41 0, 0.0 3,-0.1 0, 0.0 278,-0.1 -0.209 56.4 24.6 -79.4 166.8 69.2 39.8 35.8 61 61 A N S S+ 0 0 170 276,-0.5 2,-0.2 1,-0.2 4,-0.1 0.806 89.7 124.4 51.4 39.5 72.3 39.0 37.7 62 62 A A S S- 0 0 66 -3,-0.4 -1,-0.2 2,-0.3 -3,-0.0 -0.734 78.5-101.7-120.7 170.9 71.1 35.5 38.8 63 63 A T S S+ 0 0 142 -2,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.764 112.0 43.8 -64.7 -24.4 72.5 32.0 38.4 64 64 A F S S- 0 0 92 -5,-0.1 2,-1.1 -4,-0.1 -2,-0.3 -0.909 83.9-130.8-117.8 147.5 70.1 31.4 35.5 65 65 A D - 0 0 13 -2,-0.3 -22,-0.2 -4,-0.1 -27,-0.1 -0.763 50.5-153.5-100.5 88.8 69.4 34.0 32.7 66 66 A R B +P 59 0E 7 -2,-1.1 -7,-3.4 -7,-0.7 2,-0.2 -0.887 44.9 22.0-132.3 160.0 65.6 33.9 32.7 67 67 A P S S+ 0 0 1 0, 0.0 -24,-2.0 0, 0.0 2,-0.2 0.643 73.6 152.0 -79.4-167.1 63.1 34.3 31.4 68 68 A G B -N 42 0C 2 -26,-0.3 2,-0.8 -2,-0.2 -26,-0.2 -0.794 54.5 -66.8-156.7-160.0 63.8 33.9 27.6 69 69 A H + 0 0 0 -28,-2.0 2,-0.3 -2,-0.2 84,-0.2 -0.825 66.0 176.7-109.2 89.0 62.4 33.0 24.2 70 70 A Y E -Q 152 0F 0 82,-1.8 82,-1.3 -2,-0.8 2,-0.4 -0.692 30.1-163.8-104.8 151.4 61.9 29.3 24.7 71 71 A V E -Q 151 0F 0 -2,-0.3 13,-2.1 80,-0.2 2,-0.4 -0.986 15.2-160.3-129.3 115.3 60.5 26.4 22.7 72 72 A Y E -QR 150 83F 0 78,-3.0 78,-2.5 -2,-0.4 2,-0.4 -0.818 2.4-158.6 -98.2 136.0 59.7 23.2 24.7 73 73 A L E -QR 149 82F 0 9,-3.8 9,-2.5 -2,-0.4 2,-0.4 -0.921 9.0-169.6-113.7 142.5 59.3 19.9 22.9 74 74 A R E -QR 148 81F 33 74,-2.1 74,-2.6 -2,-0.4 2,-1.0 -0.998 23.4-138.0-136.8 133.2 57.4 17.0 24.4 75 75 A D E >> -Q 147 0F 9 5,-3.1 4,-3.3 -2,-0.4 3,-0.7 -0.805 17.9-160.8 -87.6 107.0 57.1 13.4 23.4 76 76 A D T 34 S+ 0 0 34 70,-2.4 -1,-0.1 -2,-1.0 71,-0.1 0.543 85.2 59.9 -69.7 -4.3 53.4 12.8 23.9 77 77 A D T 34 S+ 0 0 114 69,-0.5 -1,-0.2 3,-0.1 70,-0.1 0.809 123.6 17.4 -89.0 -33.1 53.9 9.0 24.1 78 78 A S T <4 S- 0 0 79 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.615 95.9-124.5-111.2 -21.1 56.2 9.1 27.1 79 79 A G < + 0 0 23 -4,-3.3 -3,-0.2 1,-0.3 2,-0.1 0.465 60.8 145.5 87.7 0.5 55.6 12.5 28.5 80 80 A D - 0 0 42 -5,-0.4 -5,-3.1 -6,-0.1 2,-0.3 -0.432 25.8-175.0 -71.1 145.1 59.3 13.3 28.3 81 81 A Y E +R 74 0F 35 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.982 15.3 163.8-145.2 156.8 60.1 16.9 27.5 82 82 A W E -R 73 0F 1 -9,-2.5 -9,-3.8 -2,-0.3 2,-0.3 -0.956 32.4-110.2-159.2 168.1 63.1 19.2 26.8 83 83 A S E -R 72 0F 0 3,-0.4 -11,-0.2 -2,-0.3 8,-0.1 -0.794 21.1-126.5-109.3 154.0 63.8 22.6 25.3 84 84 A I S S+ 0 0 1 -13,-2.1 2,-0.2 -2,-0.3 -1,-0.1 0.883 106.2 56.7 -65.0 -35.0 65.5 23.3 22.0 85 85 A S S S- 0 0 2 -14,-0.3 4,-0.3 1,-0.1 -2,-0.3 -0.647 101.6-118.7 -87.0 153.2 67.9 