==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 26-DEC-11 4ADI . COMPND 2 MOLECULE: E1 ENVELOPE GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RUBELLA VIRUS; . AUTHOR R.M.DUBOIS,M.C.VANEY,M.A.TORTORICI,R.AL KURDI,G.BARBA-SPAETH . 1273 10 30 24 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 805 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 392 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.1 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 . 3 0.2 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 . 151 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 3 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 6 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 PARALLEL BRIDGES PER LADDER . 7 7 10 5 17 5 4 6 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 14 1 0 0 0 3 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 E 0 0 95 0, 0.0 2,-0.3 0, 0.0 322,-0.2 0.000 360.0 360.0 360.0 150.2 21.8 76.7 44.6 2 3 A A E -A 322 0A 32 320,-2.1 320,-2.7 1178,-0.1 2,-0.3 -0.933 360.0-160.9-136.0 157.0 24.8 78.3 46.5 3 4 A F E +A 321 0A 41 -2,-0.3 2,-0.3 318,-0.2 318,-0.2 -0.999 14.4 159.0-145.1 144.0 26.9 81.4 46.1 4 5 A T E -A 320 0A 41 316,-1.5 316,-3.1 -2,-0.3 2,-0.4 -0.981 34.1-120.1-156.6 151.0 30.3 82.8 47.2 5 6 A Y E -A 319 0A 111 -2,-0.3 2,-0.5 314,-0.2 314,-0.2 -0.813 22.4-158.6 -94.7 135.3 32.9 85.4 46.1 6 7 A L E -A 318 0A 0 312,-2.7 312,-2.8 -2,-0.4 6,-0.1 -0.964 14.2-134.7-114.8 118.6 36.4 84.3 45.2 7 8 A a - 0 0 9 -2,-0.5 309,-0.1 310,-0.2 15,-0.1 -0.241 9.6-134.9 -68.5 158.8 39.2 86.9 45.3 8 9 A T + 0 0 12 307,-0.6 -1,-0.1 1218,-0.2 1219,-0.1 0.323 68.0 102.1-100.4 5.3 41.7 86.9 42.4 9 10 A A S > S- 0 0 7 1217,-0.6 3,-2.1 1,-0.1 13,-0.2 -0.517 86.2 -83.5 -87.8 157.0 45.0 87.2 44.2 10 11 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.368 119.9 30.0 -59.5 134.4 47.6 84.3 44.9 11 12 A G T 3 S+ 0 0 63 11,-0.6 2,-0.2 1,-0.3 12,-0.1 0.168 85.9 139.5 99.4 -14.5 46.4 82.4 48.0 12 13 A a < + 0 0 1 -3,-2.1 10,-2.7 10,-0.1 -1,-0.3 -0.447 21.5 151.5 -66.9 130.3 42.7 83.2 47.4 13 14 A A E -D 21 0B 42 8,-0.2 2,-0.3 -2,-0.2 8,-0.2 -0.968 31.7-151.2-160.1 145.6 40.4 80.2 48.0 14 15 A T E -D 20 0B 17 6,-2.7 6,-1.3 -2,-0.3 -8,-0.1 -0.768 3.0-165.8-114.8 160.4 36.8 79.4 49.1 15 16 A Q + 0 0 137 -2,-0.3 -1,-0.1 4,-0.2 6,-0.0 0.693 45.8 104.8-118.4 -31.9 35.7 76.2 51.0 16 17 A T S S- 0 0 113 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 -0.892 90.9 -7.9-113.0 141.6 31.9 75.9 50.9 17 18 A P S S- 