==== 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 3U55 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE-SUCCINOCARBOXAMIDE S . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.MANJUNATH,S.P.KANAUJIA,K.SUREKHA,J.JEYAKANTHAN,K.SEKAR . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 24.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 1 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 2 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 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 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 44 0, 0.0 16,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -30.1 3.1 -11.4 -5.0 2 13 A K E -A 16 0A 52 14,-0.3 2,-0.4 16,-0.1 14,-0.2 -0.990 360.0-156.1-141.9 148.7 1.0 -14.1 -6.8 3 14 A K E -A 15 0A 40 12,-2.8 12,-3.2 -2,-0.3 2,-0.5 -0.980 10.3-146.9-125.9 138.7 -2.2 -14.3 -8.8 4 15 A M E -A 14 0A 102 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 -0.913 13.0-172.7-107.4 127.3 -4.5 -17.4 -9.3 5 16 A I E -A 13 0A 31 8,-2.8 8,-3.3 -2,-0.5 2,-0.0 -0.946 21.0-130.7-124.9 111.0 -6.4 -17.8 -12.6 6 17 A P E +A 12 0A 116 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.295 29.4 169.0 -62.8 133.2 -9.0 -20.6 -12.9 7 18 A I - 0 0 84 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.762 64.4 -50.8-103.1 -57.3 -8.8 -23.0 -15.9 8 19 A D S S- 0 0 76 3,-2.0 -1,-0.5 0, 0.0 63,-0.0 -0.782 71.1 -63.4-156.1-157.3 -11.3 -25.7 -14.8 9 20 A D S S+ 0 0 72 -2,-0.2 3,-0.1 1,-0.2 62,-0.0 0.648 128.7 45.6 -76.4 -16.2 -12.2 -28.0 -11.9 10 21 A D S S+ 0 0 95 1,-0.2 61,-1.9 60,-0.1 2,-0.3 0.747 119.5 7.7 -98.5 -30.4 -8.9 -29.8 -12.2 11 22 A K E - B 0 70A 66 59,-0.3 -3,-2.0 48,-0.0 -4,-1.5 -0.942 51.2-172.3-151.2 164.7 -6.3 -27.1 -12.6 12 23 A L E -AB 6 69A 28 57,-2.4 57,-2.5 -2,-0.3 2,-0.5 -0.937 33.1 -95.6-151.3 173.8 -5.5 -23.4 -12.5 13 24 A I E -AB 5 68A 31 -8,-3.3 -8,-2.8 -2,-0.3 2,-0.6 -0.859 23.8-162.0 -97.9 127.8 -2.8 -20.9 -13.3 14 25 A M E -AB 4 67A 0 53,-3.1 53,-2.9 -2,-0.5 2,-0.5 -0.962 15.9-168.0-105.2 117.5 -0.5 -19.7 -10.5 15 26 A E E -AB 3 66A 84 -12,-3.2 -12,-2.8 -2,-0.6 2,-0.4 -0.916 11.9-144.1-114.3 126.9 1.2 -16.5 -11.7 16 27 A F E -A 2 0A 2 49,-2.6 -14,-0.3 -2,-0.5 2,-0.2 -0.765 19.2-161.9 -93.4 130.1 4.2 -14.9 -9.9 17 28 A K - 0 0 45 -16,-3.3 21,-0.1 -2,-0.4 22,-0.0 -0.575 29.3-119.7-108.0 169.1 4.4 -11.1 -9.9 18 29 A D