==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 05-JAN-12 3VDD . COMPND 2 MOLECULE: PROTEIN VP1; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN RHINOVIRUS 2; . AUTHOR C.J.MORTON,S.C.FEIL,M.W.PARKER . 804 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 25.0 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 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 84 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 2 1 1 0 1 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 . 4 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 . 10 8 1 3 5 6 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 1 1 1 0 1 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 4 A E > 0 0 188 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.6 -17.7 -138.7 -105.9 2 5 A N T 4 + 0 0 69 2,-0.2 4,-0.1 3,-0.1 9,-0.1 0.209 360.0 63.3-100.7 6.4 -18.2 -142.2 -104.2 3 6 A Y T 4 S+ 0 0 119 3,-0.1 4,-0.4 2,-0.1 -1,-0.0 0.746 116.4 35.1 -80.0 -38.7 -15.3 -141.7 -101.6 4 7 A I T >> S+ 0 0 75 2,-0.2 3,-1.8 769,-0.2 4,-1.3 0.983 112.1 54.1 -74.8 -66.2 -17.5 -138.7 -100.4 5 8 A D T 3<>S+ 0 0 76 -4,-1.0 5,-2.2 1,-0.3 6,-0.4 0.633 116.3 41.9 -49.6 -26.5 -21.2 -139.9 -100.8 6 9 A E T 345S+ 0 0 20 3,-0.2 -1,-0.3 4,-0.2 -2,-0.2 0.569 98.3 71.5 -97.1 -11.1 -20.4 -143.1 -98.7 7 10 A V T <45S+ 0 0 65 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.946 110.8 34.3 -66.4 -40.9 -18.3 -141.3 -96.0 8 11 A L T <5S- 0 0 138 -4,-1.3 -1,-0.2 1,-0.0 -2,-0.1 0.377 120.7-118.1 -89.8 7.0 -21.7 -139.7 -94.7 9 12 A N T 5S+ 0 0 100 -5,-0.3 51,-0.3 -3,-0.1 -3,-0.2 0.769 70.2 133.8 66.1 39.7 -23.4 -143.0 -95.8 10 13 A E < + 0 0 101 -5,-2.2 -4,-0.2 49,-0.1 2,-0.2 0.268 24.2 108.6-101.5 1.6 -25.8 -141.6 -98.5 11 14 A V S S+ 0 0 38 -6,-0.4 49,-0.3 1,-0.2 781,-0.1 -0.612 75.4 44.0 -74.6 152.2 -25.7 -143.9 -101.7 12 15 A L S S- 0 0 9 -2,-0.2 47,-2.3 47,-0.1 48,-0.3 0.978 85.3-161.8 71.4 73.8 -29.0 -145.9 -101.9 13 16 A V B -A 58 0A 63 45,-0.2 45,-0.2 46,-0.1 -1,-0.1 -0.520 19.6-122.8-104.6 153.8 -31.8 -143.4 -101.1 14 17 A V - 0 0 3 43,-1.0 736,-0.1 -2,-0.2 41,-0.1 -0.752 37.7-110.3 -89.0 133.1 -35.4 -143.4 -100.0 15 18 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 42,-0.1 0.007 32.3-108.4 -55.9 154.6 -38.0 -141.7 -102.2 16 19 A N - 0 0 53 38,-0.1 2,-0.6 40,-0.1 38,-0.2 -0.573 23.9-117.7 -84.4 156.9 -39.7 -138.5 -101.1 17 20 A I B -B 53 0B 11 36,-1.7 36,-2.7 -2,-0.2 2,-0.2 -0.885 34.7-148.5 -89.2 122.0 -43.4 -138.3 -100.1 18 21 A N - 0 0 79 -2,-0.6 32,-0.2 34,-0.2 2,-0.0 -0.538 21.7 -95.1 -85.6 158.7 -45.3 -136.0 -102.5 19 22 A S - 0 0 73 -2,-0.2 2,-0.3 