==== 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 VIRAL PROTEIN 19-OCT-06 2J85 . COMPND 2 MOLECULE: STIV B116; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TURRETED ICOSAHEDRAL VIRUS; . AUTHOR E.T.LARSON,D.REITER,M.J.YOUNG,C.M.LAWRENCE . 233 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 14.6 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 . 0 0.0 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-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 . 25 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 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 . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 G 0 0 80 0, 0.0 77,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-163.8 44.9 55.3 20.4 2 3 A K - 0 0 74 42,-0.0 77,-2.1 1,-0.0 2,-0.4 -0.410 360.0-148.5 -81.5 156.6 47.4 52.5 19.9 3 4 A V E -ab 44 79A 3 40,-2.2 42,-2.8 75,-0.2 2,-0.4 -0.917 14.2-153.4-126.3 105.5 46.7 49.2 18.2 4 5 A F E -ab 45 80A 7 75,-2.6 77,-3.0 -2,-0.4 2,-0.7 -0.631 4.1-149.3 -81.7 129.4 48.9 46.3 19.6 5 6 A L E +ab 46 81A 0 40,-2.6 42,-2.4 -2,-0.4 2,-0.3 -0.890 33.6 164.9 -93.9 118.0 49.6 43.4 17.3 6 7 A T E - b 0 82A 4 75,-2.1 77,-2.5 -2,-0.7 42,-0.2 -0.926 47.5-146.0-135.5 155.4 50.0 40.3 19.6 7 8 A N S S+ 0 0 57 40,-0.3 78,-0.4 -2,-0.3 2,-0.3 0.228 90.0 36.5-100.0 10.5 50.0 36.5 19.4 8 9 A A - 0 0 35 76,-0.1 2,-0.4 2,-0.0 75,-0.1 -0.985 65.7-140.7-152.3 155.7 48.3 36.3 22.8 9 10 A F + 0 0 12 -2,-0.3 2,-0.3 118,-0.1 120,-0.3 -0.997 29.4 168.6-119.8 133.5 45.7 37.9 25.0 10 11 A S > - 0 0 30 -2,-0.4 3,-2.2 118,-0.1 4,-0.1 -0.992 47.4-125.6-141.9 142.7 46.3 38.2 28.7 11 12 A I G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.754 109.5 72.6 -49.5 -31.9 44.7 40.1 31.6 12 13 A N G 3 S+ 0 0 90 1,-0.3 -1,-0.3 61,-0.0 -3,-0.0 0.651 84.5 66.5 -59.4 -17.7 48.3 41.4 32.2 13 14 A X G < S+ 0 0 25 -3,-2.2 61,-3.6 60,-0.1 2,-0.6 0.511 81.2 93.0 -81.3 -2.8 47.8 43.6 29.1 14 15 A L B < -j 74 0B 3 -3,-1.8 61,-0.1 59,-0.2 3,-0.0 -0.812 62.2-158.9 -99.1 116.9 45.1 45.6 30.9 15 16 A K + 0 0 95 59,-1.9 2,-0.3 -2,-0.6 -1,-0.2 0.883 69.7 16.6 -60.5 -41.4 46.6 48.7 32.6 16 17 A E S S- 0 0 139 58,-0.4 -1,-0.1 2,-0.0 58,-0.0 -0.935 76.1 -94.8-143.0 160.3 43.7 49.1 35.1 17 18 A F S S+ 0 0 47 -2,-0.3 125,-0.2 1,-0.1 2,-0.1 -0.952 87.8 32.5-137.6 146.8 40.6 47.5 36.8 18 19 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 124,-0.2 0.561 80.6 159.4 -71.9 151.0 37.8 47.3 36.6 19 20 A T E -C 141 0A 6 122,-2.1 122,-2.5 -2,-0.1 2,-0.5 -0.973 30.6-146.5-136.8 160.2 37.7 47.4 32.8 20 21 A T E +C 140 0A 40 -2,-0.3 97,-2.2 120,-0.2 2,-0.3 -0.987 22.2 178.9-129.3 120.8 35.1 46.3 30.2 21 22 A I E -CD 139 116A 0 118,-2.5 118,-2.5 -2,-0.5 2,-0.4 -0.913 21.5-140.2-128.0 150.9 36.3 45.0 26.8 22 23 A T E -CD 138 115A 11 93,-3.1 93,-2.4 -2,-0.3 2,-0.4 -0.903 16.5-167.4-111.0 138.9 34.7 43.7 23.7 23 24 A I E -CD 137 114A 0 114,-2.6 114,-1.9 -2,-0.4 2,-0.3 -0.997 6.3-179.5-126.5 124.1 36.3 40.8 21.8 24 25 A D E - D 0 113A 53 89,-2.1 89,-2.0 -2,-0.4 2,-0.4 -0.927 28.2-120.5-119.1 154.4 35.3 39.7 18.3 25 26 A K E - D 0 112A 92 -2,-0.3 2,-0.3 87,-0.2 87,-0.3 -0.740 31.1-156.0 -85.2 135.6 36.5 36.9 16.1 26 27 A L E - D 0 111A 12 85,-2.6 85,-0.7 -2,-0.4 2,-0.1 -0.860 9.7-133.2-111.1 148.0 38.0 38.0 12.7 27 28 A D > - 0 0 70 -2,-0.3 4,-2.1 83,-0.1 5,-0.2 -0.453 40.0 -96.8 -85.0 171.4 38.4 36.2 9.4 28 29 A E H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 121.2 52.0 -53.9 -50.2 41.8 36.4 7.6 29 30 A E H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 111.7 45.5 -58.1 -45.4 40.8 39.2 5.3 30 31 A D H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.869 112.6 51.3 -72.1 -35.6 39.6 41.5 8.0 31 32 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.950 113.5 43.8 -60.0 -51.7 42.6 40.8 10.2 32 33 A a H X S+ 0 0 11 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.894 114.8 49.3 -64.4 -41.3 45.0 41.6 7.4 33 34 A L H X S+ 0 0 87 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.896 112.0 47.4 -65.2 -42.9 43.1 44.7 6.3 34 35 A K H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.919 113.6 49.3 -63.2 -43.4 42.9 46.1 9.8 35 36 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.943 111.8 47.9 -59.2 -48.7 46.6 45.4 10.3 36 37 A E H X S+ 0 0 72 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.917 110.7 52.4 -59.0 -45.4 47.4 47.2 7.0 37 38 A L H X S+ 0 0 93 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 111.2 45.9 -55.7 -45.2 45.2 50.1 8.0 38 39 A R H <>S+ 0 0 63 -4,-2.4 6,-2.1 2,-0.2 5,-1.0 0.785 111.5 51.9 -76.5 -22.3 47.0 50.5 11.3 39 40 A L H ><5S+ 0 0 69 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.953 111.8 47.6 -70.9 -49.3 50.4 50.2 9.7 40 41 A E H 3<5S+ 0 0 175 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.862 115.5 43.2 -58.4 -40.5 49.4 53.0 7.2 41 42 A D T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 109.3-123.4 -90.0 -0.7 48.1 55.3 9.8 42 43 A G T < 5S+ 0 0 60 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.621 81.0 111.4 77.6 13.8 51.0 54.7 12.1 43 44 A T < + 0 0 45 -5,-1.0 -40,-2.2 -6,-0.2 2,-0.2 0.654 46.0 104.8 -96.5 -14.9 48.9 53.5 15.1 44 45 A L E -a 3 0A 22 -6,-2.1 2,-0.5 -42,-0.2 -40,-0.2 -0.459 49.9-166.6 -65.6 