==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-11 3S7F . COMPND 2 MOLECULE: N-LYSINE METHYLTRANSFERASE SMYD2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.D.FERGUSON . 436 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 1 0 0 0 1 2 0 1 2 2 0 2 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 4 1 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 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 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 5 A G 0 0 79 0, 0.0 2,-0.4 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0-151.0 8.2 47.3 22.9 2 6 A L > - 0 0 29 3,-0.3 3,-1.8 121,-0.1 28,-0.0 -0.990 360.0-108.0-121.8 124.0 11.1 44.9 21.7 3 7 A G T 3 S+ 0 0 72 -2,-0.4 3,-0.1 1,-0.2 18,-0.1 -0.153 100.7 12.2 -52.7 136.4 12.6 42.4 24.1 4 8 A G T 3 S+ 0 0 19 1,-0.2 16,-2.8 16,-0.1 17,-0.8 0.489 120.3 75.7 73.4 5.9 16.2 43.2 25.3 5 9 A L E < -A 19 0A 9 -3,-1.8 -3,-0.3 14,-0.3 2,-0.3 -0.911 55.5-170.5-139.2 165.3 15.9 46.7 23.9 6 10 A E E -A 18 0A 65 12,-2.0 12,-3.0 -2,-0.3 2,-0.2 -0.986 27.8-112.6-156.9 153.5 14.3 50.1 24.7 7 11 A R E +A 17 0A 79 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.608 46.9 164.2 -79.2 143.5 13.7 53.6 23.3 8 12 A F E -A 16 0A 30 8,-2.0 8,-2.9 -2,-0.2 2,-0.7 -0.944 44.8 -92.5-153.0 169.9 15.6 56.3 25.1 9 13 A C E -A 15 0A 103 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.853 35.6-156.5 -92.7 109.9 16.7 60.0 24.8 10 14 A S > - 0 0 5 4,-2.8 3,-2.8 -2,-0.7 4,-0.4 -0.852 29.0-112.7 -88.5 111.8 20.2 60.0 23.3 11 15 A P T 3 S- 0 0 114 0, 0.0 4,-0.0 0, 0.0 -1,-0.0 -0.314 98.2 -1.7 -54.6 119.4 21.9 63.3 24.4 12 16 A G T 3 S+ 0 0 85 -2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.540 126.8 73.7 76.9 11.1 22.3 65.4 21.3 13 17 A K S < S- 0 0 63 -3,-2.8 -3,-0.1 1,-0.3 2,-0.1 0.044 90.5-136.0-136.9 21.1 20.8 62.7 19.0 14 18 A G - 0 0 43 -4,-0.4 -4,-2.8 424,-0.2 -1,-0.3 -0.340 68.1 -0.6 60.4-129.6 17.1 62.9 19.9 15 19 A R E S+A 9 0A 52 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.661 76.8 166.2 -92.0 147.6 15.4 59.5 20.5 16 20 A G E -A 8 0A 0 -8,-2.9 -8,-2.0 -2,-0.3 2,-0.4 -0.870 36.5 -96.6-147.7-178.1 17.4 56.3 20.0 17 21 A L E -A 7 0A 2 215,-0.5 215,-2.9 -2,-0.3 2,-0.4 -0.934 34.9-168.9-111.7 131.1 17.6 52.6 20.6 18 22 A R E -AB 6 231A 83 -12,-3.0 -12,-2.0 -2,-0.4 213,-0.2 -0.944 19.5-122.3-124.0 141.2 19.4 51.2 23.7 19 23 A A E -A 5 0A 0 211,-2.6 210,-3.3 -2,-0.4 -14,-0.3 -0.549 20.3-179.4 -80.3 140.6 20.4 47.6 24.6 20 24 A L S S+ 0 0 89 -16,-2.8 -15,-0.2 208,-0.2 -1,-0.1 0.315 75.1 32.4-117.7 -1.4 19.2 46.0 27.9 21 25 A Q S S- 0 