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 -0.976 144.8 -6.2 -78.6 -21.5 29.9 74.1 49.3 18 19 A V S S- 0 0 27 -2,-0.0 -2,-0.1 169,-0.0 2,-0.1 -0.993 86.4-106.4-132.7 131.9 32.9 72.8 47.3 19 20 A P - 0 0 59 0, 0.0 152,-2.3 0, 0.0 2,-0.4 -0.394 34.0-171.9 -67.7 136.7 36.4 74.3 47.6 20 21 A V E -DE 14 170B 1 -6,-1.3 -6,-2.7 150,-0.2 2,-0.4 -0.995 2.6-166.1-130.5 122.0 37.6 76.5 44.8 21 22 A R E -DE 13 169B 129 148,-2.2 148,-1.8 -2,-0.4 2,-0.9 -0.911 24.4-127.5-111.7 137.9 41.2 77.7 44.7 22 23 A L E + E 0 168B 8 -10,-2.7 -11,-0.6 -2,-0.4 146,-0.2 -0.763 31.9 176.7 -82.0 103.5 42.6 80.5 42.5 23 24 A A E - 0 0 52 144,-2.5 2,-0.3 -2,-0.9 145,-0.2 0.770 56.0 -44.8 -80.9 -30.1 45.6 78.6 40.9 24 25 A G E - E 0 167B 18 143,-1.4 143,-2.4 -3,-0.1 2,-0.4 -0.961 46.4-112.8 174.4 172.3 46.7 81.4 38.6 25 26 A V E + E 0 166B 45 -2,-0.3 141,-0.2 141,-0.2 2,-0.2 -0.997 40.7 149.5-131.1 124.3 45.8 84.1 36.1 26 27 A R E - E 0 165B 171 139,-2.5 139,-3.1 -2,-0.4 2,-0.3 -0.609 29.9-125.7-133.8-167.2 46.7 84.0 32.4 27 28 A F E - E 0 164B 53 137,-0.3 2,-0.3 -2,-0.2 137,-0.2 -0.996 4.7-151.1-150.5 155.0 45.2 85.2 29.1 28 29 A E E + E 0 163B 89 135,-2.6 135,-2.9 -2,-0.3 2,-0.3 -0.876 28.9 158.7-117.4 151.9 44.1 84.0 25.7 29 30 A S E - 0 0 12 -2,-0.3 2,-0.7 133,-0.2 132,-0.2 -0.973 47.1-108.4-162.1 171.2 44.2 86.3 22.6 30 31 A K E - E 0 160B 43 130,-2.9 130,-2.3 -2,-0.3 2,-0.2 -0.968 47.7-138.5-110.6 104.3 44.3 86.5 18.8 31 32 A I E - E 0 159B 32 -2,-0.7 314,-0.5 128,-0.2 2,-0.5 -0.471 19.7-168.3 -71.4 139.0 47.8 87.7 18.1 32 33 A V E - E 0 158B 11 126,-2.8 126,-3.4 312,-0.2 2,-0.7 -0.952 15.4-151.6-126.2 101.8 48.7 90.3 15.5 33 34 A D E - E 0 157B 20 310,-3.0 124,-0.2 -2,-0.5 309,-0.0 -0.725 14.6-176.9 -82.3 113.3 52.5 90.4 15.0 34 35 A G E - 0 0 0 122,-2.1 2,-0.4 -2,-0.7 123,-0.2 0.507 29.4-141.6 -85.1 -8.9 53.5 93.9 13.8 35 36 A G E - E 0 156B 2 121,-0.6 121,-2.3 202,-0.1 2,-0.3 -0.689 55.7 -1.1 86.1-133.3 57.2 92.9 13.4 36 37 A b E -FE 235 155B 12 199,-3.0 199,-3.1 -2,-0.4 2,-0.3 -0.783 58.0-177.8-101.5 140.4 59.9 95.5 14.4 37 38 A F E +FE 234 154B 0 117,-2.8 117,-3.0 -2,-0.3 197,-0.2 -0.967 7.6 163.9-133.3 146.7 59.3 99.0 15.9 38 39 A A E -F 233 0B 1 195,-1.5 195,-2.2 191,-0.6 115,-0.2 -0.983 39.6 -92.1-154.9 158.1 61.8 101.7 16.8 39 40 A P - 0 0 2 0, 0.0 2,-1.0 0, 0.0 110,-0.2 -0.341 44.1-105.1 -70.1 159.8 61.9 105.5 17.6 40 41 A W - 0 0 11 252,-0.1 2,-0.8 108,-0.1 252,-0.4 -0.798 44.6-168.1 -83.1 102.0 62.7 107.9 14.8 41 42 A D - 0 0 6 -2,-1.0 106,-2.2 106,-0.5 2,-0.5 -0.846 9.4-155.7-102.6 98.4 66.3 