==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-08 3CL4 . COMPND 2 MOLECULE: HEMAGGLUTININ-ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOVINE CORONAVIRUS; . AUTHOR Q.H.ZENG,M.A.LANGEREIS,A.L.W.VAN VLIET,E.G.HUIZINGA,R.J.DE G . 358 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 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 PARALLEL BRIDGES PER LADDER . 1 7 4 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 1 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 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 19 A F 0 0 166 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 -27.1 53.1 19.4 2 20 A D + 0 0 114 2,-0.1 340,-0.1 340,-0.0 339,-0.0 -0.998 360.0 173.0-138.4 128.6 -24.5 50.4 20.0 3 21 A N + 0 0 7 -2,-0.4 340,-0.4 334,-0.1 3,-0.0 -0.613 24.1 166.3-130.9 68.1 -20.7 50.6 19.5 4 22 A P - 0 0 49 0, 0.0 333,-0.5 0, 0.0 2,-0.4 -0.451 47.2 -94.9 -80.9 161.5 -19.5 47.3 20.9 5 23 A P E -A 336 0A 42 0, 0.0 2,-0.4 0, 0.0 331,-0.2 -0.645 48.2-147.5 -69.9 128.1 -16.0 45.9 20.4 6 24 A T E -A 335 0A 34 329,-2.7 329,-3.1 -2,-0.4 2,-1.8 -0.804 15.2-121.1-107.6 143.7 -16.3 43.5 17.5 7 25 A N S S+ 0 0 71 -2,-0.4 2,-0.3 327,-0.2 315,-0.1 -0.518 71.7 107.3 -81.4 70.2 -14.4 40.3 16.9 8 26 A V - 0 0 7 -2,-1.8 2,-0.4 312,-0.1 312,-0.2 -0.946 66.7-122.9-137.9 159.6 -12.8 41.1 13.6 9 27 A V + 0 0 0 310,-2.4 2,-0.2 -2,-0.3 313,-0.1 -0.886 49.8 146.9 -95.0 137.6 -9.5 42.0 12.0 10 28 A S - 0 0 0 -2,-0.4 2,-0.3 313,-0.1 313,-0.2 -0.738 37.4-112.2-149.1-162.4 -9.8 45.3 10.2 11 29 A H B -d 326 0B 11 314,-0.7 316,-2.4 311,-0.4 5,-0.1 -0.995 11.5-138.1-152.9 141.0 -7.8 48.5 9.2 12 30 A L S S- 0 0 31 -2,-0.3 2,-0.2 314,-0.2 -1,-0.1 0.884 91.7 -19.4 -64.6 -41.8 -7.9 52.2 10.0 13 31 A N S S- 0 0 70 2,-0.1 314,-0.1 313,-0.1 65,-0.1 -0.650 93.3 -65.9-145.6-158.2 -7.3 53.0 6.4 14 32 A G S S+ 0 0 36 -2,-0.2 2,-1.8 1,-0.1 -2,-0.0 0.529 99.8 99.4 -79.5 -5.5 -6.1 51.3 3.2 15 33 A D + 0 0 54 61,-0.1 63,-2.0 2,-0.0 62,-0.3 -0.553 59.3 107.6 -89.8 75.9 -2.6 50.9 4.5 16 34 A W E -e 78 0C 8 -2,-1.8 2,-0.3 61,-0.2 63,-0.2 -0.952 45.4-158.3-145.5 164.6 -2.6 47.3 5.6 17 35 A F E -e 79 0C 15 61,-2.0 63,-3.0 -2,-0.3 2,-0.4 -0.990 6.3-149.8-151.7 138.5 -1.3 43.9 4.8 18 36 A L E -ef 80 52C 0 33,-2.8 35,-2.3 -2,-0.3 2,-0.4 -0.942 1.6-161.9-116.2 134.1 -2.2 40.3 5.5 19 37 A F E +ef 81 53C 0 61,-2.5 63,-2.8 -2,-0.4 35,-0.2 -0.921 34.8 137.6-110.9 130.1 0.0 37.3 5.7 20 38 A G E -ef 82 54C 0 33,-2.2 35,-1.1 -2,-0.4 63,-0.2 -0.691 42.3-114.6-152.6-165.2 -1.7 33.9 5.4 21 