==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-OCT-11 3U54 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE S . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.MANJUNATH,S.P.KANAUJIA,K.SUREKHA,J.JEYAKANTHAN,K.SEKAR . 450 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 2 0.4 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 . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 0 2 0 0 0 0 0 0 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 4 4 6 0 2 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 0 4 0 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 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 12 A A 0 0 48 0, 0.0 16,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -13.8 37.8 -4.7 22.7 2 13 A K E -A 16 0A 52 14,-0.2 2,-0.4 16,-0.0 14,-0.2 -0.998 360.0-164.1-132.2 139.3 34.7 -3.8 24.7 3 14 A K E -A 15 0A 129 12,-2.1 12,-3.0 -2,-0.4 2,-0.6 -0.992 12.5-145.1-123.5 130.9 33.5 -5.1 28.1 4 15 A M E -A 14 0A 83 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 -0.850 15.2-171.6 -96.2 116.8 29.9 -4.6 29.3 5 16 A I E -A 13 0A 60 8,-3.0 8,-3.1 -2,-0.6 2,-0.1 -0.943 19.1-132.9-110.4 115.9 29.6 -4.0 33.0 6 17 A P E +A 12 0A 105 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.353 27.5 171.9 -67.4 141.3 26.1 -4.1 34.5 7 18 A I - 0 0 85 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.690 61.4 -48.7-104.3 -71.0 24.9 -1.3 36.8 8 19 A D S S- 0 0 61 3,-1.8 -1,-0.5 0, 0.0 0, 0.0 -0.644 74.3 -59.2-144.1-157.4 21.2 -2.0 37.3 9 20 A D S S+ 0 0 136 -2,-0.2 3,-0.1 1,-0.2 62,-0.0 0.770 128.6 37.4 -66.5 -29.6 18.0 -2.7 35.3 10 21 A D S S+ 0 0 98 1,-0.1 61,-4.3 60,-0.1 2,-0.3 0.734 119.7 18.1 -95.3 -25.9 18.0 0.5 33.2 11 22 A K E - B 0 70A 63 59,-0.3 -3,-1.8 48,-0.0 -4,-1.5 -0.940 49.0-177.8-151.7 163.1 21.7 1.1 32.5 12 23 A L E -AB 6 69A 24 57,-2.6 57,-3.1 -2,-0.3 2,-0.4 -0.935 31.3-101.1-155.0 171.8 25.3 -0.2 32.3 13 24 A I E -AB 5 68A 26 -8,-3.1 -8,-3.0 -2,-0.3 2,-0.6 -0.897 21.6-156.0-105.9 131.5 28.9 0.8 31.6 14 25 A X E -AB 4 67A 0 53,-3.0 53,-2.7 -2,-0.4 2,-0.6 -0.934 15.1-159.6-105.7 117.4 30.6 0.1 28.2 15 26 A E E -AB 3 66A 57 -12,-3.0 -12,-2.1 -2,-0.6 2,-0.4 -0.884 5.8-147.8-110.7 121.4 34.3 -0.1 28.6 16 27 A F E -A 2 0A 2 49,-3.1 -14,-0.2 -2,-0.6 2,-0.2 -0.695 19.0-161.5 -87.7 129.1 36.7 0.4 25.7 17 28 A K - 0 0 38 -16,-3.0 21,-0.1 -2,-0.4 -1,-0.0 -0.479 28.4-126.3-103.9 172.2 39.9 -1.6 25.8 18 29 A D S S+ 0 0 53 16,-0.2 13,-2.4 -2,-0.2 2,-0.2 0.577 77.4 109.4 -92.2 -12.0 43.3 -1.3 24.1 19 30 A D E -D 30 0B 101 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.477 53.2-162.5 -65.9 127.2 43.1 -5.0 23.0 20 31 A A E -D 29 0B 0 9,-2.3 9,-1.9 -2,-0.2 2,-0.4 -0.955 6.7-169.2-114.7 136.3 42.6 -5.4 19.2 21 32 A T E +D 28 0B 59 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.974 8.9 173.4-132.2 136.0 41.4 -8.7 17.8 22 33 A A E > > +D 27 0B 7 5,-2.6 5,-1.9 -2,-0.4 3,-0.9 -0.971 60.6 19.3-138.7 157.1 41.1 -10.1 14.2 23 34 A F G > 5S- 0 0 104 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.859 128.9 -54.4 53.1 45.6 40.2 -13.4 12.5 24 35 A D G 3 5S- 0 0 133 1,-0.3 -1,-0.2 2,-0.1 92,-0.0 0.684 107.5 -48.6 68.5 24.5 38.4 -14.8 15.6 25 36 A G G < 5S+ 0 0 37 -3,-0.9 -1,-0.3 2,-0.3 -2,-0.2 0.070 112.5 109.4 108.1 -23.4 41.3 -14.3 18.0 26 37 A T T < 5S+ 0 0 124 -3,-1.2 2,-0.4 1,-0.1 -3,-0.2 0.704 82.7 47.0 -63.1 -20.1 44.1 -15.9 15.9 27 38 A K E - 0 0 44 -13,-2.4 3,-2.4 -2,-0.4 4,-0.4 -0.917 20.6-133.4-124.6 106.5 47.4 -0.4 21.0 32 43 A K T 3 S+ 0 0 115 -2,-0.5 -2,-0.0 1,-0.3 -14,-0.0 -0.368 95.1 18.6 -58.1 121.4 47.9 2.2 23.7 33 44 A G T 3> S+ 0 0 28 -2,-0.1 4,-2.6 193,-0.0 -1,-0.3 0.082 91.3 107.8 105.8 -20.4 45.2 4.9 23.2 34 45 A K H <> S+ 0 0 0 -3,-2.4 4,-2.8 1,-0.2 5,-0.2 0.915 79.5 50.2 -57.9 -46.9 42.9 2.8 21.0 35 46 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.925 112.1 46.4 -56.9 -50.4 40.3 2.4 23.8 36 47 A W H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.958 114.8 47.0 -56.4 -54.6 40.2 6.1 24.6 37 48 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.885 112.8 49.1 -55.2 -46.5 39.9 7.1 20.9 38 49 A N H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 142,-0.3 0.890 112.1 47.5 -61.7 -46.2 37.2 4.5 20.2 39 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.922 115.0 47.5 -58.3 -45.7 35.1 5.6 23.2 40 51 A Q H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.797 110.6 48.6 -71.6 -34.9 35.5 9.3 22.2 41 52 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.848 110.5 54.7 -72.8 -33.5 34.6 8.8 18.5 42 53 A S H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.2 5,-0.3 0.930 108.3 47.5 -59.6 -48.7 31.6 6.8 19.7 43 54 A V H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.929 111.7 50.2 -58.5 -49.4 30.4 9.7 21.9 44 55 A I H X S+ 0 0 38 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.955 115.8 42.9 -52.4 -53.3 30.9 12.2 19.0 45 56 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 135,-0.3 -2,-0.2 0.919 113.0 49.3 -62.7 -51.4 28.9 10.0 16.7 46 57 A F H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.845 114.4 47.0 -57.3 -37.8 26.1 9.1 19.1 47 58 A K H X S+ 0 0 117 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.912 110.0 52.5 -73.8 -41.5 25.6 12.8 20.0 48 59 A L H X S+ 0 0 23 -4,-2.4 4,-0.6 -5,-0.3 3,-0.3 0.927 114.1 43.2 -53.6 -48.6 25.7 13.8 16.3 49 60 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.6 0.918 109.6 55.5 -67.7 -44.8 22.9 11.3 15.5 50 61 A E H ><5S+ 0 0 77 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.718 97.6 65.8 -58.1 -24.8 20.9 12.1 18.6 51 62 A E H 3<5S+ 0 0 154 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.799 102.3 48.1 -61.6 -30.9 21.0 15.7 17.3 52 63 A H T <<5S- 0 0 52 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.201 129.2 -97.3 -97.4 14.8 18.9 14.4 14.4 53 64 A G T < 5S+ 0 0 66 -3,-1.0 2,-0.6 1,-0.3 -3,-0.2 0.718 72.4 151.9 78.1 21.8 16.4 12.6 16.7 54 65 A I < - 0 0 12 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.761 45.2-131.1 -81.2 123.0 18.1 9.2 16.3 55 66 A K + 0 0 55 -2,-0.6 121,-2.2 119,-0.2 2,-0.3 -0.665 35.7 174.5 -79.8 121.0 17.4 7.3 19.5 