==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-DEC-04 1Y8X . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 M; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.T.HUANG,A.PAYDAR,M.ZHUANG,M.B.WADDELL,J.M.HOLTON, . 252 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 18.7 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 1 1 1 2 0 0 0 0 0 0 0 0 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 . 5 0 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 24 A G 0 0 93 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 153.3 7.4 -23.6 37.8 2 25 A S + 0 0 120 197,-0.0 198,-0.2 2,-0.0 2,-0.2 0.908 360.0 2.8 -89.0 -54.2 7.5 -22.8 41.5 3 26 A X S S- 0 0 48 1,-0.1 2,-0.4 197,-0.1 193,-0.0 -0.395 105.6 -58.4-116.1-166.6 6.9 -19.0 41.4 4 27 A A - 0 0 25 -2,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.666 55.4-122.7 -83.4 129.9 6.2 -16.7 38.4 5 28 A S > - 0 0 39 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.182 24.7-109.6 -65.1 161.6 8.9 -16.6 35.7 6 29 A A H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 123.0 53.2 -58.3 -39.5 10.6 -13.3 34.9 7 30 A A H > S+ 0 0 1 54,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.876 106.7 50.2 -61.9 -41.4 8.6 -13.5 31.6 8 31 A Q H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.835 109.2 52.0 -68.0 -32.9 5.3 -14.0 33.3 9 32 A L H X S+ 0 0 38 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.944 113.9 42.8 -67.1 -48.2 5.9 -11.0 35.6 10 33 A R H X S+ 0 0 54 -4,-2.2 4,-2.8 2,-0.2 3,-0.3 0.942 112.4 51.1 -64.5 -49.8 6.7 -8.8 32.7 11 34 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 5,-0.3 0.868 108.0 53.9 -58.6 -36.2 3.9 -9.9 30.4 12 35 A Q H X S+ 0 0 1 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.3 0.898 110.6 48.2 -63.0 -39.8 1.4 -9.4 33.2 13 36 A K H X S+ 0 0 22 -4,-1.5 4,-0.8 -3,-0.3 -2,-0.2 0.972 115.3 42.5 -62.7 -57.1 2.7 -5.9 33.5 14 37 A D H >< S+ 0 0 6 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.912 112.4 51.8 -59.3 -49.1 2.5 -5.1 29.8 15 38 A I H >< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.842 107.8 53.9 -58.1 -35.2 -0.9 -6.8 29.1 16 39 A N H 3< S+ 0 0 8 -4,-1.4 -1,-0.3 -5,-0.3 2,-0.2 0.686 105.9 55.6 -74.7 -17.0 -2.3 -4.7 32.0 17 40 A E T << S+ 0 0 52 -3,-1.2 2,-0.4 -4,-0.8 -1,-0.2 -0.442 72.4 140.3-115.3 58.3 -1.1 -1.5 30.4 18 41 A L < - 0 0 28 -3,-0.5 2,-0.2 -2,-0.2 -3,-0.0 -0.863 27.8-176.9-103.2 133.0 -2.6 -1.5 26.9 19 42 A N + 0 0 121 -2,-0.4 -1,-0.0 0, 0.0 -2,-0.0 -0.606 24.6 179.6-125.6 68.0 -3.9 1.7 25.4 20 43 A L - 0 0 44 -2,-0.2 -2,-0.0 1,-0.1 83,-0.0 -0.357 29.7-111.1 -77.0 148.2 -5.3 0.3 22.1 21 44 A P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.249 38.0-104.3 -67.8 164.4 -7.0 2.2 19.3 22 45 A K T 3 S+ 0 0 220 1,-0.3 20,-0.1 3,-0.0 -2,-0.1 0.773 119.5 66.1 -62.6 -24.6 -10.7 1.4 18.8 23 46 A T T 3 S+ 0 0 23 18,-0.1 19,-2.6 2,-0.0 2,-0.4 0.521 93.6 72.2 -75.5 -5.1 -9.7 -0.6 15.7 24 47 A C E < +A 41 0A 9 -3,-1.8 2,-0.4 17,-0.2 17,-0.2 -0.927 54.9 180.0-118.9 137.1 -7.9 -3.2 17.8 25 48 A D E -A 40 0A 94 15,-2.3 15,-2.6 -2,-0.4 2,-0.3 -0.989 10.7-156.6-137.0 129.5 -9.2 -5.8 20.1 26 49 A I E -A 39 0A 9 -2,-0.4 186,-0.4 13,-0.2 2,-0.3 -0.764 13.2-175.6-102.7 145.3 -7.2 -8.3 22.2 27 50 A S E -A 38 0A 41 11,-2.6 11,-2.5 -2,-0.3 2,-0.5 -1.000 15.5-154.9-144.3 146.0 -8.6 -11.7 23.5 28 51 A F - 0 0 2 -2,-0.3 9,-0.1 9,-0.2 6,-0.1 -0.977 7.7-159.9-120.5 126.4 -7.5 -14.5 25.6 29 52 A S S S+ 0 0 113 -2,-0.5 -1,-0.1 7,-0.4 8,-0.1 0.866 93.5 32.5 -70.1 -34.0 -8.9 -18.0 25.3 30 53 A D S > S- 0 0 74 3,-0.4 3,-2.5 6,-0.4 -1,-0.3 -0.932 70.2-154.5-128.5 109.5 -7.7 -18.7 28.8 31 54 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.737 99.0 55.7 -50.6 -25.2 -7.6 -15.9 31.4 32 55 A D T 3 S+ 0 0 36 1,-0.2 2,-0.8 171,-0.1 170,-0.1 0.660 96.3 70.0 -84.9 -16.4 -4.8 -17.8 33.2 33 56 A D X + 0 0 49 -3,-2.5 3,-0.6 1,-0.1 -3,-0.4 -0.842 49.5 165.4-107.7 100.4 -2.6 -18.0 30.1 34 57 A L T 3 + 0 0 2 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.315 68.5 73.7 -92.1 6.2 -1.2 -14.5 29.3 35 58 A L T 3 S+ 0 0 19 1,-0.2 24,-3.3 23,-0.1 2,-0.4 0.529 95.8 49.9 -97.2 -7.3 1.4 -15.9 27.0 36 59 A N E < + B 0 58A 55 -3,-0.6 -7,-0.4 22,-0.2 -6,-0.4 -0.973 69.7 134.2-135.7 121.6 -1.1 -16.8 24.2 37 60 A F E - B 0 57A 8 20,-1.4 20,-2.7 -2,-0.4 2,-0.3 -0.986 41.0-118.0-160.8 165.5 -3.6 -14.4 22.8 38 61 A K E -AB 27 56A 77 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.4 -0.847 13.5-157.8-112.8 148.8 -5.2 -13.0 19.7 39 62 A L E -AB 26 55A 0 16,-2.5 16,-2.9 -2,-0.3 2,-0.5 -0.981 8.1-159.6-123.0 133.5 -5.3 -9.5 18.4 40 63 A V E -AB 25 54A 33 -15,-2.6 -15,-2.3 -2,-0.4 2,-0.5 -0.973 4.3-167.3-118.6 125.3 -8.0 -8.4 15.9 41 64 A I E +AB 24 53A 2 12,-3.2 12,-2.5 -2,-0.5 -17,-0.2 -0.947 10.2 178.0-117.2 116.8 -7.5 -5.3 13.8 42 65 A C - 0 0 21 -19,-2.6 10,-0.2 -2,-0.5 8,-0.1 -0.786 24.5-147.5-115.9 85.0 -10.5 -3.8 11.9 43 66 A P - 0 0 