==== 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 27-MAR-99 1CG6 . COMPND 2 MOLECULE: PROTEIN (5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHOR . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.C.APPLEBY,M.D.ERION,S.E.EALICK . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.0 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 0.7 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 0 0 0 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 1 0 0 1 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 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 9 A A 0 0 147 0, 0.0 2,-0.3 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 138.9 94.9 13.4 35.8 2 10 A V - 0 0 27 245,-0.1 44,-0.6 77,-0.1 2,-0.4 -0.769 360.0-164.9-112.9 156.3 91.2 13.7 35.0 3 11 A K E -a 46 0A 56 -2,-0.3 76,-2.3 42,-0.1 77,-1.8 -0.951 16.1-146.1-141.7 118.8 88.1 13.1 37.1 4 12 A I E -ab 47 80A 0 42,-2.2 44,-2.3 -2,-0.4 2,-0.3 -0.791 4.6-157.3 -95.8 119.6 84.7 12.9 35.2 5 13 A G E -ab 48 81A 0 75,-3.4 77,-2.5 -2,-0.6 2,-0.4 -0.695 10.7-162.0 -88.3 142.9 81.5 14.1 36.9 6 14 A I E -ab 49 82A 4 42,-3.1 44,-2.6 -2,-0.3 2,-0.6 -0.977 7.1-166.5-131.1 118.1 78.4 12.5 35.4 7 15 A I E -ab 50 83A 0 75,-1.1 77,-2.0 -2,-0.4 2,-0.4 -0.925 16.3-148.9-105.8 114.9 74.9 14.1 35.9 8 16 A G E -a 51 0A 1 42,-2.5 44,-1.9 -2,-0.6 45,-0.5 -0.720 9.0-153.8 -90.3 132.1 72.1 11.7 35.0 9 17 A G > - 0 0 0 -2,-0.4 3,-2.0 3,-0.4 2,-0.3 0.091 50.1 -35.0 -83.9-163.3 68.8 12.9 33.6 10 18 A T T 3 S- 0 0 31 1,-0.3 -1,-0.2 2,-0.2 75,-0.0 -0.399 131.1 -12.7 -60.6 117.6 65.3 11.4 33.7 11 19 A G T 3 S+ 0 0 42 -2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.762 120.5 91.0 59.7 27.8 65.6 7.6 33.4 12 20 A L < + 0 0 22 -3,-2.0 -3,-0.4 72,-0.1 -2,-0.2 -0.033 56.0 95.2-139.3 29.5 69.3 8.0 32.5 13 21 A D + 0 0 41 -5,-0.2 -5,-0.1 -4,-0.2 -2,-0.1 -0.413 42.2 159.3-123.4 57.2 70.9 7.8 35.9 14 22 A D > - 0 0 74 1,-0.1 3,-1.1 -2,-0.1 4,-0.1 -0.708 25.8-161.9 -85.6 114.2 72.0 4.2 36.5 15 23 A P G > S+ 0 0 47 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.706 80.7 81.1 -66.0 -21.4 74.7 3.9 39.3 16 24 A E G 3 S+ 0 0 108 1,-0.3 -2,-0.1 5,-0.0 5,-0.0 0.438 71.0 83.8 -66.8 2.7 75.7 0.4 38.1 17 25 A I G < S+ 0 0 16 -3,-1.1 2,-0.3 2,-0.0 -1,-0.3 0.739 84.9 66.3 -77.3 -21.2 77.7 2.1 35.4 18 26 A L S < S- 0 0 1 -3,-2.0 3,-0.3 -4,-0.1 2,-0.3 -0.747 73.5-142.4-105.1 148.3 80.6 2.5 37.9 19 27 A E E S+C 41 0A 143 22,-2.8 22,-2.0 -2,-0.3 -2,-0.0 -0.766 81.7 24.7-103.8 152.1 82.7 -0.1 