0 87 -17,-0.8 -1,-0.1 206,-0.1 2,-0.1 -0.958 97.1 -85.6-146.9 161.0 21.0 42.7 27.3 22 26 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.438 35.1-162.5 -72.7 148.5 24.3 41.6 25.6 23 27 A F B -C 226 0B 8 203,-2.5 203,-2.6 -2,-0.1 2,-0.2 -0.997 7.8-149.6-126.9 130.2 24.3 41.0 21.8 24 28 A Q > - 0 0 84 -2,-0.4 3,-2.5 201,-0.2 198,-0.4 -0.633 41.7 -73.8 -95.3 160.7 27.2 39.0 20.2 25 29 A V T 3 S+ 0 0 59 1,-0.3 198,-0.2 -2,-0.2 -1,-0.1 -0.287 123.7 19.0 -52.2 128.6 28.5 39.5 16.6 26 30 A G T 3 S+ 0 0 22 196,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.300 89.9 136.3 90.8 -9.3 25.9 38.0 14.3 27 31 A D < - 0 0 69 -3,-2.5 195,-2.2 1,-0.1 2,-0.6 -0.523 58.8-121.4 -72.4 140.5 23.0 38.0 16.8 28 32 A L E -D 221 0C 76 193,-0.2 193,-0.3 -2,-0.2 3,-0.1 -0.721 25.6-174.1 -79.3 115.4 19.5 39.1 15.5 29 33 A L E - 0 0 13 191,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.929 63.7 -36.9 -75.5 -48.3 18.5 42.1 17.7 30 34 A F E -D 220 0C 13 190,-0.9 190,-2.5 -28,-0.0 -1,-0.4 -0.959 49.2-127.0-169.0 166.7 15.0 42.3 16.1 31 35 A S E -D 219 0C 43 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.876 17.7-161.9-118.9 150.4 13.0 42.1 12.9 32 36 A C E -D 218 0C 1 186,-2.8 186,-2.4 -2,-0.3 89,-0.1 -0.938 13.6-139.2-140.5 114.0 10.6 44.7 11.5 33 37 A P E -D 217 0C 57 0, 0.0 184,-0.2 0, 0.0 3,-0.0 -0.481 41.9 -95.8 -67.8 142.3 7.9 44.1 8.9 34 38 A A - 0 0 13 182,-0.8 161,-0.2 1,-0.2 3,-0.2 -0.367 26.7-157.6 -58.1 131.8 7.7 46.9 6.3 35 39 A Y S S- 0 0 10 159,-3.3 2,-0.3 1,-0.4 -1,-0.2 0.910 82.8 -6.2 -73.8 -46.8 5.0 49.4 7.3 36 40 A A E S+F 194 0D 1 158,-0.7 158,-2.9 -3,-0.0 -1,-0.4 -0.949 78.1 170.2-145.5 148.6 4.8 50.6 3.6 37 41 A Y E -F 193 0D 32 -2,-0.3 2,-0.3 156,-0.3 156,-0.2 -0.979 16.7-158.1-160.3 158.0 7.0 49.5 0.7 38 42 A V E -F 192 0D 0 154,-2.4 154,-1.5 -2,-0.3 2,-0.4 -0.987 20.8-127.9-147.7 130.5 7.2 49.7 -3.0 39 43 A L E -F 191 0D 1 -2,-0.3 152,-0.3 152,-0.2 5,-0.1 -0.693 40.7-109.9 -77.5 131.3 9.1 47.5 -5.6 40 44 A T > - 0 0 18 150,-2.8 3,-1.6 -2,-0.4 4,-0.3 -0.299 23.4-117.9 -58.8 142.8 11.2 49.8 -7.9 41 45 A V G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.898 112.2 56.4 -48.8 -49.8 10.0 50.1 -11.6 42 46 A N G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.608 103.6 54.9 -62.7 -12.9 13.2 48.5 -13.1 43 47 A E G X> S+ 0 0 33 -3,-1.6 3,-2.0 147,-0.2 4,-1.4 0.437 76.1 122.8-101.3 -0.5 12.7 45.3 -10.9 44 48 A R B <4 S+i 47 0E 35 -3,-1.8 4,-0.1 -4,-0.3 23,-0.1 -0.376 78.2 24.1 -63.6 129.6 9.1 44.6 -12.2 45 49 A G T 34 S+ 0 0 29 2,-0.6 13,-0.4 23,-0.1 -1,-0.3 0.095 117.6 66.2 98.3 -20.6 9.0 41.1 -13.7 46 50 A N T <4 S+ 0 0 79 -3,-2.0 9,-1.2 1,-0.2 2,-0.3 0.741 105.9 30.9 -98.3 -35.4 12.1 40.0 -11.6 47 51 A H B < S-iJ 44 54E 3 -4,-1.4 -2,-0.6 7,-0.2 21,-0.3 -0.951 88.8-101.7-127.8 148.3 10.6 40.2 -8.1 48 52 A C > - 0 0 0 5,-2.2 4,-2.1 -2,-0.3 21,-0.2 -0.520 25.1-139.1 -70.4 129.1 7.1 39.7 -6.7 49 53 A E T 4 S+ 0 0 1 19,-2.5 -10,-0.1 -2,-0.3 -1,-0.1 0.851 99.1 42.0 -55.2 -41.0 5.4 43.0 -6.0 50 54 A Y T 4 S+ 0 0 79 18,-0.2 -1,-0.2 1,-0.1 19,-0.1 0.939 132.9 12.3 -77.9 -53.7 3.9 41.6 -2.7 51 55 A C T 4 S- 0 0 33 2,-0.1 165,-0.3 164,-0.1 -2,-0.2 0.444 90.3-125.4-109.1 -4.4 6.7 39.6 -1.0 52 56 A F < + 0 0 7 -4,-2.1 163,-0.2 1,-0.2 2,-0.1 0.537 49.3 163.4 68.2 12.5 9.8 40.7 -3.1 53 57 A T - 0 0 64 -6,-0.1 -5,-2.2 161,-0.1 2,-0.6 -0.424 36.9-135.1 -62.2 127.5 10.6 37.0 -3.9 54 58 A R B +J 47 0E 89 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.831 46.8 145.6 -89.4 117.8 13.0 36.8 -6.9 55 59 A K - 0 0 91 -9,-1.2 3,-0.4 -2,-0.6 2,-0.2 -0.984 49.0-116.6-153.1 155.2 11.7 34.0 -9.2 56 60 A E S S+ 0 0 172 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.0 -0.626 96.0 31.1 -88.6 151.9 11.3 33.0 -12.8 57 61 A G S S+ 0 0 70 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.863 74.9 175.8 65.1 43.1 7.7 32.7 -14.2 58 62 A L - 0 0 21 -3,-0.4 2,-0.4 -13,-0.4 12,-0.2 -0.546 35.5-110.0 -74.9 141.7 6.0 35.4 -12.0 59 63 A S E -K 69 0F 58 10,-3.3 10,-2.7 -2,-0.2 2,-0.2 -0.666 29.2-133.3 -78.9 128.0 2.3 35.9 -12.9 60 64 A K E -K 68 0F 122 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.579 24.0-106.8 -81.1 139.2 1.5 39.3 -14.6 61 65 A C > - 0 0 4 6,-3.1 4,-1.7 -2,-0.2 6,-0.2 -0.548 27.6-140.7 -66.9 125.0 -1.5 41.5 -13.4 62 66 A G T 4 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.723 91.4 46.5 -60.7 -29.3 -4.1 41.1 -16.2 63 67 A R T 4 S+ 0 0 141 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.955 128.0 16.2 -81.9 -59.2 -5.2 44.7 -16.1 64 68 A C T 4 S- 0 0 8 3,-0.1 -2,-0.2 26,-0.0 -1,-0.1 0.722 80.5-149.3 -86.9 -27.6 -2.1 46.9 -16.1 65 69 A K S < S+ 0 0 116 -4,-1.7 -3,-0.1 2,-0.1 -5,-0.0 0.639 77.5 95.4 62.2 17.8 0.4 44.1 -17.2 66 70 A Q + 0 0 78 -5,-0.1 2,-0.3 20,-0.1 -1,-0.1 -0.005 66.7 69.4-128.5 26.3 3.0 46.1 -15.1 67 71 A A - 0 0 0 -6,-0.2 -6,-3.1 -23,-0.1 2,-0.4 -0.979 62.9-162.0-143.2 135.1 2.8 44.1 -11.8 68 72 A F E -K 60 0F 42 -2,-0.3 -19,-2.5 -21,-0.3 2,-0.3 -0.972 8.2-174.8-126.7 140.5 4.1 40.6 -11.3 69 73 A Y E -K 59 0F 0 -10,-2.7 -10,-3.3 -2,-0.4 3,-0.1 -0.904 37.3-123.2-133.8 159.8 3.3 38.1 -8.5 70 74 A C S S- 0 0 19 -2,-0.3 2,-0.2 -12,-0.2 -1,-0.1 0.894 91.4 -36.8 -61.4 -45.8 4.3 