25.5 23.9 86 86 A W S >>S+ 0 0 43 -47,-0.4 4,-2.6 -2,-0.2 5,-0.5 0.993 83.5 76.8 -58.2 -65.4 69.7 23.5 26.7 87 87 A Q T 45S+ 0 0 16 1,-0.2 -2,-0.1 2,-0.2 137,-0.0 -0.479 77.4 37.5 -73.7 158.1 68.3 25.7 29.5 88 88 A P T 45S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.987 130.2 30.7 -85.0 -19.1 65.7 25.9 31.0 89 89 A V T 45S- 0 0 25 -4,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.873 87.2-160.1 -66.8 -33.9 64.8 22.2 30.9 90 90 A A T <5 - 0 0 37 -4,-2.6 -3,-0.2 -5,-0.2 3,-0.1 0.907 5.8-161.8 55.3 52.2 68.5 21.3 31.1 91 91 A K < - 0 0 36 -5,-0.5 -1,-0.1 -8,-0.1 5,-0.1 -0.354 40.1 -78.7 -61.2 142.1 68.3 17.8 29.8 92 92 A S >> - 0 0 48 1,-0.2 4,-2.8 2,-0.1 3,-1.6 -0.107 30.8-138.0 -45.9 132.8 71.5 15.8 30.6 93 93 A L T 34 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.471 105.4 62.6 -73.9 -1.0 74.4 16.6 28.3 94 94 A D T 34 S+ 0 0 160 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.563 114.7 33.0 -94.1 -13.2 75.2 12.9 28.3 95 95 A E T <4 S+ 0 0 118 -3,-1.6 19,-0.6 1,-0.2 2,-0.4 0.744 119.4 45.0-109.4 -38.7 71.8 12.3 26.7 96 96 A A E < - C 0 113A 4 -4,-2.8 2,-0.5 17,-0.1 -1,-0.2 -0.909 66.0-145.7-116.1 140.5 71.2 15.4 24.5 97 97 A Q E - C 0 112A 115 15,-2.4 15,-2.3 -2,-0.4 2,-0.4 -0.907 20.8-168.0-104.3 124.6 73.6 17.1 22.1 98 98 A Y E + C 0 111A 6 -2,-0.5 2,-0.3 -82,-0.3 13,-0.2 -0.869 9.6 179.4-115.4 145.0 73.3 20.9 21.9 99 99 A Q E - C 0 110A 36 11,-2.2 11,-2.4 -2,-0.4 2,-0.4 -0.993 6.4-167.5-144.3 136.4 74.8 23.3 19.4 100 100 A I E -BC 15 109A 5 -85,-2.3 -85,-3.6 -2,-0.3 2,-0.6 -0.990 3.0-165.7-127.4 129.6 74.4 27.1 19.1 101 101 A R E -BC 14 108A 45 7,-3.0 7,-3.0 -2,-0.4 2,-0.6 -0.939 6.1-162.5-116.4 107.8 75.5 29.2 16.1 102 102 A H E +BC 13 107A 0 -89,-2.3 -89,-2.2 -2,-0.6 5,-0.2 -0.824 20.9 171.5 -89.7 120.0 75.6 32.9 16.8 103 103 A G E > -BC 12 106A 0 3,-3.0 3,-1.0 -2,-0.6 2,-1.0 -0.567 47.3 -64.6-117.6-177.0 75.7 34.8 13.5 104 104 A L T 3 S- 0 0 6 -93,-0.5 193,-0.2 1,-0.3 3,-0.1 -0.622 119.8 -15.4 -77.6 103.6 75.4 38.4 12.6 105 105 A S T 3 S+ 0 0 2 -2,-1.0 19,-0.5 -78,-0.5 -76,-0.4 0.737 130.0 69.4 74.3 27.9 71.9 39.4 13.6 106 106 A Y E < -CD 103 123A 3 -3,-1.0 -3,-3.0 17,-0.2 2,-0.4 -0.956 59.5-154.3-166.3 151.3 70.6 35.8 14.1 107 107 A S E -CD 102 122A 0 15,-2.3 15,-2.7 -2,-0.3 2,-0.5 -0.997 7.7-154.3-136.1 130.3 71.1 32.9 16.4 108 108 A K E -CD 101 121A 64 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.4 -0.914 8.7-165.8-107.8 125.0 70.6 29.2 15.5 109 109 A F E -CD 100 120A 1 11,-3.3 11,-2.7 -2,-0.5 2,-0.4 -0.906 8.5-174.7-109.8 135.7 69.8 26.7 18.3 110 110 A Q E -CD 99 119A 41 