39.5 20 28 A G E S- 0 0 70 -2,-0.3 -1,-0.2 20,-0.2 2,-0.1 0.901 88.5-164.2 62.0 44.9 84.0 0.0 43.2 21 29 A R E + 0 0 105 -3,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.300 19.4 178.3 -69.0 144.0 81.1 2.3 44.2 22 30 A T E -C 39 0A 89 17,-1.6 17,-2.8 -2,-0.1 2,-0.2 -0.982 22.3-134.8-147.6 124.4 80.9 4.3 47.4 23 31 A E E +C 38 0A 104 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.564 25.1 178.9 -79.6 144.0 78.0 6.7 48.5 24 32 A K E -C 37 0A 83 13,-2.0 13,-2.7 -2,-0.2 2,-0.4 -0.846 16.8-154.9-155.0 111.1 78.9 10.1 49.9 25 33 A Y + 0 0 151 -2,-0.3 2,-0.3 11,-0.2 11,-0.1 -0.687 24.2 178.1 -85.3 133.8 76.6 12.9 51.0 26 34 A V - 0 0 41 -2,-0.4 2,-0.3 9,-0.2 46,-0.1 -0.845 19.7-141.5-131.5 169.9 78.1 16.4 50.9 27 35 A D - 0 0 102 -2,-0.3 5,-0.2 5,-0.1 0, 0.0 -0.911 13.1-164.7-129.7 156.4 77.1 20.0 51.6 28 36 A T B > -K 31 0B 14 3,-0.8 3,-2.1 -2,-0.3 40,-0.1 -0.914 39.3-105.2-137.4 164.2 77.9 23.3 49.8 29 37 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 39,-0.1 0.714 124.4 52.5 -61.8 -17.0 77.8 27.0 50.5 30 38 A F T 3 S- 0 0 19 1,-0.4 38,-0.3 37,-0.1 2,-0.2 0.325 122.6 -97.8-100.8 7.7 74.7 27.0 48.1 31 39 A G B < -K 28 0B 26 -3,-2.1 -3,-0.8 36,-0.1 -1,-0.4 -0.636 62.9 -24.7 109.8-169.7 72.9 24.2 50.0 32 40 A K - 0 0 144 -2,-0.2 36,-0.2 -5,-0.2 37,-0.2 -0.564 60.7-119.1 -84.6 141.8 72.6 20.4 49.5 33 41 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 -0.241 40.5 -91.9 -70.3 167.1 73.0 18.7 46.1 34 42 A S S S- 0 0 18 31,-0.2 2,-0.3 20,-0.1 21,-0.2 0.815 97.4 -31.1 -49.5 -36.8 70.1 16.7 44.5 35 43 A D S S- 0 0 30 19,-0.1 -9,-0.2 20,-0.1 -1,-0.0 -0.905 91.4 -43.7-164.3-172.2 71.3 13.5 46.2 36 44 A A - 0 0 3 -2,-0.3 15,-0.4 -11,-0.1 2,-0.3 -0.322 55.5-116.2 -68.6 148.3 74.5 11.7 47.3 37 45 A L E -C 24 0A 0 -13,-2.7 -13,-2.0 13,-0.1 2,-0.6 -0.657 23.1-144.7 -83.1 141.0 77.5 11.6 45.1 38 46 A I E -CD 23 49A 20 11,-2.2 11,-2.6 -2,-0.3 2,-0.4 -0.946 13.3-157.6-111.9 110.3 78.5 8.1 43.9 39 47 A L E +CD 22 48A 44 -17,-2.8 -17,-1.6 -2,-0.6 2,-0.3 -0.724 36.1 107.7 -89.2 134.3 82.3 7.6 43.7 40 48 A G E - D 0 47A 10 7,-2.0 7,-2.8 -2,-0.4 2,-0.3 -0.915 50.5 -93.0-172.9-161.1 83.7 4.9 41.5 41 49 A K E -CD 19 46A 94 -22,-2.0 -22,-2.8 -2,-0.3 2,-0.5 -0.956 1.3-155.2-142.4 158.5 85.5 4.0 38.2 42 50 A I E > S- D 0 45A 7 3,-1.6 3,-2.1 -2,-0.3 2,-0.3 -0.977 85.2 -43.8-130.5 107.5 85.1 3.1 34.6 43 51 A K T 3 S- 0 0 156 -2,-0.5 -24,-0.1 1,-0.3 197,-0.0 -0.483 125.7 -25.6 63.9-119.9 88.3 1.2 33.6 44 52 A N T 3 S+ 0 0 150 