129.4 50.0 49.9 15.1 45 46 A I E -a 4 0A 52 -42,-2.8 -40,-2.6 -2,-0.2 2,-0.5 -0.992 17.4-142.1-110.9 120.5 52.5 48.8 17.7 46 47 A N E +a 5 0A 18 -2,-0.5 -40,-0.1 -42,-0.2 -42,-0.1 -0.735 29.2 167.1 -85.2 121.8 53.9 45.4 16.8 47 48 A A + 0 0 14 -42,-2.4 2,-0.8 -2,-0.5 -40,-0.3 -0.012 32.2 123.7-124.4 23.1 54.4 43.2 19.8 48 49 A I - 0 0 0 18,-0.2 20,-2.1 -42,-0.2 -42,-0.1 -0.833 39.3-172.1 -87.6 113.3 55.0 39.8 18.1 49 50 A G + 0 0 15 -2,-0.8 2,-0.4 18,-0.2 20,-0.1 0.532 53.6 75.9 -85.8 -10.7 58.4 38.8 19.5 50 51 A H > - 0 0 102 18,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.885 66.3-142.2-116.5 138.2 59.1 35.7 17.4 51 52 A D H > S+ 0 0 67 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.799 100.1 60.7 -60.2 -34.0 60.2 35.3 13.7 52 53 A S H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 110.9 39.3 -63.7 -42.4 58.0 32.2 13.1 53 54 A T H > S+ 0 0 12 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.907 116.3 52.1 -73.8 -43.3 54.8 34.2 13.9 54 55 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 11,-0.2 0.913 109.9 48.4 -55.3 -48.0 56.1 37.2 12.1 55 56 A N H X S+ 0 0 88 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.915 111.3 50.7 -62.9 -43.1 56.9 35.2 8.9 56 57 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.912 112.5 46.2 -56.7 -46.0 53.4 33.6 9.0 57 58 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 6,-0.5 0.918 113.0 50.2 -66.2 -42.5 51.7 37.0 9.3 58 59 A N H X S+ 0 0 28 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.907 113.1 45.4 -63.2 -42.5 53.9 38.5 6.5 59 60 A T H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.953 117.2 45.6 -63.4 -47.8 53.1 35.6 4.2 60 61 A L H < S+ 0 0 17 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.904 128.5 22.3 -63.2 -47.3 49.4 35.8 5.1 61 62 A a H < S- 0 0 15 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.618 99.0-118.8-101.2 -16.1 48.9 39.5 4.8 62 63 A G < + 0 0 58 -4,-2.2 -4,-0.2 -5,-0.4 -3,-0.2 0.649 66.2 141.9 83.3 17.2 51.8 40.6 2.6 63 64 A T - 0 0 18 -6,-0.5 -1,-0.2 -5,-0.2 -27,-0.0 -0.192 52.2-139.3 -81.8 175.5 53.2 42.8 5.3 64 65 A Q + 0 0 178 -3,-0.1 2,-0.1 2,-0.1 -9,-0.1 -0.279 39.5 161.3-133.1 48.5 56.9 43.2 6.1 65 66 A L - 0 0 19 -11,-0.2 2,-0.3 -10,-0.0 -7,-0.1 -0.399 25.6-153.3 -71.5 145.4 56.9 43.2 9.8 66 67 A Q - 0 0 163 -2,-0.1 -18,-0.2 1,-0.1 -16,-0.1 -0.870 35.6 -89.0-111.4 151.3 60.1 42.5 11.8 67 68 A K - 0 0 116 -2,-0.3 2,-0.3 -18,-0.1 -18,-0.2 -0.223 46.4-178.3 -61.8 149.7 59.9 41.0 15.3 68 69 A N - 0 0 74 -20,-2.1 2,-0.5 2,-0.1 -18,-0.1 -0.924 21.0-143.2-155.6 120.8 59.6 43.4 18.2 69 70 A R + 0 0 226 -2,-0.3 