39 A D E > - f 0 55C 1 61,-0.7 3,-2.3 33,-0.3 35,-0.4 -0.410 68.9 -49.6-132.3-153.4 -2.2 30.4 4.3 22 40 A S G > S+ 0 0 8 33,-0.5 3,-1.8 1,-0.3 34,-0.2 0.894 126.2 68.8 -62.8 -28.8 -4.6 28.5 2.1 23 41 A R G 3 S+ 0 0 2 1,-0.3 18,-2.6 17,-0.2 19,-2.2 0.549 117.7 23.8 -68.9 -6.4 -7.6 30.1 4.0 24 42 A S G < S+ 0 0 0 -3,-2.3 2,-1.0 16,-0.2 -1,-0.3 0.133 93.1 117.7-138.3 17.6 -6.6 33.4 2.4 25 43 A D X - 0 0 2 -3,-1.8 3,-1.6 -4,-0.3 4,-0.3 -0.765 37.7-175.9 -94.3 97.2 -4.7 32.2 -0.7 26 44 A a G > S+ 0 0 20 -2,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.738 80.6 61.9 -63.0 -23.7 -6.5 33.5 -3.7 27 45 A N G > S+ 0 0 112 1,-0.2 3,-1.2 27,-0.2 -1,-0.3 0.647 85.2 74.9 -79.0 -15.5 -4.2 31.6 -6.0 28 46 A H G X S+ 0 0 48 -3,-1.6 3,-2.6 1,-0.2 -1,-0.2 0.748 74.2 81.7 -69.3 -20.9 -5.1 28.2 -4.7 29 47 A V G X S+ 0 0 5 -3,-0.8 3,-1.7 -4,-0.3 7,-0.3 0.793 80.9 64.8 -57.7 -26.1 -8.4 28.3 -6.5 30 48 A V G < S+ 0 0 77 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.701 98.5 55.2 -76.3 -12.8 -6.7 27.2 -9.7 31 49 A N G < S+ 0 0 115 -3,-2.6 2,-0.4 -4,-0.2 -1,-0.3 0.129 92.2 89.4-106.2 19.3 -5.9 23.9 -7.9 32 50 A T S < S- 0 0 5 -3,-1.7 5,-0.0 -4,-0.0 0, 0.0 -0.962 74.0-133.6-113.6 135.1 -9.6 23.3 -7.2 33 51 A N S S+ 0 0 161 -2,-0.4 2,-0.2 1,-0.2 -3,-0.0 -0.959 98.4 25.1-139.7 114.8 -11.7 21.5 -9.6 34 52 A P S S- 0 0 102 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.611 117.5-102.5 -68.7 170.1 -14.2 22.6 -10.2 35 53 A R + 0 0 168 -2,-0.2 2,-0.3 -5,-0.1 -2,-0.1 -0.393 53.3 168.2 -63.0 122.8 -13.0 26.0 -9.3 36 54 A N > - 0 0 69 -7,-0.3 3,-0.6 -2,-0.2 -3,-0.0 -0.958 31.2-166.6-145.5 123.7 -14.3 26.9 -5.9 37 55 A Y G > + 0 0 109 -2,-0.3 3,-1.8 1,-0.2 270,-0.1 0.441 68.3 98.5 -84.1 0.6 -13.4 29.8 -3.5 38 56 A S G 3 + 0 0 39 1,-0.3 269,-0.5 268,-0.1 268,-0.3 0.577 63.0 77.9 -73.9 -7.8 -15.1 28.3 -0.5 39 57 A Y G < S+ 0 0 2 -3,-0.6 273,-0.4 268,-0.1 -1,-0.3 0.625 85.9 85.3 -73.4 -10.1 -11.8 26.9 0.9 40 58 A M < - 0 0 10 -3,-1.8 -16,-0.2 271,-0.2 -17,-0.2 -0.662 57.7-165.8 -98.3 143.6 -11.1 30.5 2.0 41 59 A D S S+ 0 0 1 -18,-2.6 -17,-0.2 -2,-0.3 2,-0.1 0.680 77.9 86.9 -90.4 -26.3 -12.1 32.4 5.2 42 60 A L S S- 0 0 3 -19,-2.2 -2,-0.1 1,-0.1 279,-0.1 -0.445 92.8-110.8 -68.6 142.7 -11.0 35.5 3.3 43 61 A N > - 0 0 72 277,-0.2 3,-2.7 1,-0.1 4,-0.1 -0.672 20.0-138.6 -75.1 124.5 -13.6 37.1 1.2 44 62 A P G > S+ 0 0 48 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.654 96.0 81.0 -62.4 -11.8 -12.6 36.7 -2.5 45 63 A A G 3 S+ 0 0 79 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.690 