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.4 -0.990 8.7-179.8-135.4 141.4 70.0 23.0 17.7 111 111 A C E -CD 98 118A 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.5 -0.987 8.8-171.5-142.8 128.8 69.2 19.9 19.8 112 112 A D E +CD 97 117A 50 -15,-2.3 -15,-2.4 -2,-0.4 2,-0.3 -0.979 25.6 158.2-118.4 115.3 69.5 16.2 19.0 113 113 A Y E > -CD 96 116A 15 3,-2.3 3,-1.1 -2,-0.5 -17,-0.1 -0.919 58.7 -29.8-150.3 121.3 67.9 14.1 21.6 114 114 A N T 3 S- 0 0 105 -19,-0.6 27,-0.1 -2,-0.3 3,-0.1 0.867 126.3 -36.4 43.9 54.0 66.5 10.5 21.7 115 115 A G T 3 S+ 0 0 23 1,-0.2 25,-1.7 25,-0.1 26,-1.0 0.551 116.5 104.6 83.9 6.9 65.5 10.3 18.1 116 116 A I E < -DE 113 139A 0 -3,-1.1 -3,-2.3 23,-0.2 2,-0.5 -0.979 49.4-163.0-127.3 122.8 64.3 13.9 17.6 117 117 A H E +DE 112 138A 21 21,-3.2 21,-3.5 -2,-0.5 2,-0.4 -0.875 16.9 179.1-100.8 131.0 66.3 16.6 15.7 118 118 A A E -DE 111 137A 0 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.4 -0.997 11.4-175.3-139.2 138.4 65.2 20.1 16.4 119 119 A R E -DE 110 136A 88 17,-2.8 17,-2.6 -2,-0.4 2,-0.4 -0.974 1.8-174.3-130.9 144.6 66.4 23.5 15.2 120 120 A K E -DE 109 135A 0 -11,-2.7 -11,-3.3 -2,-0.4 2,-0.6 -0.954 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-75,-0.8 4,-0.6 0.393 78.4 -82.4 94.1 135.6 51.4 46.5 17.4 270 270 A K T 34 S+ 0 0 81 -77,-2.5 2,-0.3 1,-0.2 -2,-0.1 -0.321 111.5 21.7 -65.0 150.9 47.8 45.5 16.7 271 271 A G T 3> S+ 0 0 39 1,-0.1 4,-1.4 4,-0.0 -1,-0.2 -0.038 101.3 88.4 83.1 -33.7 47.2 43.9 13.4 272 272 A N H <> S+ 0 0 33 -3,-0.8 4,-3.2 -2,-0.3 5,-0.3 0.861 81.3 56.6 -67.3 -37.2 50.8 42.8 12.8 273 273 A G H X S+ 0 0 1 -4,-0.6 4,-2.3 1,-0.2 5,-0.3 0.942 108.5 44.9 -60.4 -50.5 50.4 39.4 14.5 274 274 A E H > S+ 0 0 62 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.863 116.8 48.7 -61.0 -37.4 47.6 38.2 12.4 275 275 A R H X S+ 0 0 102 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.957 113.7 42.4 -68.4 -53.5 49.4 39.4 9.3 276 276 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.842 109.0 56.4 -67.1 -34.9 52.8 38.0 10.0 277 277 A R H < S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.890 114.6 42.3 -63.8 -34.0 51.6 34.6 11.2 278 278 A E H >< S+ 0 0 133 -4,-1.0 3,-1.2 -5,-0.3 4,-0.4 0.908 112.8 52.7 -75.3 -44.7 49.8 34.3 7.8 279 279 A H H >< S+ 0 0 86 -4,-2.7 3,-1.1 1,-0.3 6,-0.3 0.921 110.6 47.2 -57.0 -48.0 52.7 35.7 5.8 280 280 A Y T 3< S+ 0 0 8 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.405 83.8 88.8 -79.4 3.2 55.2 33.2 7.3 281 281 A Q T < S+ 0 0 95 -3,-1.2 2,-1.0 1,-0.2 -1,-0.2 0.762 82.1 68.2 -68.8 -21.9 52.9 30.2 6.7 282 282 A D S X> S- 0 0 88 -3,-1.1 3,-2.5 -4,-0.4 4,-0.6 -0.871 