S S+ 0 0 18 -2,-0.2 13,-2.8 16,-0.2 16,-0.1 0.512 76.8 114.6 -85.2 -5.4 7.2 -8.6 -9.2 19 30 A D E -D 30 0B 61 11,-0.2 2,-0.4 -18,-0.1 11,-0.2 -0.391 47.2-165.1 -68.4 139.5 5.2 -7.1 -6.2 20 31 A A E -D 29 0B 2 9,-2.9 9,-1.8 -2,-0.1 2,-0.3 -0.994 5.8-176.0-127.4 135.1 6.7 -7.4 -2.7 21 32 A T E +D 28 0B 59 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.963 5.7 172.1-127.6 147.0 4.8 -6.8 0.5 22 33 A A E > +D 27 0B 5 5,-2.1 5,-2.1 -2,-0.3 4,-0.4 -0.951 53.3 29.2-146.6 165.9 6.0 -6.8 4.1 23 34 A F T > 5S- 0 0 96 -2,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.898 130.8 -48.6 48.2 55.2 4.9 -6.0 7.7 24 35 A D T 3 5S- 0 0 120 1,-0.3 -1,-0.2 2,-0.1 92,-0.0 0.868 111.2 -49.5 56.3 44.2 1.2 -6.7 7.1 25 36 A G T 3 5S+ 0 0 36 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.286 114.0 109.0 87.4 -9.6 0.9 -4.6 3.9 26 37 A T T < 5S+ 0 0 118 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.782 73.2 55.8 -73.4 -28.8 2.6 -1.5 5.2 27 38 A K E - 0 0 46 -13,-2.8 3,-2.3 -2,-0.4 4,-0.4 -0.939 23.0-126.6-119.7 111.2 11.3 -5.7 -8.0 32 43 A K T 3 S+ 0 0 179 -2,-0.6 -2,-0.0 1,-0.3 -13,-0.0 -0.354 94.3 11.2 -62.6 117.7 11.9 -6.4 -11.7 33 44 A G T 3> S+ 0 0 8 -2,-0.2 4,-2.1 194,-0.0 -1,-0.3 0.291 90.2 114.4 99.0 -7.5 12.4 -10.1 -12.3 34 45 A K H <> S+ 0 0 0 -3,-2.3 4,-2.9 1,-0.2 5,-0.2 0.909 75.7 54.5 -61.2 -43.0 11.3 -11.3 -8.8 35 46 A G H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.917 108.5 48.4 -54.0 -48.5 8.3 -13.1 -10.3 36 47 A W H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 113.0 47.3 -60.0 -48.6 10.5 -15.0 -12.7 37 48 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.928 113.3 47.0 -59.8 -49.2 13.0 -16.1 -10.0 38 49 A N H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 143,-0.3 0.883 113.8 49.0 -62.4 -39.1 10.3 -17.1 -7.5 39 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.948 114.0 45.3 -62.2 -50.4 8.4 -19.1 -10.3 40 51 A Q H X S+ 0 0 53 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.895 114.4 47.6 -62.3 -44.9 11.6 -20.9 -11.4 41 52 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.867 109.3 53.9 -66.9 -36.5 12.8 -21.7 -7.9 42 53 A S H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.2 5,-0.2 0.942 108.8 49.6 -60.4 -47.4 9.3 -23.0 -7.0 43 54 A V H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.930 110.6 50.2 -56.0 -49.1 9.5 -25.4 -10.0 44 55 A I H X