30,-0.1 32,-0.2 -0.353 43.2-159.6 -69.4 154.8 -48.2 -133.7 -101.8 20 23 A S - 0 0 21 30,-2.1 26,-0.1 -2,-0.0 29,-0.1 -0.913 3.7-150.4-140.2 160.5 -51.5 -135.2 -102.6 21 24 A N - 0 0 120 -2,-0.3 2,-0.2 24,-0.2 29,-0.0 -0.873 38.9 -70.6-132.8 158.6 -55.0 -133.8 -103.2 22 25 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 26,-0.0 -0.366 53.8-153.5 -55.9 124.8 -58.7 -134.8 -102.8 23 26 A T + 0 0 97 -2,-0.2 2,-0.3 23,-0.1 26,-0.0 -0.765 23.1 172.5 -99.4 132.4 -59.4 -137.6 -105.3 24 27 A T + 0 0 141 -2,-0.4 2,-0.3 0, 0.0 0, 0.0 -0.825 36.1 109.4-136.7 112.3 -62.8 -138.3 -106.9 25 28 A S S S- 0 0 75 -2,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.964 75.0-102.5-167.6 175.9 -62.6 -140.9 -109.6 26 29 A N S S+ 0 0 177 -2,-0.3 2,-0.8 2,-0.0 -1,-0.0 0.406 90.5 100.6 -92.7 -2.1 -63.2 -144.5 -111.1 27 30 A S - 0 0 89 1,-0.0 3,-0.2 3,-0.0 -2,-0.1 -0.787 53.2-175.6 -89.4 112.4 -59.6 -145.3 -110.5 28 31 A A + 0 0 50 -2,-0.8 3,-0.4 1,-0.2 -2,-0.0 -0.806 14.2 166.2-114.8 85.1 -59.4 -147.3 -107.3 29 32 A P S S+ 0 0 56 0, 0.0 12,-0.3 0, 0.0 13,-0.2 0.752 78.1 61.3 -66.9 -27.2 -55.7 -147.9 -106.5 30 33 A A S S+ 0 0 17 16,-0.2 667,-2.7 -3,-0.2 2,-0.7 0.793 94.5 77.2 -69.0 -26.1 -56.7 -149.1 -102.9 31 34 A L E +C 696 0C 54 -3,-0.4 2,-0.2 665,-0.2 665,-0.2 -0.770 59.7 129.6 -90.6 113.7 -58.6 -151.9 -104.6 32 35 A D E -C 695 0C 60 663,-0.7 663,-1.2 -2,-0.7 2,-0.4 -0.725 55.9-106.1-139.3-172.0 -56.6 -154.8 -106.0 33 36 A A > - 0 0 19 -2,-0.2 3,-1.2 661,-0.2 5,-0.4 -0.971 16.1-167.6-125.7 116.2 -56.6 -158.6 -105.7 34 37 A A G > S+ 0 0 8 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.559 80.4 84.7 -79.3 -6.6 -53.9 -160.2 -103.5 35 38 A E G 3 S+ 0 0 3 1,-0.2 427,-1.8 426,-0.1 -1,-0.3 0.753 74.6 71.9 -59.2 -29.7 -54.9 -163.5 -105.1 36 39 A T G < S- 0 0 15 -3,-1.2 -1,-0.2 425,-0.2 -2,-0.2 0.797 110.4-119.1 -61.1 -27.5 -52.5 -162.6 -107.9 37 40 A G S < S+ 0 0 3 -3,-1.1 2,-0.4 1,-0.4 423,-0.2 0.427 77.0 125.1 98.1 1.1 -49.5 -163.2 -105.7 38 41 A H - 0 0 10 -5,-0.4 -1,-0.4 764,-0.1 2,-0.2 -0.784 62.8-126.5 -96.5 134.9 -48.6 -159.6 -106.2 39 42 A T - 0 0 4 762,-1.7 543,-0.0 -2,-0.4 -6,-0.0 -0.581 43.3 -90.1 -75.2 143.7 -48.1 -157.2 -103.3 40 43 A S - 0 0 5 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.055 22.6-147.5 -62.8 155.6 -50.2 -154.0 -103.5 41 44 A S + 0 0 91 -12,-0.3 -1,-0.1 -3,-0.1 -11,-0.1 0.383 52.3 130.1 -99.9 -1.4 -48.9 -150.9 -105.3 42 45 A V - 0 0 3 -13,-0.2 656,-0.1 -12,-0.1 -12,-0.0 -0.258 36.6-166.6 -66.2 142.2 -50.6 -148.3 -103.1 43 46 A Q >> - 0 0 35 705,-0.1 3,-2.7 1,-0.1 4,-0.9 -0.869 36.4-100.4-126.2 161.5 -48.6 -145.5 -101.6 44 47 A P H >> S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.873 121.3 56.1 -49.7 -43.4 -49.4 -143.0 -98.8 45 48 A E H 34 S+ 0 0 21 1,-0.2 5,-0.2 2,-0.2 -24,-0.2 0.701 99.8 62.8 -63.8 -19.6 -50.3 -140.3 -101.3 46 49 A D H <4 S+ 0 0 72 -3,-2.7 -1,-0.2 1,-0.2 -16,-0.2 0.831 114.3 26.9 -74.3 -40.5 -52.9 -142.6 -103.0 47 50 A V H << S+ 0 0 38 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 0.413 124.0 36.7-103.1 -1.2 -55.3 -143.0 -100.0 48 51 A I S < S- 0 0 49 -4,-1.1 2,-0.8 636,-0.1 -1,-0.1 -0.999 84.1-101.6-152.1 153.3 -54.7 -139.8 -98.0 49 52 A E - 0 0 124 -2,-0.3 2,-0.2 -3,-0.1 -28,-0.1 -0.629 52.6-174.3 -79.4 114.7 -54.0 -136.2 -98.5 50 53 A T - 0 0 23 -2,-0.8 -30,-2.1 -5,-0.2 2,-0.2 -0.604 19.2-130.8-112.2 158.8 -50.2 -135.9 -97.9 51 54 A R - 0 0 197 -32,-0.2 2,-0.5 -2,-0.2 -6,-0.0 -0.598 36.4 -90.8 -99.2 173.4 -47.8 -133.1 -97.6 52 55 A Y + 0 0 113 -2,-0.2 2,-0.4 -32,-0.0 -34,-0.2 -0.727 47.9 175.5 -85.6 124.5 -44.4 -132.8 -99.4 53 56 A V B -B 17 0B 61 -36,-2.7 -36,-1.7 -2,-0.5 2,-0.9 -0.971 26.2-138.4-136.1 127.5 -41.6 -134.2 -97.3 54 57 A Q - 0 0 139 -2,-0.4 2,-0.5 -38,-0.2 -38,-0.1 -0.672 23.0-144.6 -90.5 108.9 -37.9 -134.6 -98.4 55 58 A T + 0 0 14 -2,-0.9 -41,-0.1 1,-0.2 -1,-0.0 -0.593 26.2 173.6 -94.1 121.0 -36.6 -137.8 -97.2 56 59 A S + 0 0 82 -2,-0.5 -1,-0.2 -43,-0.1 -40,-0.1 0.454 40.5 121.8 -99.8 -7.4 -33.1 -138.0 -96.1 57 60 A Q - 0 0 17 -42,-0.1 -43,-1.0 1,-0.1 2,-0.4 0.085 48.8-141.7 -61.8 160.3 -33.1 -141.6 -94.8 58 61 A T B -A 13 0A 24 -45,-0.2 3,-0.5 1,-0.1 -45,-0.2 -0.975 22.3-159.9-142.2 136.3 -30.8 -144.3 -96.2 59 62 A R > + 0 0 18 -47,-2.3 3,-0.9 -2,-0.4 4,-0.3 0.378 67.5 104.7 -88.2 6.0 -30.9 -148.0 -97.0 60 63 A D G > S+ 0 0 11 -51,-0.3 3,-1.8 -48,-0.3 6,-0.3 0.907 79.9 50.0 -52.5 -47.6 -27.2 -148.5 -96.8 61 64 A E G 3 S+ 0 0 54 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.755 104.5 59.9 -66.6 -23.7 -27.3 -150.3 -93.5 62 65 A M G < S+ 0 0 0 -3,-0.9 514,-3.1 -4,-0.2 -1,-0.3 0.372 81.0 117.6 -84.5 3.7 -30.0 -152.6 -94.8 63 66 A S B <> S-H 575 0D 3 -3,-1.8 4,-2.1 -4,-0.3 3,-0.5 -0.307 79.0-114.6 -72.2 157.1 -27.8 -154.0 -97.6 64 67 A L H > S+ 0 0 4 510,-2.3 4,-1.9 1,-0.3 5,-0.3 0.834 118.1 56.3 -60.3 -29.1 -26.9 -157.6 -97.7 65 68 A E H > S+ 0 0 23 509,-0.4 4,-0.8 1,-0.2 -1,-0.3 0.886 108.0 45.4 -74.8 -33.5 -23.3 -156.5 -97.2 66 69 A S H 4 S+ 0 0 27 -3,-0.5 -1,-0.2 -6,-0.3 -2,-0.2 0.876 114.3 48.8 -71.0 -38.2 -24.1 -154.7 -94.0 67 70 A F H < S+ 0 0 6 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.872 120.9 30.7 -74.2 -42.0 -26.3 -157.4 -92.6 68 71 A L H < S+ 0 0 3 -4,-1.9 