12 0, 0.0 7,-1.9 0, 0.0 8,-0.2 -0.119 14.4-167.1 -51.4 147.1 -9.1 -0.7 10.1 44 67 A D S S+ 0 0 92 5,-0.2 2,-0.3 1,-0.2 5,-0.1 0.039 72.5 22.5-124.5 21.5 -11.4 2.2 9.6 45 68 A E S S+ 0 0 110 68,-0.1 3,-0.4 0, 0.0 -1,-0.2 -0.937 91.3 50.5-175.6 160.1 -9.3 4.1 7.1 46 69 A G S > S- 0 0 42 -2,-0.3 3,-2.0 1,-0.2 68,-0.1 -0.242 105.9 -44.3 90.3 175.2 -6.5 3.4 4.7 47 70 A F T 3 S+ 0 0 26 1,-0.3 -1,-0.2 67,-0.2 67,-0.1 0.708 138.1 50.9 -51.0 -26.2 -6.4 0.8 1.9 48 71 A Y T > S+ 0 0 0 65,-0.6 3,-2.0 -3,-0.4 -1,-0.3 0.145 73.7 146.6-104.5 20.5 -7.7 -1.8 4.3 49 72 A K T < S+ 0 0 121 -3,-2.0 -5,-0.2 1,-0.3 3,-0.1 -0.250 70.1 22.3 -55.3 141.9 -10.7 -0.1 5.7 50 73 A S T 3 S+ 0 0 77 -7,-1.9 110,-3.2 1,-0.3 -1,-0.3 0.339 98.9 120.7 80.8 -6.1 -13.6 -2.5 6.4 51 74 A G B < -E 159 0B 0 -3,-2.0 2,-0.4 108,-0.3 -1,-0.3 -0.423 53.9-142.3 -87.9 165.5 -11.3 -5.5 6.7 52 75 A K - 0 0 87 106,-2.8 2,-0.5 -10,-0.2 -10,-0.2 -0.977 17.4-175.0-130.0 120.6 -10.7 -7.8 9.6 53 76 A F E -B 41 0A 0 -12,-2.5 -12,-3.2 -2,-0.4 2,-0.5 -0.963 7.9-159.1-125.7 126.6 -7.3 -9.1 10.5 54 77 A V E -B 40 0A 33 -2,-0.5 19,-3.3 -14,-0.2 20,-0.6 -0.849 9.1-176.3-105.0 128.3 -6.4 -11.6 13.2 55 78 A F E -BC 39 72A 0 -16,-2.9 -16,-2.5 -2,-0.5 2,-0.4 -0.931 14.9-143.2-121.8 147.8 -2.9 -12.0 14.6 56 79 A S E -BC 38 71A 26 15,-2.2 15,-1.5 -2,-0.4 2,-0.4 -0.877 11.0-157.2-110.8 143.2 -1.7 -14.6 17.1 57 80 A F E -BC 37 70A 3 -20,-2.7 -20,-1.4 -2,-0.4 2,-0.4 -0.940 8.6-174.5-119.3 142.6 0.8 -13.8 19.8 58 81 A K E -BC 36 69A 114 11,-1.1 11,-2.4 -2,-0.4 2,-0.6 -0.892 12.0-155.9-139.7 105.1 3.0 -16.3 21.6 59 82 A V - 0 0 6 -24,-3.3 2,-0.1 -2,-0.4 -2,-0.0 -0.729 13.5-150.9 -86.9 120.6 5.1 -15.0 24.4 60 83 A G > - 0 0 39 -2,-0.6 3,-1.9 6,-0.2 6,-0.1 -0.394 28.3-107.7 -87.4 166.2 8.1 -17.1 25.2 61 84 A Q T 3 S+ 0 0 121 1,-0.3 -54,-0.3 -2,-0.1 4,-0.1 0.646 117.2 65.8 -66.0 -13.5 10.0 -17.6 28.5 62 85 A G T >> S+ 0 0 27 5,-0.1 4,-2.9 2,-0.1 3,-1.1 0.452 85.1 151.1 -87.0 -1.0 12.8 -15.4 27.0 63 86 A Y T <4 + 0 0 4 -3,-1.9 -53,-0.2 1,-0.3 -52,-0.1 -0.486 56.8 20.9 -70.9 145.6 10.5 -12.4 27.0 64 87 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 36,-0.2 -0.959 129.5 50.3 -83.5 4.5 11.1 -9.4 27.2 65 88 A H T <4 S+ 0 0 136 -3,-1.1 -2,-0.3 1,-0.1 -3,-0.1 0.978 117.8 44.4 -64.8 -52.3 14.7 -10.3 26.2 66 89 A D S < S- 0 0 81 -4,-2.9 -6,-0.2 -6,-0.1 -1,-0.1 -0.750 95.8-120.8 -92.2 134.4 13.2 -12.2 23.2 67 90 A P - 0 0 41 0, 0.0 -7,-0.1 0, 0.0 -5,-0.1 -0.380 