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.382 113.3 105.9-105.3 7.7 91.1 3.3 35.2 45 53 A V E < - D 0 42A 15 -3,-2.1 -3,-1.6 -44,-0.0 2,-0.3 -0.733 67.8-127.8 -95.8 129.9 89.3 6.6 35.3 46 54 A D E -aD 3 41A 73 -44,-0.6 -42,-2.2 -2,-0.4 2,-0.3 -0.550 34.7-178.0 -72.6 131.9 87.9 8.2 38.5 47 55 A C E -aD 4 40A 2 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.910 22.9-155.0-133.0 158.3 84.2 9.2 38.2 48 56 A V E -aD 5 39A 2 -44,-2.3 -42,-3.1 -2,-0.3 2,-0.4 -0.977 16.1-158.8-135.4 117.1 81.5 10.9 40.3 49 57 A L E +aD 6 38A 10 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.3 -0.808 11.7 177.3-102.6 140.6 77.8 10.2 39.5 50 58 A L E -a 7 0A 1 -44,-2.6 -42,-2.5 -2,-0.4 2,-0.7 -0.995 26.2-134.6-144.6 130.2 74.9 12.4 40.5 51 59 A A E > -a 8 0A 12 -15,-0.4 3,-1.4 -2,-0.3 -42,-0.1 -0.780 13.8-152.3 -86.9 113.5 71.1 12.1 39.9 52 60 A R T 3 S+ 0 0 2 -44,-1.9 13,-0.2 -2,-0.7 -1,-0.2 0.859 95.0 31.9 -52.4 -42.3 69.8 15.5 38.7 53 61 A H T 3 >S- 0 0 5 -45,-0.5 5,-1.8 1,-0.3 6,-1.1 0.276 123.0 -97.2-102.2 11.8 66.2 14.9 40.0 54 62 A G T X 5 - 0 0 3 -3,-1.4 3,-1.6 3,-0.2 -1,-0.3 0.039 44.2 -76.2 87.4 156.8 67.2 12.7 43.0 55 63 A R T 3 5S+ 0 0 125 1,-0.3 -1,-0.1 -21,-0.2 -42,-0.1 0.818 135.9 39.9 -58.3 -33.0 67.2 8.8 43.0 56 64 A Q T 3 5S- 0 0 175 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.280 112.3-118.5-100.4 11.1 63.4 8.7 43.3 57 65 A H T < 5 + 0 0 90 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.973 63.7 142.7 47.5 73.8 62.8 11.6 40.9 58 66 A T < + 0 0 110 -5,-1.8 2,-0.5 2,-0.1 -4,-0.1 0.317 41.8 86.0-120.5 2.3 61.1 14.0 43.3 59 67 A I - 0 0 40 -6,-1.1 5,-0.1 -5,-0.1 -1,-0.0 -0.935 66.9-141.0-115.6 121.8 62.5 17.4 42.1 60 68 A M >> - 0 0 79 -2,-0.5 3,-1.9 1,-0.1 4,-0.6 -0.432 31.7-105.7 -75.0 152.1 61.0 19.4 39.3 61 69 A P G >4 S+ 0 0 16 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.804 119.4 54.8 -44.5 -42.2 63.4 21.2 36.8 62 70 A S G 34 S+ 0 0 22 1,-0.2 104,-0.1 103,-0.2 103,-0.0 0.731 110.4 47.1 -66.0 -27.2 62.6 24.7 38.3 63 71 A K G <4 S+ 0 0 151 -3,-1.9 -1,-0.2 2,-0.1 2,-0.1 0.404 78.5 120.4 -97.6 -2.9 63.6 23.4 41.8 64 72 A V << - 0 0 9 -3,-0.9 2,-1.6 -4,-0.6 3,-0.2 -0.441 66.4-129.7 -64.8 133.4 66.9 21.6 41.0 65 73 A N > + 0 0 48 -13,-0.2 4,-2.3 1,-0.2 -31,-0.2 -0.620 36.8 169.6 -86.1 77.0 69.8 23.2 42.9 66 74 A Y H > S+ 0 0 7 -2,-1.6 4,-2.3 1,-0.2 5,-0.3 0.845 74.0 55.7 -57.0 -38.0 72.1 23.6 39.9 67 75 A Q H > S+ 0 0 23 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 110.2 43.7 -61.6 -49.9 74.5 25.7 42.0 68 76 A A H > S+ 0 0 0 -38,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.888 112.9 53.2 -63.4 -41.7 75.0 23.0 44.7 69 77 A N H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.942 114.2 39.7 -60.9 -50.1 75.3 20.2 42.1 70 78 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 115.8 52.1 -67.7 -40.8 78.1 22.0 40.1 71 79 A W H X S+ 0 0 48 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.904 108.3 51.1 -61.5 -43.9 79.9 23.2 43.2 72 80 A A H X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.884 111.4 47.2 -61.5 -41.3 79.9 19.7 44.8 73 81 A L H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-0.4 0.901 112.7 48.9 -67.9 -41.2 81.4 18.1 41.6 74 82 A K H ><5S+ 0 0 98 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.916 110.7 51.6 -63.1 -42.6 84.1 20.9 41.4 75 83 A E H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.763 103.9 57.5 -66.0 -29.0 84.9 20.4 45.1 76 84 A E T 3<5S- 0 0 34 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.564 126.4 -99.4 -79.9 -8.6 85.3 16.7 44.6 77 85 A G T < 5 + 0 0 39 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.546 61.2 166.8 103.3 10.9 88.0 17.4 42.0 78 86 A C < + 0 0 4 -5,-2.3 -1,-0.2 1,-0.2 -74,-0.2 -0.360 17.5 177.6 -65.2 130.7 86.1 17.0 38.7 79 87 A T S S+ 0 0 28 -76,-2.3 124,-2.1 1,-0.2 2,-0.3 0.684 73.3 32.6 -99.0 -30.3 87.8 18.3 35.6 80 88 A H E -be 4 203A 0 -77,-1.8 -75,-3.4 122,-0.2 2,-0.4 -0.911 61.5-163.8-127.5 154.3 85.1 17.2 33.2 81 89 A V E -be 5 204A 0 122,-2.7 124,-2.0 -2,-0.3 2,-0.5 -0.966 8.0-178.3-141.4 115.5 81.3 16.9 33.5 82 90 A I E -be 6 205A 0 -77,-2.5 -75,-1.1 -2,-0.4 2,-0.2 -0.986 13.7-171.8-115.6 128.2 79.3 14.9 31.0 83 91 A V E -be 7 206A 1 122,-2.1 124,-2.9 -2,-0.5 2,-0.4 -0.741 18.0-139.7-120.5 166.4 75.5 14.8 31.4 84 92 A T E + e 0 207A 2 -77,-2.0 2,-0.3 -2,-0.2 124,-0.2 -0.941 22.6 177.1-122.0 145.9 72.5 13.0 30.0 85 93 A T E - e 0 208A 4 122,-1.9 124,-2.9 -2,-0.4 2,-0.3 -0.986 26.8-132.3-153.1 138.3 69.1 14.7 29.2 86 94 A A E + e 0 209A 19 -2,-0.3 102,-0.3 122,-0.2 2,-0.3 -0.671 39.1 169.6 -83.3 145.9 65.7 13.7 27.8 87 95 A C E - e 0 210A 5 122,-1.9 124,-2.7 -2,-0.3 125,-0.6 -0.973 33.4-112.2-153.9 165.1 64.4 16.2 25.2 88 96 A G E -Fe 186 212A 5 98,-2.8 98,-2.3 -2,-0.3 2,-0.4 -0.745 32.9-121.6-100.2 150.1 61.8 16.8 22.5 89 97 A S E +F 185 0A 0 123,-3.0 96,-0.2 -2,-0.3 95,-0.0 -0.811 24.1 180.0 -95.2 134.1 62.7 17.0 18.8 90 98 A L + 0 0 0 94,-2.7 2,-0.4 -2,-0.4 95,-0.2 0.131 67.4 70.2-112.0 13.9 61.9 20.1 16.8 91 99 A R S > S- 0 0 49 93,-0.4 3,-1.4 