168,-1.7 -5,-0.2 2,-0.3 0.639 101.3 85.9 -90.3 -10.3 -24.0 -160.4 -93.1 69 72 A G < + 0 0 17 -4,-0.8 2,-0.4 -5,-0.3 -1,-0.2 0.019 67.7 89.5 -88.1 27.0 -20.8 -158.4 -92.7 70 73 A R S S- 0 0 66 -2,-0.3 166,-0.2 -3,-0.3 2,-0.2 -0.988 76.7-124.1-120.5 136.5 -20.6 -158.6 -89.0 71 74 A S + 0 0 7 477,-1.7 2,-0.3 -2,-0.4 164,-0.2 -0.544 33.7 169.4 -83.5 148.1 -18.7 -161.5 -87.3 72 75 A G E -I 234 0E 17 162,-0.6 162,-2.2 -2,-0.2 2,-0.3 -0.948 42.4 -77.2-148.5 164.4 -20.4 -163.8 -84.8 73 76 A C E +I 233 0E 27 -2,-0.3 31,-0.3 160,-0.2 160,-0.2 -0.472 41.2 168.0 -75.3 121.8 -19.5 -167.0 -83.1 74 77 A I E + 0 0 7 158,-2.4 26,-0.4 -2,-0.3 2,-0.3 0.575 66.9 10.5-102.4 -14.9 -19.9 -170.2 -85.1 75 78 A H E -I 232 0E 16 157,-1.0 157,-2.7 25,-0.1 2,-0.5 -0.956 51.7-153.6-158.4 146.8 -18.0 -172.7 -82.9 76 79 A E E -I 231 0E 81 -2,-0.3 2,-0.6 155,-0.2 155,-0.2 -0.953 16.7-168.8-121.0 111.7 -16.5 -173.1 -79.5 77 80 A S E -I 230 0E 8 153,-2.1 153,-1.8 -2,-0.5 2,-0.5 -0.897 2.4-164.0-107.2 118.5 -13.7 -175.6 -79.2 78 81 A K E -I 229 0E 142 -2,-0.6 2,-0.6 151,-0.2 151,-0.2 -0.861 1.1-163.3 -95.0 127.7 -12.5 -176.6 -75.7 79 82 A L E -I 228 0E 9 149,-2.1 149,-2.1 -2,-0.5 2,-0.7 -0.927 1.6-163.8-111.4 106.4 -9.1 -178.4 -75.4 80 83 A E E -I 227 0E 96 -2,-0.6 2,-0.6 147,-0.2 10,-0.3 -0.805 16.7-144.9 -89.3 116.7 -8.7 -180.0 -72.1 81 84 A V - 0 0 1 145,-1.5 145,-0.4 -2,-0.7 2,-0.3 -0.771 20.0-175.6 -93.0 122.0 -5.0 -180.7 -71.8 82 85 A T - 0 0 50 -2,-0.6 2,-0.4 4,-0.1 4,-0.1 -0.701 24.8-139.7-103.0 152.2 -4.0 -184.0 -70.0 83 86 A L + 0 0 64 -2,-0.3 2,-0.5 2,-0.1 -2,-0.0 -0.622 56.2 127.0-113.4 84.8 -0.7 -185.2 -69.2 84 87 A A S > S- 0 0 67 -2,-0.4 4,-0.5 0, 0.0 3,-0.2 -0.802 112.6 -45.1-122.2 88.3 -1.0 -189.0 -69.9 85 88 A N T 4 S- 0 0 120 -2,-0.5 2,-5.4 1,-0.2 3,-0.2 0.822 81.3-130.8 29.7 33.7 2.0 -188.9 -72.2 86 89 A Y T 4 S+ 0 0 3 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.066 91.2 77.7 57.5 -24.1 0.5 -185.8 -73.6 87 90 A N T 4 S+ 0 0 45 -2,-5.4 67,-1.1 -3,-0.2 -1,-0.3 0.418 77.5 66.8-104.2 -5.6 0.9 -187.0 -77.2 88 91 A K S < S+ 0 0 154 -4,-0.5 2,-0.2 -3,-0.2 -2,-0.1 0.671 116.8 4.6 -90.5 -12.2 -2.0 -189.4 -77.4 89 92 A E + 0 0 98 63,-0.1 64,-0.7 -7,-0.1 -8,-0.1 -0.439 69.1 108.0-148.7-157.7 -4.5 -186.6 -77.1 90 93 A N + 0 0 6 -10,-0.3 127,-1.1 1,-0.2 2,-0.3 0.970 58.6 115.4 66.2 53.0 -4.8 -182.9 -76.8 91 94 A F E -O 216 0F 51 125,-0.2 125,-0.2 -11,-0.1 2,-0.2 -0.944 52.0-140.3-146.7 140.7 -6.3 -182.0 -80.2 92 95 A T E -O 215 0F 14 123,-1.0 123,-0.9 -2,-0.3 2,-0.3 -0.585 13.9-171.5 -76.5 149.1 -9.6 -180.5 -81.4 93 96 A V E +O 214 0F 72 -2,-0.2 2,-0.4 121,-0.2 