==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/PROTEIN BINDING 28-MAY-09 2KJH . COMPND 2 MOLECULE: UBIQUITIN/ISG15-CONJUGATING ENZYME E2 L6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.A.SERNIWKA,G.S.SHAW . 226 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 18.1 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 . 1 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 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 2 A A >> 0 0 75 0, 0.0 4,-1.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -81.2 20.3 -18.8 2.1 2 3 A S H 3> + 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.744 360.0 76.4 -66.9 -23.5 22.1 -16.0 3.8 3 4 A M H 3> S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 97.8 42.7 -53.2 -48.6 25.1 -16.6 1.5 4 5 A R H <> S+ 0 0 56 -3,-0.6 4,-3.2 2,-0.2 5,-0.2 0.903 111.6 55.6 -66.1 -40.2 23.3 -14.9 -1.4 5 6 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.906 108.2 48.3 -58.2 -43.9 22.1 -12.1 0.9 6 7 A V H X S+ 0 0 62 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.907 112.9 48.6 -63.8 -41.1 25.7 -11.4 1.9 7 8 A K H X S+ 0 0 102 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.945 111.1 48.8 -64.3 -48.5 26.7 -11.4 -1.8 8 9 A E H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.896 114.9 46.1 -58.2 -41.9 23.9 -9.1 -2.8 9 10 A L H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.9 51.9 -67.1 -46.3 24.8 -6.7 0.0 10 11 A E H < S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.6 45.2 -58.8 -37.4 28.6 -6.9 -0.7 11 12 A D H >X S+ 0 0 69 -4,-2.4 4,-1.6 1,-0.2 3,-1.2 0.931 114.6 46.2 -72.7 -46.3 27.8 -6.0 -4.4 12 13 A L H 3< S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.789 106.6 59.4 -67.8 -28.9 25.4 -3.2 -3.5 13 14 A Q T 3< S+ 0 0 71 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.536 108.4 46.4 -77.6 -6.2 27.8 -1.8 -0.9 14 15 A K T <4 S+ 0 0 123 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.2 0.751 128.5 20.6-102.4 -34.6 30.4 -1.3 -3.6 15 16 A K S < S+ 0 0 178 -4,-1.6 -1,-0.1 2,-0.0 -2,-0.1 -0.589 80.5 177.7-135.6 71.2 28.2 0.3 -6.3 16 17 A P - 0 0 70 0, 0.0 -3,-0.1 0, 0.0 5,-0.0 -0.533 33.3-107.6 -79.2 141.1 25.1 1.7 -4.6 17 18 A P > - 0 0 30 0, 0.0 3,-2.2 0, 0.0 -2,-0.0 -0.240 28.7-110.8 -62.9 154.3 22.5 3.6 -6.7 18 19 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.611 119.8 51.2 -63.3 -11.4 22.3 7.5 -6.3 19 20 A Y T 3 S+ 0 0 50 1,-0.2 19,-2.8 18,-0.1 