89.3 56.7 -61.5 -19.0 -13.6 40.2 -3.2 46 64 A L G X S+ 0 0 21 -3,-2.7 3,-1.7 1,-0.2 5,-0.4 0.391 76.8 100.9 -90.3 3.0 -10.2 41.1 -1.7 47 65 A a T < S+ 0 0 47 -3,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.736 82.3 46.0 -66.5 -18.4 -8.4 38.9 -4.2 48 66 A D T 3 S+ 0 0 160 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.171 85.3 98.8-104.2 16.3 -7.3 41.8 -6.4 49 67 A S S < S- 0 0 41 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.796 77.1-137.2 -81.7 -26.8 -6.1 44.1 -3.5 50 68 A G S S+ 0 0 68 -4,-0.3 -3,-0.1 -3,-0.3 -1,-0.1 0.657 79.3 105.6 73.2 17.8 -2.4 43.5 -3.7 51 69 A K + 0 0 60 -5,-0.4 -33,-2.8 -34,-0.1 2,-0.4 0.192 59.0 77.4-115.8 14.1 -2.6 43.3 0.2 52 70 A I E -f 18 0C 36 -35,-0.2 2,-0.4 -5,-0.1 -33,-0.2 -0.994 44.1-177.8-131.4 137.3 -2.2 39.6 0.8 53 71 A S E +f 19 0C 8 -35,-2.3 -33,-2.2 -2,-0.4 2,-0.3 -0.929 33.4 144.6-130.3 102.0 0.7 37.2 0.8 54 72 A S E -f 20 0C 5 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.3 -0.983 28.3-165.9-141.0 149.1 -0.6 33.7 1.5 55 73 A K E > -f 21 0C 82 -35,-1.1 3,-2.3 -2,-0.3 -33,-0.5 -0.953 27.3-117.8-145.2 123.9 0.2 30.2 0.4 56 74 A A T 3 S+ 0 0 23 -35,-0.4 3,-0.1 -2,-0.4 -35,-0.0 -0.265 101.9 16.0 -54.6 134.0 -1.8 27.0 0.8 57 75 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.412 112.1 96.9 86.9 -6.3 0.1 24.5 2.9 58 76 A N < - 0 0 3 -3,-2.3 26,-0.4 -38,-0.1 28,-0.3 -0.670 44.9-173.9-119.4 171.1 2.5 27.1 4.3 59 77 A S > - 0 0 0 -2,-0.2 4,-3.0 27,-0.2 5,-0.3 -0.971 41.7-107.7-153.7 157.0 3.3 29.4 7.2 60 78 A I H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.921 122.0 46.3 -55.3 -40.7 5.9 32.0 8.0 61 79 A F H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.900 111.9 51.1 -71.2 -42.5 7.6 29.6 10.5 62 80 A R H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.947 112.8 45.4 -57.8 -49.6 7.5 26.7 8.1 63 81 A S H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.4 56.8 -64.4 -30.8 9.0 28.8 5.3 64 82 A F H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.897 121.0 24.6 -68.8 -37.4 11.7 30.2 7.7 65 83 A H H < S+ 0 0 0 -4,-1.8 87,-3.3 -3,-0.2 88,-1.7 0.712 113.2 59.4-103.2 -26.6 13.0 26.8 8.7 66 84 A F B < S-I 151 0D 0 -4,-2.3 85,-0.2 85,-0.3 83,-0.1 -0.661 75.2-117.1-119.6 163.9 12.2 24.3 5.9 67 85 A T S S+ 0 0 79 83,-2.3 2,-2.0 -2,-0.2 84,-0.1 0.729 98.6 87.9 -67.8 -22.5 12.8 23.5 2.2 68 86 A D S S+ 0 0 64 82,-0.2 2,-0.4 -6,-0.2 -2,-0.2 -0.564 75.5 174.7 -79.2 81.4 9.0 23.8 1.8 69 87 A F + 0 0 83 -2,-2.0 2,-0.4 -11,-0.1 -6,-0.1 -0.770 31.9 178.3-108.1 135.6 9.4 27.5 