36.7-101.6 -69.5 152.3 10.4 -10.5 21.3 68 91 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.285 37.0-104.6 -70.8 163.9 7.1 -12.5 21.2 69 92 A K E -C 58 0A 155 -11,-2.4 -11,-1.1 -3,-0.1 2,-0.4 -0.816 41.1-174.4 -93.7 120.6 6.2 -14.5 18.1 70 93 A V E +C 57 0A 6 -2,-0.6 17,-0.6 -13,-0.2 2,-0.3 -0.938 8.2 171.8-121.2 137.0 3.5 -12.9 15.9 71 94 A K E -CD 56 86A 70 -15,-1.5 -15,-2.2 -2,-0.4 2,-0.5 -0.984 31.5-123.0-139.8 149.5 1.7 -14.2 12.8 72 95 A C E -C 55 0A 9 13,-3.1 -17,-0.2 -2,-0.3 4,-0.1 -0.826 18.2-172.5 -93.5 126.4 -1.2 -13.1 10.7 73 96 A E + 0 0 101 -19,-3.3 2,-0.6 -2,-0.5 -18,-0.1 0.403 65.4 81.7 -97.1 0.4 -3.9 -15.8 10.5 74 97 A T S S- 0 0 26 -20,-0.6 84,-0.1 11,-0.1 11,-0.1 -0.932 84.6-124.7-110.0 118.4 -5.9 -13.9 7.9 75 98 A X + 0 0 60 -2,-0.6 2,-0.3 82,-0.1 8,-0.1 -0.396 44.7 167.2 -60.0 134.5 -4.8 -14.2 4.3 76 99 A V - 0 0 5 6,-0.1 2,-1.0 2,-0.1 9,-0.1 -0.994 44.1-120.5-154.0 148.7 -4.2 -10.6 3.0 77 100 A Y + 0 0 7 -2,-0.3 5,-0.1 64,-0.1 3,-0.1 -0.823 60.6 136.0 -91.2 103.0 -2.6 -8.9 0.1 78 101 A H B > -F 81 0C 0 -2,-1.0 3,-1.1 3,-0.6 48,-0.2 -0.993 60.5-129.6-154.2 142.3 0.0 -6.7 1.8 79 102 A P T 3 S+ 0 0 0 0, 0.0 43,-3.1 0, 0.0 44,-2.4 0.877 109.2 43.3 -59.3 -39.0 3.7 -5.9 1.2 80 103 A N T 3 S+ 0 0 1 41,-0.3 8,-3.0 42,-0.2 2,-0.4 0.293 108.7 58.6 -94.3 7.3 4.7 -6.7 4.8 81 104 A I B < S-FG 78 87C 2 -3,-1.1 -3,-0.6 6,-0.2 6,-0.2 -0.998 70.3-150.3-138.4 131.5 2.8 -10.0 5.3 82 105 A D > - 0 0 40 4,-1.5 3,-2.5 -2,-0.4 -6,-0.1 -0.517 35.2 -97.1 -98.9 170.5 3.2 -13.1 3.1 83 106 A L T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 40,-0.0 0.705 123.0 59.6 -58.1 -18.4 0.7 -15.8 2.2 84 107 A E T 3 S- 0 0 158 2,-0.1 -1,-0.3 -9,-0.0 -9,-0.1 0.603 119.2-107.6 -87.8 -9.8 2.1 -17.9 5.0 85 108 A G < + 0 0 6 -3,-2.5 -13,-3.1 1,-0.3 -2,-0.1 0.384 66.0 148.8 101.4 -4.5 1.3 -15.3 7.7 86 109 A N B -D 71 0A 51 -15,-0.2 -4,-1.5 1,-0.1 2,-0.5 -0.414 34.5-148.5 -66.3 139.3 4.8 -14.0 8.4 87 110 A V B -G 81 0C 0 -17,-0.6 2,-1.4 -6,-0.2 -6,-0.2 -0.934 7.0-150.2-117.3 120.5 4.9 -10.4 9.5 88 111 A C + 0 0 25 -8,-3.0 2,-0.5 -2,-0.5 3,-0.1 -0.650 35.5 151.7 -89.4 88.3 7.7 -8.1 8.7 89 112 A L >> - 0 0 10 -2,-1.4 3,-2.5 1,-0.2 4,-0.6 -0.978 40.8-143.1-118.5 117.7 7.7 -5.6 11.6 90 113 A N G >4>S+ 0 0 66 -2,-0.5 5,-2.2 1,-0.3 3,-2.1 0.892 100.4 50.5 -42.7 -56.8 11.1 -4.2 12.4 91 114 A I G 345S+ 0 0 30 1,-0.3 -1,-0.3 4,-0.2 6,-0.2 0.526 102.4 64.9 -65.7 -2.4 10.6 -4.1 16.2 92 115 A L G <45S+ 0 0 10 -3,-2.5 -1,-0.3 4,-0.1 -2,-0.2 0.653 121.6 5.9 -92.8 -17.4 9.5 -7.7 16.0 93 116 A R T X<5S+ 0 0 132 -3,-2.1 3,-1.0 -4,-0.6 -3,-0.1 0.440 136.1 7.7-126.7 -93.8 12.9 -8.8 14.9 94 117 A E T 3 5S+ 0 0 130 1,-0.2 -3,-0.2 3,-0.0 -4,-0.1 0.747 128.1 50.6 -72.4 -22.8 16.1 -6.8 14.5 95 118 A D T 3 - 0 0 130 -6,-0.2 3,-3.3 -2,-0.2 -32,-0.1 -0.996 37.5-121.7-139.5 133.8 14.4 -3.9 22.7 98 121 A P T 3 S+ 0 0 61 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 0.658 110.6 67.9 -47.1 -20.2 13.4 -5.3 26.1 99 122 A V T 3 S+ 0 0 116 -34,-0.1 2,-0.1 2,-0.1 -34,-0.1 0.671 83.5 91.6 -78.0 -17.1 12.0 -1.9 26.8 100 123 A L < - 0 0 37 -3,-3.3 2,-0.2 -36,-0.2 -4,-0.0 -0.408 63.0-155.7 -77.0 156.8 9.2 -2.4 24.2 101 124 A T > - 0 0 34 -2,-0.1 4,-2.2 -87,-0.1 3,-0.2 -0.695 35.5 -96.1-126.9 177.0 5.8 -3.8 25.1 102 125 A I H > S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.877 127.0 57.0 -60.4 -36.2 2.9 -5.6 23.6 103 126 A N H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.875 104.7 53.1 -62.1 -35.8 1.3 -2.2 23.3 104 127 A S H > S+ 0 0 36 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.944 111.3 44.4 -63.8 -49.4 4.4 -1.3 21.2 105 128 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.949 109.8 54.8 -62.6 -48.0 3.9 -4.2 18.9 106 129 A I H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.3 5,-0.2 0.930 109.3 47.2 -52.9 -48.1 0.2 -3.7 18.5 107 130 A Y H X S+ 0 0 88 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.867 111.4 52.6 -62.6 -33.3 0.7 -0.1 17.4 108 131 A G H X S+ 0 0 15 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.955 110.1 48.2 -64.9 -46.6 3.4 -1.3 15.0 109 132 A L H X S+ 0 0 0 -4,-3.1 4,-0.6 1,-0.2 3,-0.5 0.904 111.2 49.1 -59.2 -46.7 1.0 -3.9 13.6 110 133 A Q H >X S+ 0 0 30 -4,-2.7 3,-0.8 1,-0.2 4,-0.6 0.814 104.4 60.0 -66.4 -28.1 -1.8 -1.4 13.1 111 134 A Y H >X S+ 0 0 130 -4,-1.6 4,-3.2 1,-0.2 3,-1.0 0.850 92.5 66.7 -68.7 -31.0 0.5 1.0 11.4 112 135 A L H 3< S+ 0 0 13 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.811 102.4 47.9 -57.9 -30.3 1.2 -1.5 8.7 113 136 A F H << S+ 0 0 1 -3,-0.8 -65,-0.6 -4,-0.6 -1,-0.3 0.643 114.2 45.5 -85.0 -16.3 -2.4 -1.2 7.6 114 137 A L H << S+ 0 0 48 -3,-1.0 -67,-0.2 -4,-0.6 -2,-0.2 0.839 132.6 15.4 -91.0 -39.3 -2.3 2.6 7.6 115 138 A E S < S- 0 0 91 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.654 77.0-157.5-137.3 80.0 1.1 2.9 5.8 116 139 A P - 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