3,-0.3 93,-0.0 -0.999 75.5-135.4-137.4 134.2 63.3 18.7 13.5 92 100 A E T 3 S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.885 106.1 54.6 -51.6 -45.3 62.0 15.9 11.2 93 101 A E T 3 S+ 0 0 117 1,-0.1 2,-1.1 2,-0.1 -1,-0.3 0.659 90.8 80.3 -67.4 -17.6 65.5 14.4 10.8 94 102 A I S < S- 0 0 6 -3,-1.4 -3,-0.3 90,-0.1 -1,-0.1 -0.791 73.8-169.2 -92.6 96.8 65.9 14.1 14.6 95 103 A Q > - 0 0 89 -2,-1.1 3,-2.5 1,-0.1 115,-0.2 -0.559 32.9 -88.7 -88.9 150.0 63.9 10.9 15.3 96 104 A P T 3 S+ 0 0 55 0, 0.0 115,-0.2 0, 0.0 -1,-0.1 -0.354 119.1 34.2 -56.1 132.8 62.9 9.7 18.8 97 105 A G T 3 S+ 0 0 3 113,-3.3 57,-0.1 1,-0.4 114,-0.1 0.115 92.6 122.5 105.2 -21.1 65.7 7.4 20.0 98 106 A D < - 0 0 3 -3,-2.5 112,-2.2 112,-0.1 -1,-0.4 -0.373 57.7-132.1 -72.3 153.1 68.4 9.6 18.3 99 107 A I E -gH 155 209A 0 55,-1.7 57,-2.5 110,-0.2 2,-0.4 -0.827 16.4-162.7-105.6 144.4 71.3 11.1 20.2 100 108 A V E -gH 156 208A 0 108,-2.6 108,-2.1 -2,-0.3 2,-1.4 -0.987 12.8-153.4-130.8 119.7 72.2 14.8 19.7 101 109 A I E - H 0 207A 0 55,-2.5 58,-0.2 -2,-0.4 106,-0.1 -0.715 32.2-147.4 -92.1 84.1 75.6 16.2 20.9 102 110 A I + 0 0 0 -2,-1.4 104,-0.4 104,-0.5 58,-0.2 -0.118 28.0 178.5 -56.2 146.3 74.3 19.8 21.4 103 111 A D + 0 0 32 56,-2.1 33,-0.5 1,-0.2 2,-0.3 0.451 63.8 30.8-127.0 -7.7 76.6 22.8 20.7 104 112 A Q E -i 160 0A 62 55,-1.6 57,-2.4 31,-0.1 2,-0.3 -0.938 59.7-157.6-146.5 165.8 74.3 25.8 21.4 105 113 A F E -i 161 0A 37 -2,-0.3 2,-0.4 55,-0.2 57,-0.2 -0.972 11.4-150.0-145.6 159.0 71.4 26.9 23.6 106 114 A I E -i 162 0A 43 55,-2.3 57,-2.2 -2,-0.3 2,-0.4 -0.992 26.7-133.8-130.1 120.6 68.5 29.4 23.8 107 115 A D E +i 163 0A 63 -2,-0.4 57,-0.1 55,-0.2 55,-0.1 -0.639 38.8 154.9 -82.3 124.9 67.3 30.4 27.3 108 116 A R E +i 164 0A 94 55,-2.0 57,-0.8 -2,-0.4 2,-0.1 0.094 41.6 115.7-128.9 14.7 63.6 30.5 28.0 109 117 A T + 0 0 16 55,-0.2 55,-0.1 54,-0.1 54,-0.0 -0.470 36.9 179.2 -83.3 160.4 63.9 30.0 31.8 110 118 A T + 0 0 114 -2,-0.1 -1,-0.1 54,-0.0 54,-0.0 0.647 66.7 47.7-132.3 -36.2 62.8 32.7 34.3 111 119 A M S S+ 0 0 135 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.049 83.1 110.7-107.0 39.5 63.2 31.8 38.0 112 120 A R - 0 0 19 -46,-0.0 2,-0.2 2,-0.0 -49,-0.1 -0.925 63.8-129.1-125.4 129.4 66.7 30.4 38.1 113 121 A P - 0 0 81 0, 0.0 -46,-0.1 0, 0.0 -47,-0.1 -0.512 24.6-175.9 -65.6 126.7 70.0 31.7 39.6 114 122 A Q + 0 0 64 -2,-0.2 2,-0.3 81,-0.1 3,-0.1 0.312 56.0 53.9-111.7 10.1 72.6 31.5 36.9 115 123 A S - 0 0 29 1,-0.1 3,-0.1 14,-0.0 81,-0.1 -0.985 59.3-146.4-145.4 150.4 75.8 32.6 