1.2 70 88 A Y - 0 0 66 -2,-0.4 2,-2.4 -11,-0.2 -7,-0.1 -0.998 32.5-128.9-130.0 129.5 7.2 30.4 0.2 71 89 A N - 0 0 70 -2,-0.4 56,-0.1 55,-0.0 -11,-0.0 -0.363 26.8-159.7 -81.3 68.3 8.6 33.9 -0.1 72 90 A Y + 0 0 0 -2,-2.4 2,-0.4 54,-0.1 55,-0.3 -0.172 19.2 175.6 -46.5 127.4 6.1 35.7 2.1 73 91 A T + 0 0 65 53,-0.2 2,-0.3 2,-0.0 53,-0.2 -0.952 8.2 130.3-149.3 122.7 6.3 39.3 1.1 74 92 A G E -J 125 0E 8 51,-3.3 51,-3.3 -2,-0.4 2,-0.3 -0.988 30.7-149.6-171.7 162.7 4.4 42.4 2.1 75 93 A E E +J 124 0E 69 -2,-0.3 2,-0.3 49,-0.3 49,-0.2 -0.999 30.4 132.8-141.6 132.8 4.3 46.0 3.3 76 94 A G - 0 0 0 47,-2.0 -60,-0.2 -2,-0.3 3,-0.1 -0.949 53.7-124.5-173.3 153.1 1.8 47.9 5.4 77 95 A Q S S+ 0 0 39 -62,-0.3 2,-0.6 -2,-0.3 -61,-0.2 0.982 109.7 39.8 -65.8 -58.5 1.2 50.2 8.3 78 96 A Q E S-e 16 0C 1 -63,-2.0 -61,-2.0 -3,-0.1 2,-0.4 -0.854 82.5-159.7 -94.5 123.3 -1.1 47.7 9.9 79 97 A I E -e 17 0C 0 -2,-0.6 190,-2.5 187,-0.3 2,-0.4 -0.837 5.6-167.7-104.5 134.7 -0.0 44.1 9.6 80 98 A I E -eg 18 269C 0 -63,-3.0 -61,-2.5 -2,-0.4 2,-0.4 -0.971 2.3-160.5-123.2 140.7 -2.4 41.2 10.0 81 99 A F E +eg 19 270C 0 188,-2.8 190,-2.9 -2,-0.4 -61,-0.2 -0.982 20.9 164.2-124.1 134.8 -1.6 37.6 10.3 82 100 A Y E +e 20 0C 0 -63,-2.8 -61,-0.7 -2,-0.4 2,-0.3 -0.564 52.4 86.1-144.1 69.6 -3.7 34.5 9.7 83 101 A E + 0 0 1 188,-0.3 190,-0.2 -63,-0.2 -24,-0.1 -0.971 26.2 99.1-158.6 166.7 -1.3 31.6 9.6 84 102 A G > + 0 0 0 -26,-0.4 3,-1.6 -2,-0.3 -25,-0.1 -0.045 57.9 100.7 140.4 -29.8 0.6 29.2 11.7 85 103 A V T 3 + 0 0 2 1,-0.3 3,-0.2 -27,-0.1 -26,-0.1 0.775 68.3 74.9 -58.4 -28.6 -1.5 26.0 11.4 86 104 A N T 3 S+ 0 0 16 -28,-0.3 -1,-0.3 1,-0.3 -27,-0.2 0.316 99.9 45.9 -79.7 15.8 0.8 24.5 8.9 87 105 A F S < S+ 0 0 0 -3,-1.6 -1,-0.3 -29,-0.1 -26,-0.1 -0.643 85.1 129.0-149.0 97.0 3.3 23.8 11.6 88 106 A T S > S- 0 0 0 -3,-0.2 3,-1.5 -2,-0.2 5,-0.5 -0.731 75.8 -87.6-136.5 172.9 1.4 22.3 14.5 89 107 A P G > S+ 0 0 15 0, 0.0 3,-2.1 0, 0.0 192,-0.2 0.872 120.4 72.0 -58.4 -30.6 1.6 19.3 16.9 90 108 A Y G 3 S+ 0 0 108 190,-1.9 191,-0.1 1,-0.3 -4,-0.0 0.814 90.9 55.7 -46.9 -38.4 -0.3 17.5 14.2 91 109 A H G < S- 0 0 46 -3,-1.5 -1,-0.3 189,-0.2 58,-0.1 0.695 94.7-150.8 -75.3 -16.8 2.7 17.5 12.0 92 110 A A < - 0 0 53 -3,-2.1 -2,-0.1 -4,-0.5 2,-0.1 0.785 24.3-176.2 50.5 35.8 4.6 15.8 14.8 93 111 A F + 0 0 0 -5,-0.5 2,-0.3 8,-0.1 11,-0.3 -0.341 15.5 154.0 -65.7 135.2 7.9 17.3 13.7 94 112 A K - 0 0 66 -2,-0.1 51,-0.1 5,-0.1 7,-0.1 -0.956 50.6-120.2-152.7 151.9 11.1 16.4 15.5 95 113 A b S S+ 0 0 3 -2,-0.3 50,-1.8 5,-0.2 2,-0.3 0.857 