2,-0.4 0.290 102.5 66.2-108.5 8.0 18.9 7.0 -4.6 20 21 A L E < +A 37 0A 1 -3,-2.2 2,-0.3 17,-0.2 3,-0.2 -0.897 61.5 157.9-135.5 105.5 20.1 4.4 -2.1 21 22 A R E +A 36 0A 113 15,-2.4 15,-3.2 -2,-0.4 -2,-0.0 -0.817 53.0 33.0-124.7 164.3 22.6 5.5 0.6 22 23 A N E S+ 0 0 110 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.847 73.3 171.3 60.7 37.8 23.6 4.2 4.1 23 24 A L E + 0 0 13 -3,-0.2 2,-0.3 12,-0.1 12,-0.2 -0.710 12.7 132.9 -84.9 116.1 23.0 0.6 3.0 24 25 A S E -A 34 0A 58 10,-2.5 10,-3.1 -2,-0.6 2,-0.1 -0.955 54.5 -89.9-153.7 166.4 24.2 -1.8 5.6 25 26 A S E -A 33 0A 51 -2,-0.3 8,-0.2 8,-0.2 5,-0.2 -0.371 55.1 -83.6 -79.4 162.4 23.0 -4.9 7.5 26 27 A D E > -A 29 0A 37 6,-2.2 3,-1.2 3,-1.4 -1,-0.1 -0.303 38.1-113.7 -64.3 149.9 21.2 -4.8 10.8 27 28 A D T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.780 115.4 15.8 -55.7 -29.4 23.3 -4.5 13.9 28 29 A A T 3 S+ 0 0 90 1,-0.2 2,-0.3 4,-0.0 -1,-0.3 -0.006 123.1 61.8-136.0 30.3 22.2 -8.0 15.0 29 30 A N E X -A 26 0A 67 -3,-1.2 -3,-1.4 3,-0.2 3,-0.7 -0.846 45.0-170.9-162.0 120.7 20.7 -9.5 11.8 30 31 A V E 3 S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.632 93.0 62.9 -83.9 -14.1 22.2 -10.3 8.4 31 32 A L E 3 S+ 0 0 40 1,-0.1 24,-3.5 24,-0.1 2,-0.5 0.315 93.9 74.9 -91.5 6.7 18.8 -11.0 7.0 32 33 A V E < - B 0 54A 6 -3,-0.7 -6,-2.2 22,-0.2 2,-0.3 -0.971 67.9-158.9-125.2 118.7 17.7 -7.4 7.7 33 34 A W E -AB 25 53A 0 20,-2.3 20,-2.0 -2,-0.5 2,-0.4 -0.747 0.3-159.0 -98.7 143.7 18.9 -4.6 5.4 34 35 A H E +AB 24 52A 57 -10,-3.1 -10,-2.5 -2,-0.3 2,-0.3 -0.987 25.3 149.4-122.0 126.0 19.0 -0.9 6.4 35 36 A A E - B 0 51A 0 16,-1.4 16,-2.6 -2,-0.4 2,-0.6 -0.990 41.0-124.9-154.1 158.9 19.1 1.8 3.8 36 37 A L E -AB 21 50A 15 -15,-3.2 -15,-2.4 -2,-0.3 2,-0.4 -0.940 24.3-147.0-110.6 117.8 18.0 5.4 3.1 37 38 A L E -AB 20 49A 2 12,-3.5 12,-2.3 -2,-0.6 -17,-0.2 -0.703 5.2-159.0 -86.3 132.0 15.9 6.0 -0.0 38 39 A L - 0 0 10 -19,-2.8 10,-0.1 -2,-0.4 7,-0.1 -0.802 10.4-163.9-113.6 88.1 16.4 9.3 -1.8 39 40 A P - 0 0 0 0, 0.0 8,-0.1 0, 0.0 69,-0.1 -0.412 11.9-159.1 -70.3 146.0 13.4 10.0 -4.0 40 41 A D + 0 0 122 -2,-0.1 5,-0.3 2,-0.1 71,-0.0 0.705 62.1 101.7 -96.4 -25.4 13.8 12.7 -6.6 41 42 A Q S >> S- 0 0 60 3,-0.1 4,-0.8 1,-0.1 3,-0.7 -0.307 83.8 -69.4 -61.9 138.2 10.1 13.4 -7.0 42 43 A P T 34 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.531 111.0 3.2 -76.7 142.3 8.9 16.6 -5.2 43 44 A P T >4 S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.927 