34.6 -7.2 71 75 A N S > S- 0 0 73 -12,-0.1 4,-2.1 -13,-0.1 -1,-0.2 -0.888 78.4 -67.0-163.3-175.7 0.6 33.5 -7.5 72 76 A V H > S+ 0 0 83 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.740 125.8 57.6 -63.0 -28.2 -3.0 34.7 -7.1 73 77 A E H > S+ 0 0 95 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.952 107.6 44.7 -71.2 -47.9 -2.5 35.0 -3.2 74 78 A C H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.934 115.5 51.1 -58.4 -43.4 0.4 37.5 -3.5 75 79 A Q H X S+ 0 0 59 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.928 113.2 43.8 -55.5 -52.4 -1.7 39.3 -6.2 76 80 A K H < S+ 0 0 121 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.876 113.4 50.4 -61.4 -45.7 -4.8 39.5 -3.9 77 81 A E H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 112.2 48.1 -66.9 -29.8 -2.8 40.5 -0.8 78 82 A D H >X S+ 0 0 1 -4,-1.9 4,-3.5 -5,-0.2 3,-1.5 0.638 87.0 90.6 -83.8 -19.6 -1.1 43.3 -2.8 79 83 A W H 3X S+ 0 0 104 -4,-1.0 4,-3.1 -3,-0.5 5,-0.2 0.851 77.2 60.1 -48.5 -46.5 -4.4 44.7 -4.3 80 84 A P H 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.819 121.6 28.7 -52.3 -31.0 -5.1 47.2 -1.5 81 85 A M H X4 S+ 0 0 28 -3,-1.5 3,-1.4 -4,-0.2 4,-0.3 0.835 119.2 54.7 -93.1 -46.3 -1.7 48.9 -2.4 82 86 A H H >X S+ 0 0 2 -4,-3.5 4,-2.4 1,-0.2 3,-2.0 0.805 94.5 69.8 -60.0 -30.4 -1.6 47.9 -6.1 83 87 A K T 3< S+ 0 0 78 -4,-3.1 4,-0.5 1,-0.3 -1,-0.2 0.758 87.2 67.0 -60.9 -24.9 -5.1 49.5 -6.8 84 88 A L T <4 S+ 0 0 8 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.696 119.6 19.8 -63.5 -23.5 -3.5 53.0 -6.2 85 89 A E T <> S+ 0 0 0 -3,-2.0 4,-2.6 -4,-0.3 -2,-0.2 0.613 102.4 86.4-121.6 -24.2 -1.5 52.4 -9.5 86 90 A C H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 3,-0.2 0.947 102.7 25.3 -50.0 -71.9 -3.3 49.6 -11.5 87 91 A S H >> S+ 0 0 64 -4,-0.5 4,-2.6 1,-0.2 3,-0.7 0.925 119.3 60.5 -65.0 -41.8 -5.9 51.6 -13.5 88 92 A P H 3> S+ 0 0 19 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.884 101.8 54.3 -51.1 -42.3 -3.8 54.9 -13.4 89 93 A M H 3X S+ 0 0 2 -4,-2.6 4,-0.9 1,-0.2 7,-0.2 0.861 113.2 41.3 -59.1 -39.5 -0.9 53.1 -15.2 90 94 A V H << S+ 0 0 81 -4,-1.1 -1,-0.2 -3,-0.7 -3,-0.1 0.889 118.8 45.7 -76.7 -35.9 -3.2 52.1 -18.1 91 95 A V H < S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.1 0.952 122.2 34.8 -69.4 -53.7 -5.0 55.5 -18.2 92 96 A F H >< S+ 0 0 57 -4,-3.2 3,-2.5 1,-0.2 -1,-0.2 0.698 88.1 171.4 -74.7 -20.7 -1.8 57.8 -18.0 93 97 A G G >< S+ 0 0 40 -4,-0.9 3,-1.4 -5,-0.4 -1,-0.2 -0.250 72.1 4.6 52.2-118.7 0.1 55.2 -20.1 94 98 A E G 3 S+ 0 0 203 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.722 