108.8 15.8 42 43 A L E -L 146 0C 16 -2,-0.8 2,-0.4 104,-0.2 104,-0.2 -0.601 18.2-176.7 -71.9 118.4 67.6 111.8 13.9 43 44 A E E -L 145 0C 44 102,-2.9 102,-1.9 -2,-0.5 2,-0.3 -0.956 1.3-174.5-120.2 139.8 71.5 111.5 13.9 44 45 A A E +L 144 0C 17 -2,-0.4 2,-0.3 100,-0.2 100,-0.2 -0.978 11.9 158.9-138.8 149.6 73.9 114.0 12.4 45 46 A T E +L 143 0C 5 98,-2.6 98,-2.6 -2,-0.3 2,-0.3 -0.854 10.6 136.6-147.5-178.2 77.6 114.5 11.7 46 47 A G E -L 142 0C 0 -2,-0.3 2,-0.3 96,-0.2 96,-0.2 -0.980 33.7-111.9 162.9-163.7 79.8 116.6 9.5 47 48 A A E -L 141 0C 2 94,-2.0 94,-2.8 -2,-0.3 2,-0.5 -0.965 12.2-129.7-162.2 149.8 83.0 118.6 9.4 48 49 A c E -L 140 0C 5 235,-0.5 235,-0.5 -2,-0.3 2,-0.4 -0.889 38.1-164.5 -98.2 127.1 84.3 122.1 9.1 49 50 A I E -L 139 0C 0 90,-3.0 90,-3.1 -2,-0.5 2,-1.3 -0.979 26.9-154.7-127.1 124.4 87.0 121.9 6.4 50 51 A d S S+ 0 0 11 -2,-0.4 2,-0.3 231,-0.4 88,-0.2 -0.438 81.7 55.0 -93.1 61.4 89.7 124.5 5.5 51 52 A E S S- 0 0 64 -2,-1.3 -2,-0.1 88,-0.1 36,-0.1 -0.928 88.6-108.8-172.3 169.8 89.9 123.1 1.9 52 53 A I - 0 0 0 -2,-0.3 -2,-0.1 86,-0.1 33,-0.1 -0.848 41.9-148.8-115.7 85.6 87.6 122.5 -1.1 53 54 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 8,-0.1 -0.249 9.5-151.8 -57.8 147.7 87.4 118.6 -1.1 54 55 A T S S+ 0 0 67 1,-0.2 2,-0.4 6,-0.2 7,-0.1 0.428 83.6 53.8 -99.0 -6.4 87.0 116.9 -4.5 55 56 A D - 0 0 74 5,-0.3 2,-1.3 2,-0.1 -1,-0.2 -0.848 65.1-166.0-135.8 97.7 85.1 113.8 -3.2 56 57 A V + 0 0 1 -2,-0.4 59,-0.4 57,-0.3 60,-0.4 -0.699 54.0 96.3 -87.9 87.0 82.0 114.5 -1.0 57 58 A S S > S- 0 0 28 -2,-1.3 4,-1.9 57,-0.1 5,-0.1 -0.915 90.5 -92.2-159.1 167.5 81.5 111.0 0.5 58 59 A e T 4 S+ 0 0 32 -2,-0.3 7,-0.2 2,-0.2 3,-0.1 0.924 128.4 41.4 -57.4 -44.9 82.5 109.3 3.8 59 60 A E T >4 S+ 0 0 186 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.914 114.7 50.9 -67.8 -44.3 85.8 107.9 2.2 60 61 A G T 34 S+ 0 0 25 1,-0.3 -5,-0.3 2,-0.1 3,-0.2 0.739 116.2 41.6 -65.1 -26.4 86.5 111.2 0.3 61 62 A L T >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-2.3 0.180 78.2 119.0-107.1 15.4 86.1 113.3 3.5 62 63 A G T <4 + 0 0 44 -3,-1.3 5,-0.2 1,-0.3 -1,-0.2 0.691 66.1 64.5 -53.2 -28.0 87.9 110.8 5.8 63 64 A A T 34 S+ 0 0 60 -3,-0.2 -1,-0.3 -4,-0.2 1219,-0.2 0.641 123.5 12.9 -72.0 -16.3 90.6 113.4 6.7 64 65 A W T <4 S+ 0 0 70 -3,-2.3 -2,-0.2 1,-0.1 -16,-0.2 0.674 107.8 78.0-128.1 -41.8 87.9 115.5 8.5 65 66 A V S < S- 0 0 5 -4,-2.8 -18,-0.1 -7,-0.2 -1,-0.1 -0.685 88.7-101.8 -83.7 131.1 84.5 113.7 9.1 66 67 A P > - 0 0 46 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.302 