119.5 70.3-100.1 20.9 8.6 17.1 -2.4 44 45 A Y G X4 S+ 0 0 4 -3,-0.7 3,-0.8 1,-0.3 -3,-0.1 0.633 86.5 74.5 -66.1 -13.6 10.1 13.8 -1.3 45 46 A H G 3< S+ 0 0 82 -4,-0.8 -1,-0.3 -5,-0.3 -5,-0.0 0.502 80.8 71.6 -78.2 -3.7 13.5 15.0 -2.6 46 47 A L G < S+ 0 0 61 -3,-1.8 103,-0.6 102,-0.0 -1,-0.2 0.750 111.1 11.6 -82.2 -25.1 13.7 17.3 0.4 47 48 A K E < S-D 148 0B 45 -3,-0.8 2,-0.3 -4,-0.3 101,-0.2 -0.665 76.5-111.5-136.4-170.7 14.3 14.4 2.8 48 49 A A E -D 147 0B 0 99,-3.4 99,-2.3 -2,-0.2 2,-0.5 -0.914 16.7-140.7-129.0 156.6 15.1 10.7 2.9 49 50 A F E -B 37 0A 0 -12,-2.3 -12,-3.5 -2,-0.3 2,-0.3 -0.977 13.4-138.1-123.9 126.5 13.2 7.7 3.9 50 51 A N E -B 36 0A 29 -2,-0.5 19,-3.0 -14,-0.3 20,-1.4 -0.646 21.0-165.0 -83.7 134.5 14.6 4.7 5.8 51 52 A L E -BC 35 68A 0 -16,-2.6 -16,-1.4 -2,-0.3 2,-0.6 -0.927 11.5-147.8-122.0 146.6 13.5 1.3 4.6 52 53 A R E -BC 34 67A 88 15,-3.5 15,-2.4 -2,-0.4 2,-0.6 -0.952 9.2-159.1-116.8 114.8 13.9 -2.1 6.3 53 54 A I E -BC 33 66A 0 -20,-2.0 -20,-2.3 -2,-0.6 2,-0.7 -0.844 6.1-161.3 -96.4 118.4 14.3 -5.2 4.1 54 55 A S E -BC 32 65A 26 11,-3.1 11,-2.1 -2,-0.6 -22,-0.2 -0.887 4.6-154.7-104.4 112.2 13.4 -8.4 5.9 55 56 A F - 0 0 10 -24,-3.5 -24,-0.1 -2,-0.7 -53,-0.0 -0.728 15.5-130.8 -87.6 128.5 14.8 -11.5 4.2 56 57 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 6,-0.1 -0.426 18.7-118.0 -75.4 152.4 12.8 -14.8 4.9 57 58 A P T 3 S+ 0 0 104 0, 0.0 -55,-0.1 0, 0.0 -2,-0.0 0.663 114.0 61.2 -64.2 -15.3 14.6 -17.9 6.0 58 59 A E T >> S- 0 0 87 5,-0.1 3,-1.8 2,-0.1 4,-1.0 0.038 92.6-174.5 -99.9 24.1 13.5 -19.6 2.8 59 60 A Y T <4 + 0 0 7 -3,-1.5 -55,-0.1 1,-0.3 -54,-0.1 -0.378 59.4 14.8 -63.5 142.9 15.3 -17.1 0.6 60 61 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 37,-0.1 -0.922 123.5 59.2 -97.3 20.3 15.3 -16.9 -2.3 61 62 A F T <4 S+ 0 0 154 -3,-1.8 -2,-0.2 -5,-0.1 35,-0.1 0.817 107.6 55.8 -70.3 -29.3 12.2 -19.1 -2.6 62 63 A K S < S- 0 0 77 -4,-1.0 -1,-0.1 -6,-0.1 28,-0.0 -0.887 95.5-115.2-107.1 133.5 10.4 -16.6 -0.5 63 64 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 25,-0.1 -0.385 32.4-108.2 -67.9 139.8 10.2 -12.9 -1.4 64 65 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 -9,-0.2 -0.550 29.0-131.4 -71.7 124.8 11.9 -10.3 0.9 65 66 A M E -C 54 0A 114 -11,-2.1 -11,-3.1 -2,-0.4 2,-0.5 -0.680 24.9-165.9 -81.8 112.8 9.4 -8.2 2.8 66 67 A I E +C 53 0A 9 -2,-0.7 17,-0.4 -13,-0.2 2,-0.3 -0.865 12.6 168.5-104.1 131.7 