98.0 8.3 -65.4 -32.0 14.6 16.4 14.2 96 114 A T S > S- 0 0 48 48,-0.2 3,-2.1 -3,-0.1 -1,-0.1 -0.901 86.5 -97.8-142.2 171.6 14.9 12.7 14.8 97 115 A T T 3 S+ 0 0 140 1,-0.3 -2,-0.0 -2,-0.3 49,-0.0 0.717 123.4 49.5 -69.9 -20.8 12.6 9.9 15.8 98 116 A S T 3 S+ 0 0 64 2,-0.1 128,-1.5 129,-0.0 -1,-0.3 0.280 97.0 102.8 -97.1 10.4 13.7 10.2 19.5 99 117 A G < - 0 0 8 -3,-2.1 2,-0.4 127,-0.2 129,-0.2 0.229 69.5-105.6 -81.6-158.0 13.1 14.0 19.6 100 118 A S > - 0 0 22 1,-0.1 4,-0.9 127,-0.1 3,-0.5 -0.976 9.5-162.8-142.7 122.7 10.4 16.2 21.0 101 119 A N H > S+ 0 0 22 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.788 94.4 68.7 -72.8 -23.2 7.7 18.2 19.3 102 120 A D H > S+ 0 0 125 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.853 96.4 52.9 -63.6 -36.3 7.4 20.2 22.4 103 121 A I H > S+ 0 0 29 -3,-0.5 4,-2.3 2,-0.2 128,-0.3 0.890 109.4 49.1 -61.0 -40.7 10.8 21.7 21.6 104 122 A W H X S+ 0 0 0 -4,-0.9 4,-2.0 -11,-0.3 -2,-0.2 0.817 108.9 52.2 -73.7 -30.1 9.5 22.6 18.2 105 123 A M H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.864 108.4 51.1 -69.3 -37.4 6.4 24.2 19.7 106 124 A Q H X S+ 0 0 102 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.942 110.0 50.2 -65.6 -42.8 8.6 26.3 22.0 107 125 A N H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.921 107.5 53.8 -57.4 -47.8 10.6 27.4 18.9 108 126 A K H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.916 108.8 49.0 -56.6 -43.9 7.4 28.3 17.2 109 127 A G H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.930 111.6 47.8 -62.9 -46.1 6.4 30.5 20.1 110 128 A L H X S+ 0 0 72 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.871 111.7 51.6 -63.5 -38.1 9.8 32.3 20.2 111 129 A F H >X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 3,-0.5 0.969 110.4 45.0 -61.6 -56.0 9.8 32.9 16.5 112 130 A Y H 3X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.3 5,-0.3 0.840 105.8 63.5 -66.4 -27.7 6.4 34.5 16.2 113 131 A T H 3X S+ 0 0 29 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.938 107.6 42.1 -56.9 -46.2 7.1 36.6 19.3 114 132 A Q H X S+ 0 0 18 -4,-2.2 3,-1.5 1,-0.2 4,-1.1 0.838 105.1 58.5 -79.6 -30.2 9.0 43.7 15.0 119 137 A M H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -40,-0.2 0.612 95.7 67.5 -78.1 -1.5 6.1 44.1 12.5 120 138 A A T 3< S+ 0 0 0 -4,-0.6 146,-2.9 -3,-0.5 -1,-0.3 0.660 114.0 29.9 -80.3 -15.7 4.6 46.6 15.0 121 139 A V T <4 S+ 0 0 16 -3,-1.5 142,-2.7 -4,-0.2 2,-0.3 0.420 115.0 59.2-128.8 -2.0 7.6 48.8 14.1 122 140 A Y E < - 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