S+ 0 0 42 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.936 115.0 42.8 -55.5 -50.9 12.9 -26.6 -8.9 45 56 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 136,-0.3 -2,-0.2 0.909 113.1 51.5 -65.8 -44.1 11.8 -27.3 -5.4 46 57 A F H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.909 110.6 49.1 -57.8 -45.0 8.5 -28.9 -6.3 47 58 A K H X S+ 0 0 113 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.916 111.2 49.9 -62.4 -43.1 10.3 -31.2 -8.8 48 59 A L H X S+ 0 0 19 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.922 112.3 46.9 -59.7 -46.8 12.8 -32.2 -6.1 49 60 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.4 0.890 109.2 54.2 -64.8 -39.2 10.1 -32.9 -3.5 50 61 A E H ><5S+ 0 0 79 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.888 104.6 54.6 -61.4 -39.5 8.1 -35.0 -6.0 51 62 A E H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.3 51.9 -63.0 -29.1 11.2 -37.1 -6.7 52 63 A H T 3<5S- 0 0 91 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.190 128.4 -98.5 -93.5 14.0 11.3 -37.7 -2.9 53 64 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.631 75.0 142.3 82.1 15.5 7.6 -38.8 -2.8 54 65 A I < - 0 0 10 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.3 -0.795 49.4-131.4 -88.0 125.2 6.0 -35.6 -1.7 55 66 A K + 0 0 104 -2,-0.5 122,-2.8 120,-0.3 2,-0.3 -0.671 35.5 174.4 -75.1 121.7 2.6 -34.8 -3.3 56 67 A T B -e 177 0C 6 -2,-0.5 122,-0.2 120,-0.2 111,-0.0 -0.842 43.7-118.0-124.8 164.6 2.6 -31.2 -4.6 57 68 A H S S+ 0 0 5 120,-2.5 13,-2.5 -2,-0.3 2,-0.3 0.479 73.1 123.9 -79.0 -0.8 0.2 -29.2 -6.7 58 69 A F E +C 69 0A 32 119,-0.2 11,-0.2 11,-0.2 -2,-0.2 -0.437 20.0 154.0 -68.4 124.2 2.8 -28.7 -9.4 59 70 A I E - 0 0 87 9,-2.4 2,-0.3 1,-0.4 10,-0.2 0.732 59.2 -51.5-109.5 -54.6 1.6 -29.9 -12.9 60 71 A G E -C 68 0A 16 8,-1.9 8,-4.1 2,-0.0 -1,-0.4 -0.982 52.1 -79.7-170.0 178.1 3.7 -27.8 -15.3 61 72 A V E -C 67 0A 87 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.743 21.5-166.5 -94.7 144.9 5.0 -24.5 -16.6 62 73 A A - 0 0 29 4,-2.7 5,-0.1 -2,-0.3 3,-0.1 -0.179 54.0 -89.8-122.2 36.2 2.8 -22.2 -18.8 63 74 A G S > S+ 0 0 40 1,-0.2 3,-1.4 3,-0.2 -1,-0.3 0.398 93.7 23.8 69.6 153.4 5.5 -19.9 -20.0 64 75 A G T 3 S- 0 0 50 1,-0.2 -1,-0.2 163,-0.1 163,-0.0 -0.427 132.9 -25.7 62.2-127.8 6.8 -16.6 -18.4 65 76 A N T 3 S+ 0 0 40 -2,-0.2 -49,-2.6 -3,-0.1 2,-0.4 -0.059 109.1 115.6-106.4 28.8 