2,-0.3 -20,-0.1 -21,-0.1 -0.799 33.6 156.9 -89.2 126.7 59.4 42.7 22.0 70 71 A V - 0 0 51 -2,-0.5 2,-0.8 -23,-0.3 -21,-0.1 -0.987 44.8-125.7-147.6 135.0 57.1 45.1 23.8 71 72 A E - 0 0 165 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.855 36.3-136.1 -82.6 114.8 55.3 44.7 27.1 72 73 A V + 0 0 12 -2,-0.8 2,-0.4 -25,-0.1 -66,-0.0 -0.654 33.4 167.2 -79.2 121.0 51.7 45.3 26.0 73 74 A K - 0 0 75 -2,-0.5 2,-0.4 -59,-0.0 -59,-0.2 -0.929 21.3-151.3-134.3 113.0 49.8 47.6 28.4 74 75 A X B -j 14 0B 2 -61,-3.6 -59,-1.9 -2,-0.4 -58,-0.4 -0.714 4.7-155.6 -96.4 129.9 46.6 48.9 27.1 75 76 A N > - 0 0 59 -2,-0.4 3,-1.5 -61,-0.1 41,-0.1 -0.372 43.6 -92.9 -82.3 173.3 44.9 52.2 28.0 76 77 A E T 3 S+ 0 0 113 1,-0.3 40,-0.3 -2,-0.1 -1,-0.0 0.759 127.1 51.0 -64.8 -23.2 41.2 52.6 27.7 77 78 A G T 3 S+ 0 0 58 38,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.468 96.8 90.9 -91.6 -1.9 41.7 54.1 24.1 78 79 A D < - 0 0 8 -3,-1.5 38,-0.5 -77,-0.2 2,-0.3 -0.555 52.3-170.3 -94.5 158.2 43.8 51.2 22.9 79 80 A E E -bE 3 115A 29 -77,-2.1 -75,-2.6 -2,-0.2 2,-0.4 -0.863 12.5-135.7-137.0 167.9 42.9 48.0 21.1 80 81 A A E -bE 4 114A 0 34,-2.9 34,-2.6 -2,-0.3 2,-0.5 -0.970 1.5-152.9-128.2 145.6 44.7 44.8 20.2 81 82 A L E -bE 5 113A 0 -77,-3.0 -75,-2.1 -2,-0.4 2,-0.4 -0.996 30.3-160.1-112.1 121.4 44.7 42.7 16.9 82 83 A I E -bE 6 112A 0 30,-3.5 30,-2.4 -2,-0.5 2,-0.5 -0.893 22.5-165.9-119.1 133.7 45.4 39.2 18.0 83 84 A I E - E 0 111A 0 -77,-2.5 2,-0.6 -2,-0.4 28,-0.2 -0.979 15.2-165.3-111.2 122.3 46.7 36.1 16.1 84 85 A X E - E 0 110A 35 26,-3.0 26,-2.1 -2,-0.5 2,-0.5 -0.935 5.2-173.2-112.6 117.7 46.2 32.8 18.1 85 86 A I E - E 0 109A 37 -2,-0.6 24,-0.2 -78,-0.4 23,-0.1 -0.944 11.4-163.2-107.7 129.9 48.1 29.7 17.0 86 87 A S S S+ 0 0 92 22,-1.9 -1,-0.2 -2,-0.5 23,-0.1 0.979 76.3 56.1 -67.6 -65.6 47.3 26.4 18.8 87 88 A Q S S- 0 0 79 21,-0.2 2,-0.8 1,-0.1 -2,-0.0 -0.387 94.5-112.4 -69.5 146.5 50.4 24.4 17.7 88 89 A R - 0 0 243 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.751 40.7-124.1 -80.9 109.9 53.8 25.9 18.5 89 90 A L - 0 0 29 -2,-0.8 2,-0.3 1,-0.1 -37,-0.1 -0.145 22.8-104.5 -55.2 145.0 55.3 26.8 15.0 90 91 A E - 0 0 119 1,-0.1 2,-1.6 -38,-0.1 3,-0.3 -0.569 27.9-126.3 -72.0 127.5 58.7 25.3 13.9 91 92 A E S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.605 100.0 18.1 -78.0 88.9 61.5 27.9 14.1 92 93 A G S S+ 0 0 67 -2,-1.6 2,-0.5 1,-0.3 -1,-0.2 -0.085 86.6 122.2 144.4 -36.4 62.8 27.6 10.5 93 94 A K - 0 0 120 -3,-0.3 2,-0.5 1,-0.1 -1,-0.3 -0.423 53.6-144.9 -63.0 108.7 59.9 25.9 8.5 94 95 A V - 0 0 130 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 -0.670 16.6-150.8 -75.0 120.1 58.9 28.2 5.7 95 96 A L - 0 0 28 -2,-0.5 2,-0.1 4,-0.0 -36,-0.0 -0.763 4.2-136.9 -96.7 136.2 55.2 27.9 5.1 96 97 A S > - 0 0 50 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.465 31.0-108.5 -79.1 163.1 53.5 28.4 1.8 97 98 A D H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.777 123.3 58.3 -66.3 -24.1 50.2 30.4 1.7 98 99 A K H > S+ 0 0 162 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.880 106.2 47.6 -66.2 -42.5 48.5 27.0 1.0 99 100 A E H > S+ 0 0 79 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.897 111.7 49.6 -64.7 -42.9 49.9 25.6 4.3 100 101 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.886 111.4 48.6 -64.5 -40.2 48.8 28.7 6.2 101 102 A K H X S+ 0 0 102 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.683 108.0 55.4 -76.7 -19.6 45.3 28.5 4.8 102 103 A D H X S+ 0 0 82 -4,-1.1 4,-3.2 2,-0.2 6,-0.2 0.949 109.1 46.6 -68.5 -55.0 45.1 24.8 5.7 103 104 A X H <>S+ 0 0 15 -4,-2.2 5,-3.2 2,-0.2 6,-0.8 0.905 115.0 48.5 -49.3 -46.1 46.0 25.6 9.3 104 105 A Y H ><5S+ 0 0 63 -4,-2.1 3,-1.2 4,-0.2 -1,-0.2 0.944 113.5 44.1 -64.9 -49.7 43.4 28.4 9.2 105 106 A R H 3<5S+ 0 0 225 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 112.1 55.1 -63.2 -33.6 40.6 26.2 7.6 106 107 A Q T 3<5S- 0 0 125 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.558 118.7-114.8 -73.8 -10.3 41.6 23.4 10.1 107 108 A G T < 5S+ 0 0 46 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.650 83.9 121.6 84.3 17.2 41.0 25.9 12.9 108 109 A K S - 0 0 33 -2,-0.4 3,-2.2 -118,-0.1 4,-0.1 -0.995 46.5-123.5-144.0 144.4 42.2 32.9 27.7 129 12 B I G > S+ 0 0 1 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.826 109.1 72.2 -54.1 -33.9 40.0 34.0 24.7 130 13 B N G 3 S+ 0 0 89 1,-0.3 -1,-0.3 61,-0.1 -3,-0.0 0.635 84.6 68.2 -57.5 -15.0 39.5 30.2 24.2 131 14 B X G < S+ 0 0 24 -3,-2.2 61,-3.1 60,-0.1 2,-0.4 0.497 81.8 88.9 -81.9 -5.6 37.3 30.3 27.2 132 15 B L B < -k 192 0C 4 -3,-2.3 61,-0.1 59,-0.2 3,-0.1 -0.819 60.5-162.6 -99.3 131.1 34.6 32.3 25.4 133 16 B K + 0 0 85 59,-1.9 2,-0.3 -2,-0.4 -1,-0.2 0.951 68.5 28.3 -76.7 -48.5 32.0 30.4 23.5 134 17 B E S S- 0 0 139 58,-0.4 -1,-0.2 2,-0.1 58,-0.0 -0.848 77.8-110.8-125.1 149.6 30.6 33.1 21.2 135 18 B F S S+ 0 0 47 -2,-0.3 -111,-0.2 -3,-0.1 2,-0.1 -0.975 86.8 41.0-132.8 145.5 31.8 36.3 19.6 136 19 B P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -112,-0.2 0.532 79.2 157.2 -71.9 155.6 31.3 39.1 19.8 137 20 B T E -C 23 0A 5 -114,-1.9 -114,-2.6 -2,-0.1 2,-0.5 -0.988 31.8-146.4-144.6 152.1 31.2 39.3 23.6 138 21 B T E -C 22 0A 43 -2,-0.3 2,-0.4 -116,-0.2 -116,-0.2 -0.984 21.9-177.2-122.9 125.0 31.7 42.0 26.1 139 22 B I E -C 21 0A 0 -118,-2.5 -118,-2.5 -2,-0.5 2,-0.4 -0.942 19.7-143.8-127.7 144.1 33.3 41.1 29.5 140 23 B T E -CH 20 233A 24 93,-3.1 93,-2.4 -2,-0.4 2,-0.4 -0.907 16.5-167.6-104.1 137.6 34.1 43.0 32.6 141 24 B I E -CH 19 232A 0 -122,-2.5 -122,-2.1 -2,-0.4 2,-0.3 -0.995 6.3-179.2-124.2 124.7 37.2 42.1 34.5 142 25 B D E - 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0 0 17 -6,-0.5 -1,-0.2 -5,-0.2 -2,-0.0 -0.214 54.1-137.0 -87.6 174.4 38.8 24.9 51.1 182 65 B Q + 0 0 180 -2,-0.1 2,-0.1 2,-0.0 -9,-0.1 -0.317 42.3 155.4-130.5 48.7 39.0 21.3 50.1 183 66 B L - 0 0 18 -11,-0.2 2,-0.3 -10,-0.0 -7,-0.1 -0.398 25.3-155.2 -67.6 153.1 39.3 21.4 46.4 184 67 B Q - 0 0 157 -2,-0.1 -18,-0.2 -20,-0.0 -16,-0.1 -0.888 37.0 -74.0-121.9 162.0 41.0 18.6 44.4 185 68 B K + 0 0 93 -2,-0.3 2,-0.3 -18,-0.1 -18,-0.2 -0.269 54.7 176.4 -49.4 127.8 42.7 18.6 41.0 186 69 B N - 0 0 72 -20,-2.4 2,-0.7 2,-0.1 -18,-0.1 -0.939 21.1-153.3-144.6 112.9 40.1 18.8 38.3 187 70 B R + 0 0 197 -2,-0.3 2,-0.4 -20,-0.1 -21,-0.1 -0.825 29.5 164.0 -86.9 116.6 40.9 19.0 34.5 188 71 B V - 0 0 49 -2,-0.7 2,-0.7 -23,-0.3 -21,-0.1 -0.999 41.1-127.4-137.3 131.1 38.0 20.8 32.8 189 72 B E - 0 0 164 -2,-0.4 2,-0.6 2,-0.0 -2,-0.0 -0.731 34.6-141.0 -76.2 113.7 37.8 22.4 29.3 190 73 B V + 0 0 14 -2,-0.7 2,-0.4 -25,-0.1 -1,-0.0 -0.734 33.2 161.1 -87.2 119.9 36.4 25.9 30.2 191 74 B K - 0 0 75 -2,-0.6 2,-0.5 -58,-0.0 -59,-0.2 -0.981 23.7-151.6-135.3 119.7 33.9 27.3 27.8 192 75 B X B -k 132 0C 2 -61,-3.1 -59,-1.9 -2,-0.4 -58,-0.4 -0.841 4.8-155.4-104.9 127.2 31.7 30.2 29.1 193 76 B N > - 0 0 68 -2,-0.5 3,-1.6 -61,-0.1 41,-0.1 -0.318 43.6 -92.7 -72.9 173.7 28.2 31.2 28.1 194 77 B E T 3 S+ 0 0 111 1,-0.3 40,-0.4 -2,-0.1 -1,-0.0 0.788 127.3 50.2 -61.7 -32.0 26.9 34.8 28.5 195 78 B G T 3 S+ 0 0 58 38,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.362 98.9 91.5 -88.4 4.9 25.5 33.9 32.0 196 79 B D < - 0 0 5 -3,-1.6 38,-0.5 -77,-0.2 2,-0.3 -0.580 51.6-174.6-102.7 161.6 28.8 32.4 33.2 197 80 B E E -g 121 0A 40 -77,-2.3 -75,-2.9 -2,-0.2 2,-0.4 -0.892 12.5-135.9-147.6 170.2 31.7 33.8 35.0 198 81 B A E -gI 122 232A 0 34,-2.4 34,-2.7 -2,-0.3 2,-0.5 -0.994 3.3-151.8-136.8 142.7 35.2 32.9 36.2 199 82 B L E -gI 123 231A 0 -77,-3.5 -75,-2.6 -2,-0.4 2,-0.4 -0.969 28.9-163.8-108.3 129.9 37.3 33.4 39.3 200 83 B I E -gI 124 230A 0 30,-2.7 30,-2.2 -2,-0.5 2,-0.5 -0.944 22.7-164.0-127.5 132.9 41.0 33.5 38.5 201 84 B I E - I 0 229A 0 -77,-2.0 2,-0.7 -2,-0.4 28,-0.2 -0.973 14.1-163.5-108.2 122.1 44.3 33.1 40.3 202 85 B X E - I 0 228A 36 26,-3.3 26,-2.4 -2,-0.5 