==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-FEB-11 3QWW . COMPND 2 MOLECULE: SET AND MYND DOMAIN-CONTAINING PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.JIANG,N.SIRINUPONG,J.BRUNZELLE,Z.YANG . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 10.0 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 . 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 . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 40.8 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 1 1 1 0 0 0 0 2 1 0 1 2 2 0 3 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 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 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 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 3 A A 0 0 158 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.7 -17.7 36.7 73.1 2 4 A E - 0 0 117 1,-0.2 3,-0.3 6,-0.0 6,-0.1 -0.752 360.0-147.7 -87.3 132.9 -14.8 37.2 70.6 3 5 A A S S+ 0 0 62 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.969 97.9 14.3 -62.9 -49.1 -11.6 35.1 71.2 4 6 A R S > S- 0 0 19 3,-0.5 3,-1.8 121,-0.1 -1,-0.3 -0.988 100.1-115.0-128.0 114.4 -9.5 38.0 69.9 5 7 A G T 3 S+ 0 0 34 -2,-0.4 3,-0.1 -3,-0.3 17,-0.0 -0.216 94.2 6.5 -54.0 131.5 -11.4 41.3 69.6 6 8 A G T 3 S+ 0 0 1 1,-0.2 16,-3.0 15,-0.1 17,-0.9 0.494 118.4 82.1 74.0 9.8 -11.9 42.7 66.1 7 9 A L E < -A 21 0A 5 -3,-1.8 -3,-0.5 14,-0.3 2,-0.3 -0.967 49.5-177.8-140.0 159.3 -10.5 39.5 64.4 8 10 A E E -A 20 0A 77 12,-2.0 12,-2.6 -2,-0.3 2,-0.2 -0.991 31.0-112.3-151.7 155.3 -11.4 36.0 63.4 9 11 A R E +A 19 0A 86 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.599 47.6 166.7 -79.7 143.5 -9.9 32.9 61.9 10 12 A F E -A 18 0A 29 8,-2.2 8,-2.9 -2,-0.2 2,-0.8 -0.958 42.3 -91.9-151.3 171.6 -11.3 32.2 58.4 11 13 A C E -A 17 0A 109 -2,-0.3 2,-0.7 6,-0.2 6,-0.2 -0.833 33.3-160.9 -96.9 109.7 -10.8 30.2 55.3 12 14 A S > - 0 0 10 4,-1.9 3,-2.6 -2,-0.8 4,-0.2 -0.828 29.6-115.2 -87.8 112.4 -8.6 32.1 52.8 13 15 A A T 3 S+ 0 0 97 -2,-0.7 4,-0.0 1,-0.3 -1,-0.0 -0.273 97.5 3.0 -57.0 120.0 -9.2 30.5 49.3 14 16 A G T 3 S+ 0 0 85 1,-0.0 -1,-0.3 -2,-0.0 -3,-0.0 0.347 126.7 70.1 84.0 -3.5 -6.0 28.9 48.0 15 17 A K S < S- 0 0 59 -3,-2.6 -2,-0.2 1,-0.4 -3,-0.1 0.034 91.7-135.0-130.2 22.9 -4.2 29.8 51.3 16 18 A G - 0 0 37 -4,-0.2 -4,-1.9 -5,-0.1 -1,-0.4 -0.333 68.4 -1.6 61.6-128.9 -5.8 27.5 53.8 17 19 A R E S+A 11 0A 48 415,-2.9 2,-0.2 -6,-0.2 -6,-0.2 -0.705 75.4 167.1 -95.6 150.5 -6.8 29.2 57.1 18 20 A G E -A 10 0A 0 -8,-2.9 -8,-2.2 -2,-0.3 2,-0.4 -0.816 35.7 -95.1-147.9-175.4 -6.0 32.9 57.7 19 21 A L E -AB 9 234A 0 215,-0.5 215,-2.9 -2,-0.2 2,-0.3 -0.949 34.6-170.4-114.8 132.7 -6.7 35.9 59.9 20 22 A R E -AB 8 233A 76 -12,-2.6 -12,-2.0 -2,-0.4 2,-0.3 -0.944 20.8-125.6-124.0 143.2 -9.4 38.4 59.0 21 23 A A E -A 7 0A 0 211,-2.5 210,-2.9 -2,-0.3 -14,-0.3 -0.705 15.0-170.5 -84.7 142.7 -10.1 41.9 60.5 22 24 A L S S+ 0 0 63 -16,-3.0 -15,-0.2 -2,-0.3 -1,-0.1 0.631 77.2 27.3-100.5 -25.0 -13.8 42.5 61.7 23 25 A R S S- 0 0 120 -17,-0.9 2,-0.1 206,-0.1 208,-0.1 -0.833 102.2 -79.3-133.2 164.1 -13.3 46.2 62.3 24 26 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 205,-0.2 -0.465 37.1-164.6 -72.4 145.5 -10.9 48.8 60.7 25 27 A F B -C 228 0B 3 203,-2.4 203,-3.0 -2,-0.1 2,-0.2 -0.976 8.7-160.0-123.2 135.8 -7.3 49.0 61.9 26 28 A H > - 0 0 102 -2,-0.4 3,-2.4 201,-0.2 198,-0.4 -0.720 41.2 -56.7-110.5 169.8 -5.3 52.1 61.0 27 29 A V T 3 S+ 0 0 48 1,-0.3 198,-0.2 -2,-0.2 -1,-0.1 -0.170 124.5 11.9 -52.6 126.7 -1.5 52.6 60.8 28 30 A G T 3 S+ 0 0 23 196,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.249 91.2 139.2 89.3 -7.3 0.2 51.8 64.1 29 31 A D < - 0 0 68 -3,-2.4 195,-2.3 195,-0.1 2,-0.6 -0.479 54.8-124.0 -72.1 139.1 -2.8 50.1 65.7 30 32 A L E -D 223 0C 72 193,-0.2 193,-0.3 -2,-0.2 3,-0.1 -0.711 24.1-175.4 -83.3 118.7 -2.2 46.9 67.7 31 33 A L E - 0 0 10 191,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.932 63.1 -39.9 -76.6 -51.4 -4.3 44.1 66.3 32 34 A F E -D 222 0C 11 190,-0.9 190,-2.2 -28,-0.0 -1,-0.3 -0.963 48.0-130.8-165.8 167.8 -3.3 41.5 69.0 33 35 A S E -D 221 0C 42 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.906 17.3-163.2-128.0 154.8 -0.5 40.3 71.2 34 36 A C E -D 220 0C 0 186,-2.6 186,-2.8 -2,-0.3 89,-0.1 -0.922 13.8-137.2-145.3 116.0 0.5 36.6 71.7 35 37 A P E -D 219 0C 60 0, 0.0 2,-0.2 0, 0.0 184,-0.2 -0.344 42.5 -91.6 -68.9 152.7 2.8 35.2 74.4 36 38 A A - 0 0 22 182,-0.6 161,-0.2 1,-0.2 3,-0.2 -0.495 25.0-156.7 -66.8 130.2 5.3 32.6 73.3 37 39 A Y S S- 0 0 11 159,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.847 85.1 -9.9 -69.6 -37.7 4.0 29.0 73.5 38 40 A A E S+F 196 0D 2 158,-0.9 158,-2.4 -3,-0.1 -1,-0.4 -0.951 74.7 173.0-156.6 147.5 7.7 27.9 73.6 39 41 A C E -F 195 0D 17 -2,-0.3 2,-0.4 156,-0.2 156,-0.2 -0.984 13.6-159.5-157.8 155.4 10.9 29.8 73.1 40 42 A V E -F 194 0D 1 154,-2.5 154,-1.9 -2,-0.3 2,-0.2 -0.994 21.8-125.4-142.8 130.9 14.6 29.3 73.5 41 43 A L E -F 193 0D 1 10,-0.4 152,-0.3 -2,-0.4 5,-0.1 -0.561 36.4-107.8 -74.6 137.1 17.4 31.8 73.8 42 44 A T > - 0 0 22 150,-3.0 3,-1.5 -2,-0.2 4,-0.3 -0.310 25.6-118.9 -64.2 144.2 20.2 31.5 71.2 43 45 A V G > S+ 0 0 82 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.881 110.9 62.1 -53.6 -41.8 23.6 30.1 72.6 44 46 A G G 3 S+ 0 0 61 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.657 101.6 52.9 -57.0 -25.1 25.5 33.3 71.7 45 47 A E G X> S+ 0 0 47 -3,-1.5 3,-2.2 147,-0.2 4,-1.9 0.425 75.8 127.9 -94.6 -0.3 23.2 35.4 74.0 46 48 A R T <4 S+ 0 0 38 -3,-2.0 4,-0.1 -4,-0.3 23,-0.1 -0.319 79.9 16.3 -58.1 135.2 23.7 33.3 77.2 47 49 A G T 34 S+ 0 0 29 2,-0.5 13,-0.3 21,-0.1 -1,-0.3 0.298 122.8 65.6 84.0 -9.1 24.8 35.5 80.1 48 50 A H T <4 S+ 0 0 111 -3,-2.2 9,-1.0 1,-0.3 2,-0.3 0.675 105.3 31.2-112.2 -34.0 23.7 38.6 78.2 49 51 A H B < S-H 56 0E 8 -4,-1.9 -2,-0.5 7,-0.2 -1,-0.3 -0.950 93.4 -96.4-127.8 146.8 19.9 38.0 78.0 50 52 A C > - 0 0 0 5,-2.5 4,-1.7 -2,-0.3 21,-0.2 -0.445 27.2-137.4 -62.5 130.7 17.5 36.2 80.4 51 53 A E T 4 S+ 0 0 8 19,-3.2 -10,-0.4 1,-0.2 -1,-0.1 0.751 99.6 41.3 -58.3 -28.6 17.0 32.6 79.3 52 54 A C T 4 S+ 0 0 9 18,-0.3 -1,-0.2 -12,-0.1 19,-0.1 0.946 131.5 12.9 -87.2 -58.8 13.2 33.0 80.1 53 55 A C T 4 S- 0 0 34 2,-0.1 166,-0.2 164,-0.1 -2,-0.2 0.341 91.3-123.9-104.5 -3.6 12.0 36.4 79.0 54 56 A F < + 0 0 8 -4,-1.7 163,-0.1 1,-0.2 -3,-0.1 0.550 49.5 164.8 67.1 17.4 14.9 37.5 76.8 55 57 A A - 0 0 26 -6,-0.1 -5,-2.5 1,-0.1 2,-0.8 -0.390 39.3-130.0 -65.1 135.9 15.5 40.8 78.8 56 58 A R B +H 49 0E 157 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.840 49.1 153.5 -87.8 104.3 18.9 42.4 78.1 57 59 A K - 0 0 104 -9,-1.0 3,-0.4 -2,-0.8 2,-0.3 -0.994 43.7-131.8-138.7 147.0 20.2 43.0 81.6 58 60 A E S S+ 0 0 190 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.0 -0.661 92.2 30.3 -87.0 150.2 23.6 43.3 83.4 59 61 A G S S+ 0 0 83 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.903 75.9 178.6 66.4 45.5 24.0 41.2 86.5 60 62 A L - 0 0 20 -3,-0.4 2,-0.4 -13,-0.3 12,-0.2 -0.583 31.8-117.6 -74.8 141.8 21.7 38.3 85.6 61 63 A S E -I 71 0F 53 10,-2.4 10,-2.6 -2,-0.2 2,-0.2 -0.686 32.0-138.8 -83.6 129.1 21.6 35.6 88.4 62 64 A K E -I 70 0F 113 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.502 23.1 -93.6 -86.9 159.4 22.9 32.2 87.1 63 65 A C > - 0 0 9 6,-2.8 4,-1.9 -2,-0.2 6,-0.1 -0.576 32.9-139.3 -69.4 126.9 21.6 28.6 87.7 64 66 A G T 4 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.796 93.7 44.7 -57.2 -35.5 23.5 27.2 90.7 65 67 A R T 4 S+ 0 0 140 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.969 128.2 17.6 -78.2 -59.0 23.9 23.7 89.2 66 68 A C T 4 S- 0 0 17 3,-0.1 -2,-0.2 26,-0.0 -1,-0.1 0.664 80.5-149.4 -88.8 -22.1 25.0 24.2 85.5 67 69 A K S < S+ 0 0 127 -4,-1.9 -3,-0.1 2,-0.1 3,-0.1 0.725 76.9 93.1 55.7 28.5 26.1 27.8 85.9 68 70 A Q + 0 0 66 1,-0.1 2,-0.4 -5,-0.1 -21,-0.1 0.675 63.3 72.9-118.8 -36.0 25.1 28.2 82.1 69 71 A A - 0 0 1 -6,-0.1 -6,-2.8 -23,-0.1 2,-0.3 -0.762 66.6-161.3 -89.2 130.9 21.4 29.4 82.3 70 72 A F E -I 62 0F 40 -2,-0.4 -19,-3.2 -21,-0.3 -18,-0.3 -0.914 8.3-173.2-119.2 141.8 21.0 33.1 83.4 71 73 A Y E -I 61 0F 0 -10,-2.6 -10,-2.4 -2,-0.3 3,-0.1 -0.951 36.1-126.7-138.7 152.7 17.9 34.8 84.7 72 74 A C S S- 0 0 29 -2,-0.3 2,-0.3 -12,-0.2 -1,-0.1 0.889 90.7 -37.0 -54.1 -51.3 16.4 38.3 85.7 73 75 A D S > S- 0 0 67 -12,-0.1 4,-2.0 -13,-0.1 3,-0.3 -0.908 76.9 -70.6-162.7-178.1 15.4 36.9 89.1 74 76 A V H > S+ 0 0 81 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.800 125.2 62.3 -60.9 -31.1 14.0 33.7 90.8 75 77 A E H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 106.8 42.0 -63.0 -45.7 10.6 34.3 89.1 76 78 A C H > S+ 0 0 16 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.901 114.3 53.6 -65.2 -38.6 12.1 34.0 85.6 77 79 A Q H X S+ 0 0 55 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.899 110.6 46.3 -60.8 -43.5 14.2 31.0 86.8 78 80 A K H < S+ 0 0 145 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.853 110.7 51.6 -67.4 -42.7 11.0 29.2 88.1 79 81 A E H < S+ 0 0 129 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.909 115.7 42.6 -62.1 -41.0 9.0 29.9 84.9 80 82 A D H >X S+ 0 0 8 -4,-2.3 4,-3.1 1,-0.2 3,-1.9 0.649 89.1 92.7 -76.9 -20.0 11.9 28.4 82.9 81 83 A W H 3X S+ 0 0 120 -4,-1.1 4,-2.8 1,-0.3 5,-0.2 0.836 78.1 58.1 -47.7 -45.3 12.6 25.4 85.2 82 84 A P H 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.751 120.6 32.1 -55.7 -24.5 10.2 22.8 83.4 83 85 A L H X4 S+ 0 0 11 -3,-1.9 3,-1.5 -4,-0.2 4,-0.3 0.858 117.2 51.6 -98.4 -47.4 12.3 23.5 80.3 84 86 A H H >X S+ 0 0 4 -4,-3.1 4,-2.7 1,-0.3 3,-2.0 0.818 99.8 66.6 -59.5 -33.3 15.8 24.2 81.8 85 87 A K T 3< S+ 0 0 104 -4,-2.8 4,-0.4 1,-0.3 -1,-0.3 0.709 93.1 61.6 -62.2 -20.4 15.5 20.9 83.8 86 88 A L T <4 S+ 0 0 8 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.581 120.1 23.6 -78.1 -14.1 15.7 19.0 80.5 87 89 A E T <> S+ 0 0 1 -3,-2.0 4,-2.4 -4,-0.3 -2,-0.2 0.639 99.7 85.2-123.5 -30.8 19.1 20.5 79.8 88 90 A C H >X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 3,-0.5 0.912 97.1 39.2 -42.2 -66.0 20.7 21.4 83.2 89 91 A S H 3> S+ 0 0 20 -4,-0.4 4,-2.3 1,-0.2 3,-0.4 0.851 115.6 53.5 -58.5 -39.8 22.2 18.0 84.1 90 92 A S H 3> S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.821 106.4 52.2 -65.0 -36.3 23.3 17.3 80.5 91 93 A M H << S+ 0 0 16 -4,-2.4 -1,-0.2 -3,-0.5 -2,-0.2 0.774 111.2 48.4 -71.8 -26.0 25.1 20.7 80.3 92 94 A V H < S+ 0 0 74 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.960 117.8 38.9 -73.7 -56.0 27.0 19.7 83.6 93 95 A V H < S+ 0 0 115 -4,-2.3 2,-0.4 1,-0.1 -2,-0.2 0.987 122.9 38.9 -57.6 -69.9 28.0 16.1 82.4 94 96 A L S < S- 0 0 72 -4,-1.7 -1,-0.1 1,-0.2 4,-0.0 -0.697 75.5-166.9 -85.5 131.8 28.8 17.0 78.7 95 97 A G S > S- 0 0 46 -2,-0.4 3,-1.1 2,-0.0 -1,-0.2 0.753 75.7 -15.8 -82.0-105.9 30.6 20.3 78.4 96 98 A E T 3 S+ 0 