38.7 116 124 A F S S+ 0 0 7 -2,-0.3 2,-1.6 1,-0.2 8,-0.2 0.716 92.6 79.0 -81.3 -25.5 77.8 31.6 41.8 117 125 A Y + 0 0 61 1,-0.2 11,-0.4 2,-0.1 -1,-0.2 -0.514 47.8 138.3 -85.6 69.3 78.7 35.3 42.2 118 126 A D S S- 0 0 79 -2,-1.6 -1,-0.2 6,-0.1 7,-0.1 0.219 72.2-112.6 -96.9 12.9 75.4 36.6 43.8 119 127 A G S S+ 0 0 68 5,-0.5 -2,-0.1 7,-0.4 6,-0.1 0.756 100.1 85.6 63.2 28.4 77.3 38.8 46.2 120 128 A S S S+ 0 0 82 4,-0.2 2,-0.4 1,-0.1 5,-0.1 0.194 71.5 73.0-142.1 16.1 76.2 36.8 49.2 121 129 A H > - 0 0 48 3,-0.4 3,-1.2 1,-0.1 -2,-0.2 -0.991 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>X S+ 0 0 22 -4,-1.4 3,-1.9 -3,-0.2 4,-0.7 0.447 82.9 102.1-115.5 -0.7 66.9 3.6 24.5 232 244 A A H 3X S+ 0 0 30 -4,-2.1 4,-1.8 1,-0.3 3,-0.3 0.774 74.4 68.5 -55.9 -29.2 68.7 4.1 27.8 233 245 A N H 3> S+ 0 0 97 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.779 92.8 60.9 -61.3 -27.3 71.3 1.4 27.0 234 246 A K H <> S+ 0 0 45 -3,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.925 105.0 44.3 -66.3 -48.1 72.6 3.7 24.2 235 247 A A H X S+ 0 0 4 -4,-0.7 4,-2.3 -3,-0.3 -2,-0.2 0.879 113.8 52.0 -64.4 -38.6 73.6 6.5 26.6 236 248 A K H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.947 111.7 45.3 -63.5 -48.2 75.1 4.0 29.0 237 249 A S H X S+ 0 0 52 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.885 111.9 52.9 -62.6 -40.1 77.2 2.3 26.2 238 250 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 111.7 44.9 -62.6 -44.3 78.3 5.8 24.9 239 251 A L H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 112.1 51.3 -66.5 -44.6 79.5 6.9 28.4 240 252 A L H < S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.6 39.2 -61.4 -34.8 81.3 3.6 29.1 241 253 A T H X S+ 0 0 61 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.777 117.0 49.1 -86.7 -30.4 83.2 3.7 25.8 242 254 A T H >X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 3,-0.6 0.917 100.2 63.1 -76.0 -46.0 83.9 7.5 25.8 243 255 A I H 3X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.1 0.848 100.5 48.8 -50.6 -47.9 85.3 7.9 29.3 244 256 A P H 34 S+ 0 0 32 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.838 110.2 55.4 -64.6 -29.4 88.5 5.7 29.0 245 257 A Q H X< S+ 0 0 98 -3,-0.6 3,-1.0 -4,-0.5 4,-0.3 0.894 106.9 48.5 -67.5 -41.9 89.2 7.6 25.7 246 258 A I H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.880 107.9 55.9 -65.5 -38.3 89.1 11.0 27.5 247 259 A G T 3< S+ 0 0 37 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.516 102.8 56.7 -73.5 -5.1 91.4 9.6 30.2 248 260 A S T < S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.3 2,-0.2 0.446 98.2 71.1-104.7 -3.0 94.0 8.7 27.6 249 261 A T S < S- 0 0 70 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.0 -0.675 86.9 -94.7-111.9 167.5 94.5 12.1 26.1 250 262 A E + 0 0 147 -2,-0.2 4,-0.1 1,-0.1 -2,-0.1 -0.653 38.3 163.5 -85.7 134.8 96.1 15.4 27.2 251 263 A W > + 0 0 11 -2,-0.3 4,-2.8 2,-0.1 5,-0.3 0.337 44.2 105.1-129.4 2.4 93.9 18.1 28.8 252 264 A S H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 86.7 41.5 -52.8 -52.0 96.4 20.4 30.5 253 265 A E H > S+ 0 0 148 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.887 115.6 50.6 -65.6 -40.5 96.2 23.3 27.9 254 266 A T H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.924 112.3 46.1 -63.9 -45.9 92.4 23.0 27.6 255 267 A L H X S+ 0 0 42 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.818 110.1 55.2 -68.0 -31.6 91.9 23.2 31.4 256 268 A H H X S+ 0 0 101 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.921 107.8 48.2 -66.5 -46.1 94.3 26.1 31.7 257 269 A N H X S+ 0 0 94 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.862 111.3 50.5 -62.9 -38.0 92.4 28.2 29.1 258 270 A L H X S+ 0 0 24 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.870 109.7 51.1 -67.4 -38.0 89.1 27.4 30.8 259 271 A K H X S+ 0 0 132 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.905 111.0 48.5 -65.6 -41.7 90.6 28.5 34.2 260 272 A N H X S+ 0 0 44 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 110.1 50.5 -64.2 -47.1 91.8 31.8 32.6 261 273 A M H < S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.3 46.6 -58.9 -40.7 88.5 32.6 31.0 262 274 A A H >< S+ 0 0 11 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.888 114.6 46.0 -69.4 -41.4 86.7 32.0 34.3 263 275 A Q H >< S+ 0 0 109 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.885 111.4 50.5 -70.3 -41.2 89.2 34.0 36.4 264 276 A F T 3< S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.349 98.2 68.9 -81.8 6.6 89.3 37.0 34.0 265 277 A S T < S+ 0 0 16 -3,-0.7 -136,-2.3 -4,-0.2 2,-0.4 0.452 81.6 94.3 -99.1 -6.5 85.5 37.3 33.9 266 278 A V E < -L 128 0C 29 -3,-1.1 2,-0.6 -138,-0.2 -138,-0.2 -0.771 62.6-152.7 -95.1 130.6 85.3 38.4 37.5 267 279 A L E -L 127 0C 110 -140,-2.7 -140,-1.8 -2,-0.4 -3,-0.0 -0.908 14.9-158.7-102.1 116.6 85.2 42.1 38.4 268 280 A L 0 0 124 -2,-0.6 -142,-0.1 -142,-0.2 0, 0.0 -0.638 360.0 360.0 -95.5 153.4 86.6 42.9 41.9 269 281 A P 0 0 165 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.101 360.0 360.0 -52.9 360.0 85.9 46.0 44.0