56 67 A T B -e 176 0C 5 -2,-0.5 121,-0.2 119,-0.2 14,-0.1 -0.839 43.2-120.0-127.2 161.6 20.7 5.8 20.8 57 68 A H S S+ 0 0 6 119,-2.3 13,-3.4 -2,-0.3 120,-0.1 0.627 74.1 120.4 -77.3 -10.4 21.7 3.9 24.0 58 69 A F E +C 69 0A 20 118,-0.2 11,-0.2 11,-0.2 -2,-0.2 -0.290 25.1 159.3 -59.3 123.8 24.2 6.6 24.9 59 70 A I E - 0 0 85 9,-2.9 2,-0.3 1,-0.4 10,-0.2 0.775 58.6 -38.5-108.6 -57.7 23.5 8.2 28.3 60 71 A G E -C 68 0A 20 8,-1.5 8,-3.7 2,-0.0 -1,-0.4 -0.952 55.7 -89.1-157.5 177.1 26.8 9.8 29.4 61 72 A V E -C 67 0A 73 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.808 24.7-171.7 -93.4 135.8 30.6 9.6 29.6 62 73 A A - 0 0 32 4,-3.0 3,-0.2 1,-0.6 4,-0.1 -0.708 66.0 -43.0-124.6 77.7 32.2 7.9 32.6 63 74 A G S > S- 0 0 49 -2,-0.3 3,-1.4 1,-0.2 -1,-0.6 0.008 90.2 -54.8 78.8 167.2 35.9 8.7 32.2 64 75 A G T 3 S+ 0 0 25 1,-0.3 -24,-0.2 162,-0.2 -1,-0.2 0.712 134.9 24.8 -52.0 -35.7 38.0 8.6 29.0 65 76 A N T 3 S+ 0 0 55 -3,-0.2 -49,-3.1 -26,-0.1 2,-0.4 0.208 106.2 83.9-118.4 16.1 37.3 5.0 28.0 66 77 A R E < -B 15 0A 94 -3,-1.4 -4,-3.0 -51,-0.2 2,-0.4 -0.976 51.8-166.7-125.9 128.9 33.9 4.3 29.6 67 78 A L E -BC 14 61A 0 -53,-2.7 -53,-3.0 -2,-0.4 2,-0.6 -0.870 18.5-136.0-107.8 145.0 30.4 5.1 28.3 68 79 A I E -BC 13 60A 41 -8,-3.7 -9,-2.9 -2,-0.4 -8,-1.5 -0.904 33.7-177.4 -97.9 124.5 27.2 4.9 30.3 69 80 A V E -BC 12 58A 1 -57,-3.1 -57,-2.6 -2,-0.6 -11,-0.2 -0.949 27.9-110.8-132.6 139.6 24.6 3.2 28.2 70 81 A E E -B 11 0A 56 -13,-3.4 -59,-0.3 -2,-0.4 2,-0.3 -0.339 40.9-106.6 -68.6 147.5 20.9 2.4 28.6 71 82 A K - 0 0 102 -61,-4.3 2,-0.3 -2,-0.0 -1,-0.1 -0.610 43.4-171.7 -84.2 140.0 20.0 -1.2 29.0 72 83 A L - 0 0 25 -2,-0.3 2,-0.9 98,-0.1 98,-0.2 -0.874 37.7-122.3-132.9 152.4 18.3 -2.9 26.1 73 84 A D E -F 169 0C 110 96,-2.1 96,-2.8 -2,-0.3 2,-0.2 -0.899 54.2-140.6 -88.8 101.5 16.6 -6.0 24.9 74 85 A X E -F 168 0C 84 -2,-0.9 94,-0.3 94,-0.3 -3,-0.0 -0.455 6.7-129.9 -82.6 137.0 19.1 -6.6 22.1 75 86 A Y - 0 0 15 92,-2.3 2,-2.1 -2,-0.2 92,-0.3 -0.626 23.5-125.6 -74.7 135.4 18.4 -7.9 18.6 76 87 A P S S+ 0 0 47 0, 0.0 35,-2.8 0, 0.0 2,-0.4 -0.183 74.3 118.4 -76.5 48.4 20.6 -10.8 17.6 77 88 A L E -H 110 0D 3 -2,-2.1 2,-0.5 90,-0.3 90,-0.3 -0.919 52.8-165.5-124.4 139.7 21.6 -8.7 14.5 78 89 A E E -H 109 0D 34 31,-2.0 31,-1.5 -2,-0.4 2,-0.5 -0.995 25.6-162.1-111.4 116.8 24.7 -7.2 13.0 79 90 A V E -HI 108 165D 0 86,-2.5 86,-2.5 -2,-0.5 2,-0.5 -0.897 2.0-160.7-107.4 123.0 23.4 -4.8 10.3 80 91 A V E -HI 107 164D 20 27,-3.0 27,-2.9 -2,-0.5 2,-0.4 -0.913 5.8-166.7-112.8 125.5 25.8 -3.6 7.6 81 92 A V E -HI 106 163D 0 82,-2.2 82,-1.6 -2,-0.5 2,-0.4 -0.917 11.1-166.3-107.8 136.4 25.3 -0.5 5.5 82 93 A R E +HI 105 162D 7 23,-2.3 23,-2.2 -2,-0.4 80,-0.2 -0.985 27.2 164.5-133.5 127.8 27.5 -0.1 2.4 83 94 A N E S+ 0 0 14 78,-2.9 18,-2.2 -2,-0.4 2,-0.4 0.637 76.5 38.9-103.3 -30.9 28.2 2.9 0.2 84 95 A V E S-H 100 0D 12 77,-1.8 2,-0.4 16,-0.2 -1,-0.3 -0.977 91.2-104.1-130.4 136.2 31.3 1.7 -1.6 85 96 A V + 0 0 0 14,-2.6 13,-3.1 -2,-0.4 2,-0.3 -0.465 62.4 135.2 -62.2 116.9 32.2 -1.8 -2.8 86 97 A A > - 0 0 0 -2,-0.4 