129.5 65.0 -65.4 -26.7 3.5 56.7 -21.0 95 99 A N G < S+ 0 0 122 -3,-2.5 2,-1.0 -4,-0.1 -1,-0.3 0.458 73.6 104.8 -76.9 -6.8 2.7 59.8 -18.9 96 100 A W < + 0 0 25 -3,-1.4 -7,-0.0 -7,-0.2 59,-0.0 -0.701 36.6 134.3 -80.0 103.9 2.7 57.7 -15.7 97 101 A N + 0 0 122 -2,-1.0 -1,-0.1 54,-0.1 54,-0.0 -0.097 17.8 162.5-144.8 45.0 5.9 58.7 -14.0 98 102 A P - 0 0 12 0, 0.0 50,-0.1 0, 0.0 -2,-0.0 -0.408 45.5-108.1 -66.2 146.2 5.6 59.4 -10.2 99 103 A S > - 0 0 49 1,-0.1 4,-2.3 49,-0.1 3,-0.3 -0.332 28.3-108.1 -67.2 158.2 8.9 59.4 -8.3 100 104 A E H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.858 121.6 55.7 -55.6 -36.7 9.6 56.4 -5.9 101 105 A T H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 108.9 46.2 -60.9 -45.8 9.1 58.8 -3.0 102 106 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.923 112.8 50.9 -61.9 -46.8 5.6 59.8 -4.2 103 107 A R H X S+ 0 0 3 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.922 114.7 43.1 -57.6 -48.3 4.8 56.0 -4.9 104 108 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.908 112.8 52.3 -64.4 -44.8 5.9 55.1 -1.3 105 109 A T H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.860 104.4 56.1 -61.9 -36.2 4.1 58.2 0.2 106 110 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 108.6 49.4 -59.0 -40.6 0.8 57.2 -1.5 107 111 A R H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.827 107.5 53.0 -70.5 -32.9 1.1 53.8 0.2 108 112 A I H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.961 111.2 46.4 -65.9 -49.9 1.7 55.5 3.6 109 113 A L H X S+ 0 0 15 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.891 113.2 49.8 -58.1 -40.7 -1.4 57.5 3.2 110 114 A A H X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.905 111.6 48.1 -64.5 -44.4 -3.4 54.4 2.1 111 115 A K H X S+ 0 0 44 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.868 106.8 56.8 -63.9 -41.2 -2.1 52.4 5.1 112 116 A Q H < S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.812 109.8 46.7 -60.3 -31.1 -3.1 55.3 7.5 113 117 A K H < S+ 0 0 145 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.905 119.7 37.2 -76.8 -44.2 -6.7 55.1 6.2 114 118 A I H < S+ 0 0 115 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.897 133.6 23.5 -72.7 -45.3 -7.0 51.3 6.4 115 119 A H < + 0 0 61 -4,-3.5 -1,-0.2 -5,-0.1 -2,-0.1 -0.678 63.7 161.7-126.7 74.1 -5.0 50.9 9.7 116 120 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.793 57.1 84.7 -66.4 -25.5 -5.0 54.2 11.7 117 121 A E S S- 0 0 125 1,-0.1 2,-0.0 -5,-0.0 -2,-0.0 -0.253 100.8 -74.7 -71.7 163.6 -3.9 52.3 14.9 118 122 A R - 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