82.9-157.4 -95.1 101.5 54.8 30.2 3.4 283 283 A V H >> S+ 0 0 51 -2,-1.0 4,-2.1 1,-0.3 3,-0.7 0.711 85.6 74.2 -55.6 -21.1 58.2 29.2 4.7 284 284 A A H 3> S+ 0 0 49 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.803 91.8 56.1 -63.6 -26.8 59.7 30.8 1.5 285 285 A N H <> S+ 0 0 48 -3,-2.5 4,-1.7 -6,-0.3 -1,-0.3 0.783 105.2 51.0 -75.0 -26.4 58.9 34.2 3.1 286 286 A I H < S+ 0 0 31 -4,-1.1 3,-1.2 -5,-0.3 4,-0.2 0.926 113.5 49.6 -71.2 -47.0 78.8 45.8 5.2 301 301 A C H >< S+ 0 0 0 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.893 103.4 61.7 -59.6 -41.1 81.6 43.2 5.6 302 302 A A T 3< S+ 0 0 57 -4,-2.3 3,-0.3 -5,-0.3 -1,-0.2 0.643 87.7 73.3 -62.0 -15.2 82.6 43.5 1.9 303 303 A K T < S+ 0 0 68 -3,-1.2 427,-2.7 -4,-0.3 -1,-0.3 0.628 113.3 17.5 -77.7 -11.6 83.4 47.2 2.3 304 304 A F E < S+W 729 0H 4 -3,-1.8 2,-0.4 -4,-0.2 -1,-0.3 -0.747 73.6 162.0-160.3 106.9 86.6 46.3 4.2 305 305 A Q E -W 728 0H 52 423,-1.7 423,-2.5 -3,-0.3 2,-0.4 -0.986 16.2-161.7-128.9 138.8 88.2 42.9 4.1 306 306 A V E -W 727 0H 6 -2,-0.4 2,-0.4 8,-0.2 421,-0.2 -0.942 11.8-167.5-125.7 145.9 91.7 42.0 5.1 307 307 A K E +W 726 0H 141 419,-2.5 419,-2.4 -2,-0.4 4,-0.1 -0.983 32.5 142.4-129.1 115.7 94.0 39.0 4.3 308 308 A S - 0 0 19 -2,-0.4 417,-0.1 417,-0.2 6,-0.1 -0.838 64.9 -92.0-144.2 180.0 97.1 38.9 6.5 309 309 A P S S+ 0 0 72 0, 0.0 2,-0.9 0, 0.0 416,-0.1 0.664 105.3 80.5 -71.4 -16.3 99.5 36.5 8.3 310 310 A N > - 0 0 23 1,-0.2 4,-2.3 2,-0.1 -2,-0.2 -0.805 57.2-175.5 -98.1 102.4 97.4 37.0 11.5 311 311 A Q H > S+ 0 0 94 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.859 84.6 56.6 -64.1 -35.5 94.4 34.7 11.4 312 312 A G H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 109.3 44.8 -61.5 -45.4 93.1 36.2 14.6 313 313 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.945 114.0 49.9 -63.3 -49.7 93.1 39.7 13.2 314 314 A D H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -8,-0.2 0.923 110.0 49.7 -54.8 -51.1 91.5 38.7 9.9 315 315 A T H <>S+ 0 0 6 -4,-2.7 5,-0.9 1,-0.2 4,-0.4 0.902 117.5 40.2 -57.6 -43.6 88.7 36.8 11.6 316 316 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.2 6,-0.9 0.932 117.8 44.2 -74.3 -48.2 87.8 39.7 13.9 317 317 A I H 3<5S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.882 111.2 54.9 -65.5 -38.3 88.2 42.6 11.5 318 318 A N T 3<5S- 0 0 27 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.606 136.1 -21.9 -73.1 -10.0 86.4 40.8 8.7 319 319 A A T <>5S+ 0 0 4 -3,-0.8 4,-3.0 -4,-0.4 3,-0.2 0.199 123.1 52.8-155.3 -76.7 83.3 40.2 10.8 320 320 A W H > S+ 0 0 1 -6,-0.9 4,-2.8 -3,-0.2 5,-0.3 0.954 112.4 48.9 -64.9 -49.0 82.9 45.2 12.7 323 323 A