3,-1.6 11,-0.2 4,-0.2 -0.976 48.2 -3.7-156.1 164.9 34.7 -3.4 -0.4 87 98 A G G > S- 0 0 22 -2,-0.3 3,-1.7 1,-0.2 4,-0.3 -0.173 125.1 -0.6 53.7-131.1 35.5 -6.7 1.5 88 99 A S G > S+ 0 0 52 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.622 116.6 79.3 -73.2 -14.4 33.0 -9.5 1.2 89 100 A L G X> S+ 0 0 3 -3,-1.6 4,-1.6 1,-0.3 3,-1.2 0.790 85.5 64.7 -59.4 -26.8 30.7 -7.5 -1.1 90 101 A K G <4 S+ 0 0 88 -3,-1.7 -1,-0.3 1,-0.2 5,-0.2 0.818 98.0 54.0 -60.4 -29.2 33.2 -8.4 -3.8 91 102 A K G <4 S+ 0 0 101 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.436 114.1 41.0 -85.9 1.2 32.2 -12.0 -3.2 92 103 A R T <4 S+ 0 0 95 -3,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.634 116.3 37.1-124.9 -23.7 28.5 -11.2 -3.8 93 104 A L S < S- 0 0 67 -4,-1.6 2,-2.1 2,-0.2 -1,-0.3 -0.975 78.4-117.0-137.2 145.8 28.5 -8.7 -6.7 94 105 A P S S+ 0 0 129 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.386 74.1 117.7 -82.4 64.7 30.6 -8.5 -9.9 95 106 A L - 0 0 46 -2,-2.1 -2,-0.2 -5,-0.2 -3,-0.1 -0.991 62.4-116.3-138.3 140.4 32.1 -5.1 -9.0 96 107 A P > - 0 0 88 0, 0.0 3,-1.6 0, 0.0 2,-0.2 -0.192 45.5 -81.4 -74.6 163.3 35.7 -4.0 -8.4 97 108 A E T 3 S+ 0 0 112 1,-0.2 -11,-0.2 -13,-0.1 -12,-0.0 -0.460 115.8 25.3 -68.0 130.3 37.0 -2.6 -5.1 98 109 A G T 3 S+ 0 0 34 -13,-3.1 -1,-0.2 1,-0.3 -12,-0.1 0.269 80.2 150.4 103.0 -9.2 36.1 1.1 -4.6 99 110 A Y < - 0 0 99 -3,-1.6 -14,-2.6 -14,-0.2 2,-0.6 -0.332 47.8-124.2 -63.6 129.0 33.1 1.2 -6.8 100 111 A E E -H 84 0D 138 -16,-0.2 -16,-0.2 -2,-0.1 -1,-0.1 -0.680 23.4-133.5 -82.1 115.9 30.5 3.8 -5.7 101 112 A L E - 0 0 18 -18,-2.2 -1,-0.0 -2,-0.6 4,-0.0 -0.383 5.0-137.3 -67.8 138.3 27.1 2.2 -5.2 102 113 A P E S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.809 92.3 13.9 -71.0 -25.8 24.2 4.0 -6.7 103 114 A E E S- 0 0 134 -21,-0.1 2,-0.1 -20,-0.0 -21,-0.0 -0.968 96.2 -95.1-139.1 152.2 22.2 3.4 -3.5 104 115 A P E - 0 0 42 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.433 37.3-137.7 -67.0 148.2 23.4 2.2 -0.1 105 116 A I E -H 82 0D 58 -23,-2.2 -23,-2.3 -2,-0.1 2,-0.5 -0.904 10.0-155.6-107.3 132.2 23.1 -1.5 0.5 106 117 A V E -H 81 0D 32 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.953 12.6-175.0-106.6 124.8 21.8 -2.9 3.8 107 118 A E E -H 80 0D 12 -27,-2.9 -27,-3.0 -2,-0.5 2,-0.4 -0.943 12.4-146.4-117.2 144.9 22.8 -6.5 4.8 108 119 A L E -HJ 79 120D 6 12,-0.6 12,-2.2 -2,-0.4 2,-0.4 -0.877 13.2-172.1-112.5 139.0 21.6 -8.5 7.8 109 120 A Y E -HJ 78 119D 30 -31,-1.5 -31,-2.0 -2,-0.4 2,-0.7 -0.969 27.6-122.2-130.3 140.2 23.7 -10.9 9.7 110 121 A Y E -H 77 0D 57 8,-3.0 2,-0.9 -2,-0.4 -33,-0.2 -0.757 32.2-127.3 -80.9 116.5 22.7 -13.3 12.5 111 122 A K + 0 0 91 -35,-2.8 2,-0.2 -2,-0.7 -1,-0.0 -0.572 60.5 130.5 -71.2 106.7 24.9 -12.3 15.4 112 123 A N > > - 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0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.766 50.5-137.3 -92.4 121.8 12.2 -10.4 14.4 131 142 A S > - 0 0 44 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.307 21.0-111.5 -75.4 159.7 9.0 -9.3 12.7 132 143 A L