121,-0.2 -0.938 7.9 175.9-138.0 131.4 -11.4 -181.7 -84.5 94 97 A W E -O 213 0F 5 119,-1.4 119,-2.7 -2,-0.3 2,-0.4 -0.972 27.5-138.1-134.1 124.3 -14.4 -179.8 -85.9 95 98 A A E -O 212 0F 55 -2,-0.4 2,-0.4 117,-0.2 117,-0.2 -0.695 41.7-111.6 -75.6 130.6 -16.4 -180.4 -89.0 96 99 A I + 0 0 44 115,-2.4 114,-0.6 -2,-0.4 2,-0.3 -0.522 52.8 146.3 -87.5 119.1 -17.1 -177.0 -90.4 97 100 A N - 0 0 18 -2,-0.4 3,-0.5 -23,-0.1 112,-0.0 -0.996 49.7-147.2-143.0 146.0 -20.7 -175.6 -90.4 98 101 A L S S+ 0 0 40 -2,-0.3 3,-0.4 1,-0.2 10,-0.1 0.274 91.9 84.2 -85.8 9.7 -22.4 -172.4 -90.1 99 102 A Q + 0 0 14 1,-0.2 -1,-0.2 5,-0.1 157,-0.1 0.520 64.8 70.7 -99.2 0.8 -25.0 -174.6 -88.5 100 103 A E S S+ 0 0 10 -3,-0.5 668,-0.5 -26,-0.4 2,-0.4 0.533 90.9 57.2 -98.4 -2.0 -24.1 -175.1 -84.8 101 104 A M S > S- 0 0 37 -3,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.990 71.7-146.6-129.6 127.8 -24.8 -171.6 -83.4 102 105 A A H > S+ 0 0 2 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.839 83.3 63.8 -67.5 -40.2 -28.2 -170.2 -83.8 103 106 A Q H > S+ 0 0 96 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.937 114.2 28.9 -57.4 -56.4 -27.6 -166.5 -84.1 104 107 A I H > S+ 0 0 8 -31,-0.3 4,-1.9 1,-0.2 3,-0.4 0.918 117.1 61.6 -70.5 -39.6 -25.6 -166.3 -87.4 105 108 A R H X S+ 0 0 4 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.916 101.7 51.5 -49.9 -46.2 -27.4 -169.5 -88.6 106 109 A R H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 142,-0.2 0.906 109.1 52.6 -58.2 -38.5 -30.8 -167.8 -88.5 107 110 A K H >< S+ 0 0 18 -4,-1.1 3,-1.4 -3,-0.4 -2,-0.2 0.945 112.0 40.1 -67.8 -51.6 -29.4 -164.8 -90.5 108 111 A F H >< S+ 0 0 4 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.755 105.6 67.9 -68.0 -20.4 -28.0 -166.7 -93.5 109 112 A E T 3< S+ 0 0 9 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.276 77.5 85.1 -86.6 9.3 -31.0 -169.1 -93.4 110 113 A L T < S+ 0 0 5 -3,-1.4 135,-1.9 137,-0.1 -1,-0.3 0.505 94.0 48.0 -75.2 -12.7 -32.9 -166.0 -94.5 111 114 A F E < S-J 244 0E 0 -3,-1.5 132,-0.2 133,-0.3 3,-0.1 -0.892 74.6-137.9-132.3 156.9 -31.9 -167.0 -98.0 112 115 A T E S+ 0 0 0 130,-1.9 78,-2.2 131,-0.7 79,-0.6 0.886 91.9 19.8 -83.6 -41.4 -31.9 -170.2 -100.0 113 116 A Y E -JK 242 189E 0 129,-1.8 129,-2.3 76,-0.2 2,-0.3 -0.973 69.6-175.6-130.3 144.4 -28.5 -169.7 -101.6 114 117 A T E -JK 241 188E 4 74,-1.9 74,-3.4 -2,-0.4 2,-0.4 -0.983 6.5-168.4-140.3 152.1 -25.6 -167.5 -100.5 115 118 A R E +J 240 0E 42 125,-2.6 125,-2.4 -2,-0.3 2,-0.3 -0.991 26.4 120.2-145.0 134.3 -22.2 -166.6 -101.8 116 119 A F E - 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