Y H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.895 112.9 46.0 -55.4 -47.9 79.7 43.7 14.0 324 324 A Q H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.903 112.9 50.3 -66.4 -41.8 80.3 44.7 17.6 325 325 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 366,-0.2 -2,-0.2 0.924 112.8 45.0 -63.4 -45.8 81.3 48.2 16.7 326 326 A E H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.812 107.4 59.9 -69.5 -28.0 78.2 48.8 14.5 327 327 A T H X S+ 0 0 6 -4,-1.7 4,-2.9 -5,-0.3 5,-0.3 0.898 106.0 48.5 -64.5 -39.2 76.1 47.2 17.3 328 328 A C H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.928 111.6 48.8 -65.9 -45.3 77.3 50.0 19.6 329 329 A V H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.897 121.0 36.0 -61.6 -41.8 76.6 52.7 17.0 330 330 A V H < S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.948 130.4 26.7 -78.2 -52.2 73.0 51.4 16.4 331 331 A W H < S- 0 0 24 -4,-2.9 3,-0.5 1,-0.3 -3,-0.2 0.440 94.7-145.5 -95.1 0.0 71.9 50.2 19.8 332 332 A S < - 0 0 8 -4,-1.7 -1,-0.3 -5,-0.3 3,-0.1 -0.308 38.0 -65.4 69.2-152.1 74.0 52.4 22.0 333 333 A R S S+ 0 0 23 12,-0.4 -1,-0.2 1,-0.1 354,-0.1 0.356 107.6 79.0-120.1 7.1 75.3 51.1 25.4 334 334 A F S S+ 0 0 6 -3,-0.5 2,-0.3 11,-0.3 7,-0.2 0.128 73.0 72.9-111.4 25.6 72.4 50.5 27.6 335 335 A A + 0 0 1 -3,-0.1 2,-0.2 -4,-0.1 5,-0.2 -0.787 64.5 93.7-139.5 95.3 70.9 47.1 26.6 336 336 A S S S- 0 0 11 3,-2.5 -300,-0.1 -2,-0.3 350,-0.1 -0.657 89.3 -78.3-150.5-154.9 72.8 44.0 27.6 337 337 A F S S+ 0 0 35 -2,-0.2 -276,-0.5 -314,-0.1 3,-0.1 0.496 132.8 40.8 -96.2 -7.1 72.8 41.4 30.4 338 338 A I S S+ 0 0 82 1,-0.3 2,-0.9 347,-0.1 -1,-0.1 0.767 111.2 54.9-104.3 -42.7 74.8 44.0 32.5 339 339 A E + 0 0 44 1,-0.1 -3,-2.5 -6,-0.1 -1,-0.3 -0.858 65.4 146.2 -94.3 105.6 73.0 47.2 31.5 340 340 A V - 0 0 28 -2,-0.9 2,-0.2 1,-0.4 -1,-0.1 0.016 59.4 -11.5-133.0 28.2 69.4 46.3 32.4 341 341 A G S S+ 0 0 32 2,-0.3 2,-0.8 -7,-0.2 -1,-0.4 -0.517 98.5 45.6 147.0 145.9 67.8 49.5 33.6 342 342 A G S S+ 0 0 46 -2,-0.2 -291,-0.1 -3,-0.1 -181,-0.1 -0.848 93.1 63.8 105.7 -97.0 68.3 53.1 34.7 343 343 A R + 0 0 113 -2,-0.8 2,-0.3 2,-0.0 -2,-0.3 -0.368 66.0 158.3 -63.7 139.4 70.6 54.7 32.2 344 344 A T + 0 0 21 2,-0.1 2,-0.5 -3,-0.1 -295,-0.1 -0.973 33.7 35.9-157.3 161.5 69.1 54.9 28.7 345 345 A G S S- 0 0 14 -2,-0.3 -12,-0.4 43,-0.1 2,-0.4 -0.814 101.5 -21.9 97.5-128.9 69.6 56.9 25.5 346 346 A L E -B 387 0I 2 41,-3.5 41,-2.1 -2,-0.5 2,-0.6 -0.980 44.2-143.8-128.4 136.2 73.0 58.0 24.5 347 347 A G E > -B 386 0I 2 -2,-0.4 4,-2.5 39,-0.2 5,-0.4 -0.861 25.0-138.2 -92.0 124.6 76.2 58.5 26.5 348 348 A Y H > S+ 0 0 1 37,-2.4 4,-2.3 -2,-0.6 5,-0.2 0.932 97.1 34.7 -50.9 -62.6 77.9 61.5 24.9 349 349 A R H > S+ 0 0 6 36,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.813 116.4 58.7 -64.9 -29.8 81.6 60.5 24.9 350 350 A D H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.978 114.4 32.1 -63.9 -58.0 80.6 56.8 24.2 351 351 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.850 112.9 63.2 -69.8 -33.5 78.7 57.4 21.0 352 352 A A H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.912 113.2 36.3 -56.4 -41.1 80.9 60.3 20.0 353 353 A Q H >< S+ 0 0 3 -4,-1.7 3,-1.7 -5,-0.2 4,-0.4 0.905 114.3 55.0 -78.0 -44.1 83.8 57.8 19.9 354 354 A D H >< S+ 0 0 2 -4,-2.5 3,-2.3 1,-0.3 4,-0.5 0.912 98.5 64.5 -54.4 -45.5 81.8 54.8 18.5 355 355 A A T 3< S+ 0 0 1 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.575 91.4 64.3 -58.0 -11.2 80.6 56.9 15.6 356 356 A I T < S+ 0 0 5 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.669 92.9 67.4 -86.3 -14.5 84.2 57.2 14.2 357 357 A S S < S+ 0 0 5 -3,-2.3 3,-0.2 -4,-0.4 -2,-0.2 0.856 105.5 21.5 -78.5 -40.7 84.5 53.5 13.6 358 358 A V >> + 0 0 0 -4,-0.5 4,-2.8 -33,-0.1 3,-1.1 -0.031 66.8 125.3-125.0 38.3 82.1 52.4 10.8 359 359 A P T 34 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.784 78.8 60.8 -64.9 -19.9 81.2 55.3 8.6 360 360 A H T 34 S+ 0 0 16 -3,-0.2 -2,-0.1 2,-0.2 372,-0.1 0.765 116.1 30.1 -74.0 -27.0 82.4 53.2 5.7 361 361 A A T <4 S+ 0 0 4 -3,-1.1 -1,-0.1 1,-0.2 3,-0.1 0.798 136.4 19.4-101.2 -41.3 79.8 50.5 6.3 362 362 A N X + 0 0 9 -4,-2.8 4,-1.8 1,-0.1 -2,-0.2 -0.604 64.6 158.4-132.8 73.6 76.9 52.3 7.9 363 363 A P H > S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.843 73.9 58.7 -64.4 -33.6 77.2 56.0 6.9 364 364 A E H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 109.4 40.5 -63.6 -48.0 73.5 56.6 7.5 365 365 A M H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 114.2 55.1 -70.1 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468 A A H X S+ 0 0 18 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.892 108.2 48.2 -61.3 -37.0 82.0 76.0 20.4 448 469 A A H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.924 112.2 46.6 -68.4 -46.4 83.5 72.7 21.6 449 470 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.868 111.5 51.7 -65.2 -37.6 87.1 73.6 21.0 450 471 A D H X S+ 0 0 66 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.833 102.8 60.2 -69.3 -32.9 86.7 77.0 22.6 451 472 A F H X S+ 0 0 7 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.918 106.2 45.8 -60.9 -44.7 85.2 75.5 25.7 452 473 A S H < S+ 0 0 3 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 109.5 55.2 -70.6 -26.1 88.3 73.4 26.4 