H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.845 118.2 54.5 -55.9 -34.9 8.8 -7.7 9.3 133 144 A D H > S+ 0 0 130 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 108.4 46.5 -68.5 -43.4 7.8 -4.4 10.9 134 145 A E H > S+ 0 0 30 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.915 112.2 51.8 -59.2 -50.6 10.8 -4.3 13.2 135 146 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.922 109.1 50.0 -49.0 -52.9 13.1 -5.2 10.3 136 147 A K H X S+ 0 0 108 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.861 113.2 45.9 -60.9 -40.1 11.7 -2.4 8.2 137 148 A K H X S+ 0 0 99 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.911 111.2 52.5 -68.3 -44.2 12.3 0.1 11.0 138 149 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.925 112.1 45.6 -56.9 -47.0 15.8 -1.2 11.7 139 150 A E H X S+ 0 0 31 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.899 112.5 51.2 -64.7 -39.5 16.7 -0.8 8.0 140 151 A E H X S+ 0 0 113 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.932 111.3 46.7 -66.5 -44.3 15.2 2.7 7.9 141 152 A I H X S+ 0 0 22 -4,-2.9 4,-3.4 1,-0.2 3,-0.4 0.944 111.2 53.6 -58.4 -45.8 17.1 3.9 11.0 142 153 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.863 110.0 46.0 -58.8 -39.6 20.3 2.4 9.6 143 154 A L H X S+ 0 0 62 -4,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.738 112.5 50.4 -77.7 -24.7 20.0 4.3 6.3 144 155 A K H X S+ 0 0 54 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.910 113.9 45.2 -74.8 -48.1 19.1 7.5 8.1 145 156 A V H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 5,-0.3 0.898 110.9 55.4 -58.9 -41.9 22.2 7.0 10.3 146 157 A N H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.916 107.2 49.1 -58.0 -45.9 24.1 6.1 7.1 147 158 A E H X S+ 0 0 36 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.899 112.6 46.3 -64.0 -40.5 23.2 9.4 5.5 148 159 A I H X S+ 0 0 27 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.895 116.4 43.9 -69.4 -41.3 24.2 11.6 8.6 149 160 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.930 114.6 50.3 -68.8 -42.9 27.5 9.8 9.1 150 161 A K H X S+ 0 0 48 -4,-2.6 4,-1.6 -5,-0.3 10,-0.2 0.857 113.6 43.0 -63.9 -40.4 28.4 9.8 5.4 151 162 A D H X S+ 0 0 21 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.929 114.7 50.8 -74.1 -42.2 27.7 13.5 4.8 152 163 A Y H < S+ 0 0 59 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.889 115.3 41.4 -57.9 -44.3 29.4 14.5 8.0 153 164 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 3,-0.7 0.811 108.1 60.8 -78.7 -29.2 32.6 12.5 7.2 154 165 A A H ><5S+ 0 0 24 -4,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.824 96.0 59.6 -68.6 -35.1 32.6 13.5 3.6 155 166 A K T 3<5S+ 0 0 124 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.3 50.5 -61.8 -25.4 33.0 17.2 4.4 156 167 A K T < 5S- 0 0 62 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 -0.101 127.0 -99.6-104.5 28.6 36.2 16.3 6.2 157 168 A G T < 5S+ 0 0 24 -3,-1.5 33,-2.8 1,-0.2 2,-0.4 0.782 82.8 130.2 60.1 30.8 37.6 14.3 3.2 158 169 A I E < - 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