33.4-139.9 -54.2 123.9 84.3 111.2 12.0 67 68 A T H > S+ 0 0 116 2,-0.2 4,-2.2 -5,-0.2 5,-0.2 0.913 91.7 38.8 -51.6 -66.4 84.6 107.7 10.4 68 69 A A H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 117.7 48.7 -60.9 -48.3 82.1 105.5 12.4 69 70 A P H > S+ 0 0 36 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.905 112.1 50.6 -60.0 -39.3 79.3 108.3 12.6 70 71 A e H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.951 112.7 44.7 -60.1 -53.0 79.7 109.0 8.8 71 72 A A H X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.903 117.2 45.5 -57.9 -45.5 79.3 105.3 7.8 72 73 A R H < S+ 0 0 114 -4,-2.4 3,-0.2 2,-0.2 -1,-0.2 0.916 116.6 43.4 -64.6 -48.7 76.4 104.7 10.2 73 74 A I H >< S+ 0 0 3 -4,-2.7 3,-1.5 -5,-0.2 -2,-0.2 0.871 108.5 59.0 -68.3 -36.1 74.5 107.9 9.3 74 75 A W H 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.848 106.6 49.1 -58.8 -36.1 75.1 107.4 5.5 75 76 A N T 3< S+ 0 0 144 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.396 94.7 110.0 -84.2 -1.0 73.3 104.0 5.8 76 77 A G S X S- 0 0 18 -3,-1.5 3,-0.6 -4,-0.1 2,-0.3 -0.095 77.7 -87.2 -73.5 171.8 70.3 105.6 7.6 77 78 A T E 3 S+M 146 0C 29 69,-2.7 69,-3.1 1,-0.2 -1,-0.1 -0.611 105.4 6.5 -81.1 139.1 66.7 106.2 6.5 78 79 A Q E 3 S- 0 0 17 -2,-0.3 -1,-0.2 67,-0.2 66,-0.0 0.899 87.6-159.9 56.0 48.3 65.9 109.5 4.5 79 80 A R E < - 0 0 26 -3,-0.6 2,-0.4 -5,-0.1 66,-0.2 -0.318 13.4-174.5 -61.4 137.8 69.5 110.6 4.3 80 81 A A E +M 144 0C 14 64,-3.0 64,-2.9 168,-0.0 2,-0.3 -0.992 6.2 171.7-131.7 138.3 70.3 114.3 3.7 81 82 A f E -M 143 0C 7 -2,-0.4 36,-2.8 62,-0.2 2,-0.4 -0.984 8.2-171.9-149.4 138.5 73.8 115.7 3.1 82 83 A T E -Mn 142 117C 10 60,-2.1 60,-2.2 -2,-0.3 2,-0.5 -0.998 10.8-160.2-133.5 139.2 75.0 119.2 2.0 83 84 A F E -Mn 141 118C 0 34,-2.4 36,-2.5 -2,-0.4 2,-0.4 -0.987 16.9-165.0-117.1 115.7 78.5 120.5 1.1 84 85 A W E -Mn 140 119C 22 56,-3.1 56,-2.1 -2,-0.5 2,-0.8 -0.913 14.8-145.0-106.0 132.9 78.8 124.3 1.3 85 86 A A E +Mn 139 120C 0 34,-2.0 36,-2.7 -2,-0.4 54,-0.2 -0.851 23.4 171.9 -95.4 108.8 81.6 126.3 -0.2 86 87 A V E S+ 0 0 6 52,-1.8 37,-0.4 -2,-0.8 2,-0.3 0.885 77.5 2.4 -82.2 -46.4 82.3 129.2 2.2 87 88 A N E S-M 138 0C 46 51,-2.5 51,-2.8 -36,-0.1 -1,-0.3 -0.911 81.5-161.6-145.9 109.3 85.4 130.5 0.6 88 89 A A - 0 0 5 -2,-0.3 9,-0.2 -3,-0.2 2,-0.1 -0.139 38.5 -63.8 -84.0-178.5 86.5 128.8 -2.6 89 90 A Y B -o 97 0D 53 7,-2.4 9,-0.7 1,-0.1 -1,-0.2 -0.478 34.6-153.4 -66.7 137.1 89.9 128.7 -4.5 90 91 A S S S- 0 0 82 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.785 78.0 -5.3 -80.7 -28.4 90.9 132.2 -5.7 91 92 A S S S+ 0 0 88 5,-0.1 -1,-0.3 6,-0.0 0, 0.0 -0.957 111.5 13.4-156.9 165.2 93.1 130.6 -8.5 92 93 A G + 0 0 57 -2,-0.3 4,-0.4 1,-0.1 5,-0.1 -0.225 68.9 106.1 64.2-150.7 94.3 127.2 -9.8 93 94 A G S S- 0 0 54 1,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.154 77.2 -78.6 71.7-169.2 92.8 123.9 -8.5 94 95 A Y S S- 0 0 138 1,-0.0 -1,-0.1 3,-0.0 17,-0.0 -0.915 100.5 -28.9-137.6 102.5 90.4 121.6 -10.4 95 96 A A S S+ 0 0 6 -2,-0.4 -2,-0.1 -3,-0.1 16,-0.1 0.882 108.4 116.1 52.3 44.4 86.7 122.8 -10.5 96 97 A Q + 0 0 16 -4,-0.4 -7,-2.4 -8,-0.0 -3,-0.1 0.371 37.1 109.4-120.1 -0.9 87.4 124.5 -7.1 97 98 A L B > S-o 89 0D 55 -9,-0.2 3,-1.7 -5,-0.1 4,-0.3 -0.315 84.4-105.3 -72.7 162.5 86.9 128.2 -8.0 98 99 A A G > S+ 0 0 47 -9,-0.7 3,-1.8 1,-0.3 -1,-0.1 0.821 117.9 67.5 -57.1 -33.9 83.8 130.2 -6.7 99 100 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.660 90.7 62.1 -62.1 -20.3 82.3 130.0 -10.2 100 101 A Y G < S+ 0 0 67 -3,-1.7 8,-1.7 1,-0.2 2,-0.7 0.628 90.8 73.0 -80.9 -12.6 81.9 126.1 -9.8 101 102 A F < + 0 0 5 -3,-1.8 -1,-0.2 -4,-0.3 3,-0.1 -0.496 62.1 152.9-103.2 62.1 79.5 126.8 -6.9 102 103 A N > - 0 0 33 -2,-0.7 3,-2.9 -3,-0.2 6,-0.1 -0.402 67.9 -65.8 -75.2 162.7 76.4 128.0 -8.7 103 104 A P T 3 S+ 0 0 70 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 -0.357 133.8 17.8 -55.9 128.9 73.1 127.3 -6.8 104 105 A G T 3 S- 0 0 32 14,-0.3 14,-0.5 1,-0.2 15,-0.2 0.219 108.8-115.4 90.3 -12.1 72.8 123.5 -6.7 105 106 A G <> + 0 0 0 -3,-2.9 4,-2.6 12,-0.1 -1,-0.2 0.703 61.3 152.5 54.2 32.8 76.5 123.2 -7.6 106 107 A S H > S+ 0 0 12 -3,-0.4 4,-1.5 1,-0.2 445,-0.1 0.851 71.3 54.9 -57.1 -38.4 76.0 121.5 -11.0 107 108 A Y H > S+ 0 0 88 -7,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.912 112.7 41.6 -63.2 -43.7 79.4 122.9 -12.3 108 109 A Y H >> S+ 0 0 0 -8,-1.7 4,-2.8 1,-0.2 3,-0.9 0.924 114.1 52.9 -66.0 -48.2 81.3 121.4 -9.3 109 110 A K H 3< S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.722 96.7 67.3 -61.8 -26.1 79.3 118.1 -9.5 110 111 A Q H 3< S+ 0 0 112 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 119.3 21.9 -61.7 -38.9 80.1 117.8 -13.3 111 112 A Y H << S+ 0 0 103 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.706 134.9 38.9 -99.9 -28.0 83.8 117.2 -12.3 112 113 A H S < S- 0 0 11 -4,-2.8 -56,-0.2 -5,-0.1 -1,-0.2 -0.683 81.6-158.7-125.2 75.2 83.4 116.1 -8.7 113 114 A P + 0 0 71 0, 0.0 -57,-0.3 0, 0.0 2,-0.3 -0.197 19.1 164.8 -58.9 145.7 80.3 113.8 -8.5 114 115 A T - 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