453 474 A A H < S+ 0 0 37 -4,-1.1 3,-0.2 1,-0.2 -1,-0.2 0.846 113.0 43.5 -72.8 -33.8 90.5 76.4 25.8 454 475 A E H < S+ 0 0 137 -4,-1.8 2,-1.7 1,-0.2 -2,-0.2 0.897 104.7 63.3 -77.7 -44.1 88.6 78.3 28.4 455 476 A Y S < S+ 0 0 63 -4,-2.6 8,-2.5 -5,-0.2 2,-0.3 -0.485 79.6 114.6 -87.0 71.1 88.4 75.6 31.0 456 477 A V B -I 462 0M 41 -2,-1.7 6,-0.3 6,-0.3 2,-0.1 -0.809 62.1-109.9-129.0 168.9 92.0 75.2 31.9 457 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83.2 66.3 37.0 467 488 A A < - 0 0 1 -3,-0.9 -63,-0.9 -65,-0.4 -62,-0.6 -0.880 51.1-139.0 178.1 148.9 85.4 63.7 35.2 468 489 A D - 0 0 0 5,-1.0 5,-0.2 2,-0.8 -62,-0.0 0.004 69.9 -49.7 -96.9-151.1 87.5 63.2 32.1 469 490 A W S S+ 0 0 16 1,-0.1 2,-0.9 2,-0.1 3,-0.0 0.927 131.7 68.3 -48.9 -48.3 87.6 60.0 30.1 470 491 A N S > S- 0 0 6 1,-0.2 3,-2.3 2,-0.1 -2,-0.8 -0.652 76.5-158.0 -76.3 105.0 88.1 58.1 33.3 471 492 A D T 3 S+ 0 0 67 -2,-0.9 -1,-0.2 1,-0.3 135,-0.2 0.724 91.8 58.2 -56.5 -22.7 84.7 58.5 35.1 472 493 A C T 3 S+ 0 0 16 1,-0.1 135,-2.0 133,-0.1 2,-0.7 0.224 85.7 87.1 -94.7 15.1 86.5 57.8 38.4 473 494 A L < + 0 0 7 -3,-2.3 -5,-1.0 132,-0.2 2,-0.7 -0.881 53.9 170.0-115.6 95.3 88.9 60.7 37.9 474 495 A N + 0 0 38 -2,-0.7 -7,-0.1 130,-0.3 -8,-0.1 -0.864 13.7 150.8-113.3 97.7 87.2 63.7 39.4 475 496 A L > - 0 0 9 -2,-0.7 3,-4.0 -10,-0.4 2,-0.5 0.627 19.4-178.7 -99.6 -17.5 89.5 66.6 39.7 476 497 A G E 3 S+E 465 0K 31 -11,-2.8 -11,-2.3 1,-0.3 -1,-0.2 -0.374 88.8 13.1 54.3-105.4 86.9 69.4 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128.4 25.4 -62.6 -40.1 107.2 47.4 30.9 583 604 A H H <5S+ 0 0 85 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.642 130.6 33.0-103.1 -15.0 104.8 48.3 33.8 584 605 A L H <5S+ 0 0 1 -4,-2.1 7,-3.0 -5,-0.3 -3,-0.2 0.648 87.5 103.9-115.6 -18.6 101.4 47.9 32.3 585 606 A F E << +L 590 0P 61 -4,-1.2 5,-0.2 -5,-0.7 59,-0.0 -0.386 36.7 161.8 -71.8 142.8 101.6 44.9 29.9 586 607 A S E > -L 589 0P 9 3,-0.6 3,-1.9 -2,-0.1 61,-0.0 -0.942 56.0 -97.9-149.3 161.9 100.2 41.5 30.7 587 608 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.664 125.7 51.4 -59.5 -13.4 99.3 38.5 28.6 588 609 A Y T 3 S- 0 0 26 1,-0.4 2,-0.2 60,-0.0 -3,-0.0 0.502 124.7 -81.8-101.1 -7.6 95.7 39.7 28.9 589 610 A G E < -L 586 0P 1 -3,-1.9 -3,-0.6 36,-0.0 2,-0.5 -0.789 64.5 -38.4 133.5-176.5 96.3 43.3 27.8 590 611 A L E -L 585 0P 0 -2,-0.2 31,-0.3 -5,-0.2 -5,-0.2 -0.720 52.3-128.6 -91.0 126.5 97.5 46.6 29.2 591 612 A H - 0 0 17 -7,-3.0 29,-0.3 -2,-0.5 28,-0.1 -0.318 16.2-128.0 -66.1 153.1 96.6 47.7 32.8 592 613 A L S S- 0 0 0 27,-2.7 -36,-2.8 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