0 166 1,-0.2 -2,-0.1 3,-0.0 -5,-0.0 0.525 127.2 79.8 -77.5 -6.4 30.9 21.8 74.9 97 99 A N T 3 S+ 0 0 125 1,-0.1 2,-1.1 -6,-0.1 -1,-0.2 0.595 74.2 80.9 -73.8 -16.0 29.9 18.2 73.7 98 100 A W < + 0 0 16 -3,-1.1 -1,-0.1 -7,-0.1 59,-0.0 -0.792 56.6 143.2 -95.0 90.3 26.2 19.0 74.5 99 101 A N + 0 0 117 -2,-1.1 -1,-0.1 2,-0.0 3,-0.1 -0.350 17.7 170.3-129.8 57.9 25.3 21.0 71.4 100 102 A P - 0 0 11 0, 0.0 50,-0.0 0, 0.0 -2,-0.0 -0.443 43.9-105.4 -64.8 141.0 21.7 20.3 70.1 101 103 A S > - 0 0 56 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.154 29.5-106.2 -59.9 160.7 20.7 22.8 67.3 102 104 A E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.887 121.7 52.3 -57.2 -43.1 18.3 25.7 68.2 103 105 A T H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 109.8 49.0 -60.4 -42.6 15.4 24.0 66.3 104 106 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 111.5 49.5 -65.1 -43.4 16.0 20.7 68.3 105 107 A R H X S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.890 112.8 47.9 -62.2 -40.9 16.0 22.7 71.6 106 108 A L H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.921 111.1 49.5 -65.8 -43.9 12.8 24.4 70.6 107 109 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.904 106.1 56.3 -66.5 -37.0 11.1 21.2 69.6 108 110 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.935 108.6 49.2 -56.8 -44.8 12.1 19.6 72.9 109 111 A R H X S+ 0 0 3 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.870 108.5 51.5 -63.1 -41.0 10.3 22.5 74.7 110 112 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.927 109.8 50.7 -61.7 -43.5 7.2 22.0 72.5 111 113 A L H X S+ 0 0 10 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.932 111.7 47.4 -59.7 -44.6 7.2 18.3 73.5 112 114 A A H X S+ 0 0 15 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.932 114.8 46.0 -60.5 -47.2 7.5 19.2 77.2 113 115 A K H X S+ 0 0 59 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.869 109.8 53.8 -64.2 -44.2 4.6 21.8 76.9 114 116 A Q H < S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.7 50.1 -57.5 -45.0 2.3 19.5 74.9 115 117 A K H < S+ 0 0 135 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.876 116.5 39.5 -62.8 -43.8 2.6 16.7 77.6 116 118 A I H < S+ 0 0 135 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.950 127.2 29.3 -73.0 -50.5 1.8 19.0 80.5 117 119 A H < + 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.789 59.8 166.2-114.0 83.1 -1.0 21.2 78.9 118 120 A P + 0 0 102 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.875 61.4 80.7 -65.6 -31.3 -2.9 19.1 76.3 119 121 A E S S- 0 0 141 1,-0.1 2,-0.1 -5,-0.0 -2,-0.0 -0.176 101.7 -77.9 -68.8 161.7 -5.7 21.8 76.2 120 122 A R - 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