10.3 -4.6 2.5 67 68 A K E -C 52 0A 66 -15,-2.4 -15,-3.5 -2,-0.5 2,-0.4 -0.926 35.7-105.8-135.8 160.8 8.8 -2.0 4.8 68 69 A F E -C 51 0A 1 13,-2.4 -17,-0.3 -2,-0.3 4,-0.0 -0.735 16.7-165.3 -91.3 134.2 9.4 1.7 5.6 69 70 A T S S+ 0 0 64 -19,-3.0 -18,-0.2 -2,-0.4 -1,-0.2 0.866 79.1 43.4 -81.3 -39.9 11.0 2.5 8.9 70 71 A T S S- 0 0 27 -20,-1.4 2,-0.5 11,-0.1 76,-0.2 -0.006 99.9 -90.7 -89.1-164.2 10.1 6.2 8.7 71 72 A K - 0 0 61 74,-1.8 2,-0.5 70,-0.1 74,-0.2 -0.960 36.7-174.6-121.2 118.8 6.8 7.8 7.6 72 73 A I - 0 0 10 -2,-0.5 2,-2.1 6,-0.3 5,-0.1 -0.949 22.6-142.2-116.7 122.3 6.2 8.6 3.9 73 74 A Y + 0 0 34 -2,-0.5 69,-0.1 65,-0.3 68,-0.1 -0.518 53.0 137.2 -80.2 74.7 3.1 10.5 2.8 74 75 A H > - 0 0 1 -2,-2.1 3,-2.3 4,-0.1 -2,-0.1 -0.977 61.3-131.7-126.1 137.5 2.6 8.5 -0.5 75 76 A P T 3 S+ 0 0 1 0, 0.0 44,-2.8 0, 0.0 45,-1.7 0.540 110.2 54.9 -62.8 -6.1 -0.6 7.1 -2.0 76 77 A N T 3 S+ 0 0 13 42,-0.2 8,-0.6 43,-0.2 2,-0.3 0.223 101.8 68.0-110.5 11.0 1.2 3.8 -2.5 77 78 A V B < S-E 83 0C 3 -3,-2.3 6,-0.2 6,-0.1 -3,-0.1 -0.970 77.5-127.5-130.7 145.1 2.3 3.5 1.1 78 79 A D - 0 0 49 4,-2.1 -6,-0.3 -2,-0.3 -4,-0.1 -0.335 32.0-101.2 -86.1 172.5 0.1 2.9 4.2 79 80 A E S S+ 0 0 138 1,-0.2 -1,-0.1 2,-0.1 41,-0.0 0.743 123.0 44.2 -65.3 -25.1 0.1 4.9 7.5 80 81 A N S S- 0 0 122 -9,-0.1 -1,-0.2 2,-0.0 -13,-0.0 0.903 125.6 -93.8 -84.5 -48.7 2.2 2.2 9.2 81 82 A G S S+ 0 0 1 1,-0.1 -13,-2.4 -10,-0.1 2,-0.2 0.474 73.6 140.9 140.8 20.5 4.8 1.7 6.4 82 83 A Q - 0 0 110 -15,-0.2 -4,-2.1 37,-0.0 2,-0.3 -0.552 27.6-166.6 -87.7 154.7 3.5 -1.2 4.4 83 84 A I B -E 77 0C 22 -17,-0.4 2,-0.5 -2,-0.2 -6,-0.1 -0.899 21.8-134.1-137.4 164.7 3.6 -1.4 0.6 84 85 A a + 0 0 25 -8,-0.6 143,-0.2 -2,-0.3 5,-0.1 -0.806 30.2 169.5-124.0 87.4 2.2 -3.5 -2.2 85 86 A L > - 0 0 8 -2,-0.5 3,-1.7 1,-0.1 -19,-0.1 -0.889 23.5-159.4-104.0 111.1 5.0 -4.5 -4.7 86 87 A P G > S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 6,-0.2 0.794 90.4 67.8 -55.8 -30.9 3.9 -7.1 -7.3 87 88 A I G 3 S+ 0 0 46 1,-0.3 7,-0.5 15,-0.1 10,-0.1 0.782 114.5 27.2 -61.6 -27.7 7.5 -8.0 -7.8 88 89 A I G < S+ 0 0 15 -3,-1.7 -1,-0.3 138,-0.2 5,-0.2 -0.166 100.0 117.9-127.9 39.3 7.7 -9.4 -4.3 89 90 A S S < S- 0 0 3 3,-1.5 3,-0.4 -3,-1.4 138,-0.0 -0.518 75.7-116.0-102.1 170.7 4.1 -10.4 -3.8 90 91 A S S S+ 0 0 109 137,-3.1 3,-0.1 1,-0.2 -1,-0.1 0.439 118.2 57.0 -83.8 0.6 2.5 -13.8 -3.2 91 92 A E S S+ 0 0 116 1,-0.3 2,-0.3 136,-0.3 -1,-0.2 0.587 122.0 