2,-0.7 -0.936 3.1-169.8-106.4 110.0 47.3 34.4 38.3 203 86 B I E - I 0 227A 36 -2,-0.7 24,-0.2 -78,-0.4 23,-0.1 -0.922 8.7-158.5 -97.5 117.3 50.5 33.1 39.8 204 87 B S S S+ 0 0 90 22,-2.4 2,-0.3 -2,-0.7 -1,-0.1 0.705 72.2 39.1 -75.7 -19.2 53.2 35.1 37.9 205 88 B Q S S- 0 0 97 21,-0.6 2,-0.3 -3,-0.1 -2,-0.0 -0.806 94.8 -90.2-124.1 169.1 55.9 32.5 38.7 206 89 B R - 0 0 184 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.559 42.5-119.4 -76.3 136.2 56.2 28.7 38.9 207 90 B L - 0 0 21 -2,-0.3 2,-0.4 1,-0.1 -37,-0.1 -0.534 31.6-108.2 -72.7 141.6 55.5 27.2 42.3 208 91 B E > - 0 0 134 -2,-0.2 3,-1.1 1,-0.1 2,-0.2 -0.591 34.5-123.3 -73.5 128.9 58.4 25.2 43.8 209 92 B E T 3 S+ 0 0 145 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.479 90.7 17.4 -74.0 138.9 57.8 21.5 43.7 210 93 B G T 3 S+ 0 0 88 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.538 97.1 119.4 76.8 6.2 57.9 19.7 46.9 211 94 B K < - 0 0 77 -3,-1.1 2,-0.7 2,-0.0 -1,-0.2 -0.904 56.3-145.0-104.4 131.2 57.6 22.8 49.0 212 95 B V - 0 0 129 -2,-0.5 2,-0.5 -3,-0.1 -3,-0.0 -0.803 18.9-141.4 -89.5 117.8 54.7 23.4 51.3 213 96 B L - 0 0 37 -2,-0.7 2,-0.1 4,-0.1 -36,-0.0 -0.679 10.4-139.6 -78.0 125.9 53.7 27.1 51.3 214 97 B S > - 0 0 50 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.444 26.9-110.6 -70.1 160.6 52.7 28.5 54.7 215 98 B D H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 122.4 54.4 -59.6 -37.5 49.7 31.0 54.8 216 99 B K H > S+ 0 0 159 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 106.7 50.2 -58.9 -48.2 52.3 33.7 55.6 217 100 B E H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.892 109.5 51.2 -58.6 -41.9 54.4 32.8 52.5 218 101 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 111.6 46.8 -63.9 -44.2 51.3 32.9 50.3 219 102 B K H X S+ 0 0 77 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.875 110.1 53.9 -66.1 -36.7 50.4 36.4 51.7 220 103 B D H X S+ 0 0 58 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 108.9 49.1 -56.3 -48.3 54.1 37.5 51.1 221 104 B X H <>S+ 0 0 17 -4,-2.6 5,-3.1 1,-0.2 6,-0.7 0.894 113.3 46.6 -58.9 -43.4 53.7 36.3 47.5 222 105 B Y H ><5S+ 0 0 68 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.887 109.4 52.8 -64.5 -45.5 50.5 38.3 47.2 223 106 B R H 3<5S+ 0 0 186 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.905 110.1 51.4 -53.5 -41.4 52.0 41.4 48.9 224 107 B Q T 3<5S- 0 0 118 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.420 117.8-112.9 -80.4 -0.7 54.8 41.1 46.3 225 108 B G T < 5S+ 0 0 45 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.705 84.2 122.1 74.0 21.0 52.4 41.0 43.3 226 109 B K S