16.4-101.9 -17.7 0.8 -13.3 -6.6 92 93 A N S S+ 0 0 95 -3,-0.4 -3,-1.5 -6,-0.2 -1,-0.3 -0.886 72.6 138.9-160.8 122.7 4.1 -12.8 -8.4 93 94 A W - 0 0 44 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.930 25.6-160.2-166.3 140.8 7.7 -13.7 -7.5 94 95 A K > - 0 0 103 -7,-0.5 3,-1.9 -2,-0.3 -32,-0.0 -0.986 14.0-151.0-129.8 121.4 10.8 -15.1 -9.1 95 96 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.706 98.4 65.8 -61.0 -20.2 13.7 -16.6 -7.1 96 97 A C T 3 S+ 0 0 102 -35,-0.1 2,-0.3 2,-0.1 -35,-0.1 0.670 82.8 95.3 -75.7 -17.3 16.0 -15.6 -9.9 97 98 A T < - 0 0 11 -3,-1.9 2,-0.2 -37,-0.1 -3,-0.0 -0.576 69.1-144.2 -78.9 133.4 15.2 -11.9 -9.1 98 99 A K >> - 0 0 69 -2,-0.3 4,-1.3 1,-0.1 3,-1.1 -0.594 24.3-110.2 -95.9 162.0 17.7 -10.2 -6.9 99 100 A T H 3> S+ 0 0 0 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.791 115.0 66.6 -60.3 -29.0 17.0 -7.6 -4.2 100 101 A C H 3> S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.873 101.4 48.1 -60.5 -37.2 18.7 -5.0 -6.3 101 102 A Q H <> S+ 0 0 89 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.871 110.3 51.5 -71.1 -37.4 15.9 -5.3 -8.9 102 103 A V H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.899 106.5 54.0 -65.6 -41.3 13.3 -5.1 -6.2 103 104 A L H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.870 108.0 50.9 -60.7 -38.1 14.9 -1.9 -4.8 104 105 A E H X S+ 0 0 109 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.948 110.3 48.0 -64.5 -48.8 14.7 -0.4 -8.3 105 106 A A H X S+ 0 0 28 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.896 112.4 50.4 -58.5 -42.2 11.0 -1.3 -8.6 106 107 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.943 110.0 49.2 -61.3 -49.3 10.4 0.2 -5.2 107 108 A N H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.889 110.7 51.1 -58.0 -41.9 12.2 3.5 -6.1 108 109 A V H X S+ 0 0 73 -4,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.926 112.0 45.9 -62.7 -44.4 10.2 3.7 -9.3 109 110 A L H < S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 111.8 52.3 -70.0 -29.2 6.9 3.3 -7.4 110 111 A V H < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.888 117.9 37.1 -73.0 -39.1 7.9 5.8 -4.7 111 112 A N H < S+ 0 0 16 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.939 122.6 43.4 -77.1 -50.2 8.8 8.4 -7.3 112 113 A R S < S- 0 0 155 -4,-3.4 -1,-0.2 -5,-0.2 2,-0.1 -0.862 85.6-145.1-103.1 106.4 6.0 7.6 -9.7 113 114 A P - 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