6.0 -16.6 -14.7 66 77 A R E < -B 15 0A 106 -3,-1.4 -4,-2.7 -51,-0.2 2,-0.4 -0.864 41.2-172.4-110.1 131.7 3.1 -19.0 -14.9 67 78 A L E -BC 14 61A 2 -53,-2.9 -53,-3.1 -2,-0.4 2,-0.6 -0.923 21.8-133.9-114.5 144.7 2.7 -22.4 -13.4 68 79 A I E -BC 13 60A 39 -8,-4.1 -9,-2.4 -2,-0.4 -8,-1.9 -0.901 35.5-179.2 -94.7 126.0 -0.1 -24.9 -14.0 69 80 A V E -BC 12 58A 0 -57,-2.5 -57,-2.4 -2,-0.6 -11,-0.2 -0.895 30.5-100.5-129.6 152.9 -1.2 -26.3 -10.6 70 81 A E E -B 11 0A 60 -13,-2.5 -59,-0.3 -2,-0.3 2,-0.3 -0.508 38.3-116.9 -70.5 135.4 -3.8 -28.8 -9.4 71 82 A K + 0 0 116 -61,-1.9 2,-0.3 -2,-0.2 -1,-0.1 -0.599 43.1 178.1 -70.8 134.3 -7.0 -27.3 -7.9 72 83 A L - 0 0 20 -2,-0.3 2,-1.0 98,-0.1 98,-0.2 -0.939 42.4-110.6-135.2 156.0 -7.4 -28.3 -4.2 73 84 A D E -F 169 0C 129 96,-2.5 96,-2.7 -2,-0.3 2,-0.2 -0.838 54.1-137.9 -80.9 105.2 -9.7 -27.7 -1.3 74 85 A M E -F 168 0C 91 -2,-1.0 94,-0.3 94,-0.3 -3,-0.0 -0.424 3.5-130.7 -77.2 138.2 -7.3 -25.5 0.6 75 86 A Y - 0 0 15 92,-2.6 2,-2.0 -2,-0.2 92,-0.3 -0.686 23.3-124.2 -76.1 140.1 -6.6 -25.7 4.3 76 87 A P S S+ 0 0 46 0, 0.0 35,-2.7 0, 0.0 2,-0.3 -0.292 75.2 114.5 -79.8 53.9 -6.8 -22.2 6.0 77 88 A L E -H 110 0D 1 -2,-2.0 2,-0.5 90,-0.3 90,-0.3 -0.933 55.5-159.3-128.3 146.7 -3.3 -22.8 7.3 78 89 A E E -H 109 0D 43 31,-2.2 31,-2.3 -2,-0.3 2,-0.6 -1.000 22.7-158.1-114.3 125.2 0.2 -21.5 7.1 79 90 A V E -HI 108 165D 0 86,-3.2 86,-3.2 -2,-0.5 2,-0.5 -0.922 7.2-165.9-109.7 115.8 2.6 -24.2 8.3 80 91 A V E -HI 107 164D 14 27,-2.8 27,-2.7 -2,-0.6 2,-0.5 -0.898 6.1-167.0-109.0 124.9 6.0 -22.9 9.4 81 92 A V E -HI 106 163D 0 82,-2.3 82,-1.8 -2,-0.5 2,-0.4 -0.936 10.6-166.9-108.1 132.5 9.0 -25.1 10.0 82 93 A R E +HI 105 162D 7 23,-2.5 23,-2.4 -2,-0.5 80,-0.2 -0.979 25.9 163.2-129.5 127.5 12.0 -23.6 11.8 83 94 A N E S+ 0 0 15 78,-3.0 18,-2.0 -2,-0.4 2,-0.4 0.665 77.6 33.7-105.5 -32.1 15.5 -24.9 12.2 84 95 A V E S-H 100 0D 7 77,-2.0 -1,-0.3 16,-0.2 2,-0.3 -0.963 94.3-101.2-128.8 142.1 17.3 -21.7 13.3 85 96 A V + 0 0 0 14,-2.9 13,-3.0 -2,-0.4 2,-0.3 -0.494 63.9 127.3 -69.4 125.6 15.8 -18.9 15.4 86 97 A A > + 0 0 0 -2,-0.3 3,-1.3 11,-0.2 4,-0.2 -0.955 50.0 7.5-163.4 168.1 14.7 -15.9 13.3 87 98 A G G > S- 0 0 21 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.138 122.6 -2.0 57.2-136.6 11.7 -13.7 12.7 88 99 A S G > S+ 0 0 49 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.681 118.3 76.4 -65.9 -20.7 8.6 -14.0 15.0 89 100 A L G X> S+ 0 0 2 -3,-1.3 4,-2.6 1,-0.3 3,-1.9 0.835 83.6 66.5 -60.5 -32.2 10.1 -16.9 17.0 90 101 A K G <4 S+ 0 0 96 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.678 100.1 51.3 -61.2 -19.6 12.3 -14.3 18.8 91 102 A K G <4 S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.397 114.7 42.4 -96.8 0.1 9.1 -12.9 20.4 92 103 A R T <4 S+ 0 0 123 -3,-1.9 -2,-0.2 1,-0.4 -3,-0.1 0.731 120.6 31.4-113.4 -37.3 7.9 -16.4 21.5 93 104 A L S < S- 0 0 71 -4,-2.6 2,-2.8 2,-0.1 -1,-0.4 -0.984 82.6-121.1-124.5 138.0 11.1 -18.0 22.9 94 105 A P S S+ 0 0 126 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.323 70.0 126.1 -79.4 62.9 13.8 -15.9 24.6 95 106 A L - 0 0 41 -2,-2.8 -2,-0.1 -6,-0.2 2,-0.1 -0.910 60.1-110.2-123.2 147.0 16.5 -17.1 22.1 96 107 A P > - 0 0 86 0, 0.0 3,-2.4 0, 0.0 -11,-0.2 -0.417 40.3 -90.8 -77.4 151.3 18.8 -15.1 19.9 97 108 A E T 3 S+ 0 0 74 1,-0.3 -11,-0.2 -2,-0.1 3,-0.1 -0.350 118.5 30.3 -47.7 127.9 18.6 -14.8 16.1 98 109 A G T 3 S+ 0 0 34 -13,-3.0 -1,-0.3 1,-0.3 -12,-0.1 0.312 81.2 149.7 97.0 -10.4 20.8 -17.6 14.8 99 110 A Y < - 0 0 101 -3,-2.4 -14,-2.9 -14,-0.2 2,-0.6 -0.397 47.9-127.8 -58.0 128.2 20.2 -19.9 17.7 100 111 A E E -H 84 0D 140 -16,-0.2 -16,-0.2 -3,-0.1 -1,-0.1 -0.741 21.4-132.8 -82.6 115.9 20.4 -23.5 16.5 101 112 A L E - 0 0 18 -18,-2.0 -1,-0.0 -2,-0.6 4,-0.0 -0.452 6.8-133.9 -70.6 140.2 17.3 -25.4 17.5 102 113 A P E S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 0.772 92.3 -3.8 -65.7 -25.1 17.9 -28.9 19.0 103 114 A E E S- 0 0 124 -21,-0.1 -21,-0.0 -20,-0.0 0, 0.0 -0.956 98.3 -74.7-157.1 160.5 15.1 -30.1 16.7 104 115 A P E - 0 0 42 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.240 39.0-141.4 -61.3 144.6 12.8 -28.5 14.2 105 116 A I E -H 82 0D 40 -23,-2.4 -23,-2.5 2,-0.0 2,-0.5 -0.886 11.1-159.0 -99.7 136.6 9.8 -26.4 15.5 106 117 A V E -H 81 0D 35 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.982 9.9-172.8-116.2 128.5 6.5 -26.6 13.5 107 118 A E E -H 80 0D 10 -27,-2.7 -27,-2.8 -2,-0.5 2,-0.5 -0.956 12.1-148.8-120.8 139.1 4.0 -23.8 14.0 108 119 A L E -HJ 79 120D 4 12,-0.6 12,-2.7 -2,-0.4 2,-0.4 -0.921 12.3-168.5-106.8 133.1 0.4 -23.6 12.6 109 120 A Y E -HJ 78 119D 24 -31,-2.3 -31,-2.2 -2,-0.5 2,-0.6 -0.974 20.9-129.5-121.6 133.9 -1.1 -20.3 11.7 110 121 A Y E -H 77 0D 51 8,-2.9 2,-0.8 -2,-0.4 -33,-0.2 -0.737 23.2-130.6 -81.8 117.8 -4.8 -19.8 10.9 111 122 A K + 0 0 76 -35,-2.7 2,-0.2 -2,-0.6 -1,-0.0 -0.603 56.6 131.4 -73.3 106.9 -5.2 -17.9 7.6 112 123 A N > - 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0 0 8 -16,-0.2 2,-0.4 2,-0.1 -14,-0.1 -0.837 27.1-146.1-133.9 165.2 5.0 -21.6 -3.5 181 192 A I + 0 0 2 -143,-0.3 -136,-0.3 -2,-0.3 -135,-0.1 -0.906 51.8 117.6-135.2 108.4 8.6 -22.4 -2.3 182 193 A S S >> S- 0 0 0 -2,-0.4 3,-1.3 -140,-0.1 4,-1.2 -0.915 81.6 -79.0-157.2 173.8 10.8 -19.4 -2.9 183 194 A P T 34 S+ 0 0 0 0, 0.0 16,-2.4 0, 0.0 17,-0.2 0.615 126.1 63.0 -63.5 -10.8 13.0 -16.8 -1.2 184 195 A D T 34 S+ 0 0 11 14,-0.2 14,-0.1 1,-0.1 -146,-0.0 0.795 114.0 30.0 -74.0 -33.7 9.7 -15.0 -0.5 185 196 A T T <4 S+ 0 0 26 -3,-1.3 -21,-2.1 -21,-0.0 2,-0.3 0.414 118.0 57.3-110.3 -1.4 8.5 -17.9 1.7 186 197 A C E < S-K 163 0D 5 -4,-1.2 2,-0.6 -23,-0.2 13,-0.5 -0.920 71.6-129.9-126.6 151.9 11.8 -19.3 3.1 187 198 A R E -K 162 0D 30 -25,-2.8 -26,-2.3 -2,-0.3 -25,-0.8 -0.944 30.6-176.5 -98.2 122.8 14.7 -17.9 5.1 188 199 A F E -K 160 0D 1 -2,-0.6 9,-3.1 -28,-0.2 2,-0.4 -0.987 3.3-172.6-120.6 122.7 18.0 -18.7 3.4 189 200 A W E -KL 159 196D 18 -30,-2.2 -30,-3.3 -2,-0.4 7,-0.2 -0.931 32.1-109.9-114.6 140.9 21.4 -17.8 4.9 190 201 A D E > -K 158 0D 13 5,-2.3 4,-2.3 -2,-0.4 -32,-0.2 -0.475 26.1-136.9 -61.5 134.5 24.8 -18.2 3.2 191 202 A A T 4 S+ 0 0 42 -34,-2.9 -1,-0.1 2,-0.2 -33,-0.1 0.861 99.7 41.8 -65.4 -36.3 26.6 -21.0 5.1 192 203 A K T 4 S+ 0 0 107 -35,-0.4 -1,-0.2 1,-0.1 -34,-0.1 0.961 130.5 20.7 -74.0 -52.9 29.9 -19.1 5.2 193 204 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.600 87.4-133.4 -98.6 -15.0 28.7 -15.6 6.0 194 205 A K < + 0 0 113 -4,-2.3 2,-0.2 1,-0.2 -3,-0.1 0.587 54.0 149.1 68.6 12.5 25.2 -16.1 7.6 195 206 A R - 0 0 128 1,-0.1 -5,-2.3 -5,-0.1 -1,-0.2 -0.523 52.6-100.3 -83.8 148.9 23.8 -13.3 5.4 196 207 A S B +L 189 0D 5 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.1 -0.413 32.2 178.5 -70.6 131.3 20.2 -13.3 4.2 197 208 A L + 0 0 0 -9,-3.1 2,-0.2 -2,-0.2 -1,-0.1 -0.504 63.4 60.5-124.7 59.8 19.5 -14.4 0.7 198 209 A D S > S- 0 0 0 -11,-0.1 3,-2.0 -14,-0.1 4,-0.4 -0.825 109.1 -49.8-162.7-169.8 15.7 -14.0 1.0 199 210 A K T >> S+ 0 0 30 -16,-2.4 4,-2.7 -13,-0.5 3,-0.9 0.664 115.2 77.7 -59.3 -19.8 12.8 -11.6 1.6 200 211 A D H 3> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 6,-0.3 0.752 83.7 66.0 -62.7 -23.5 14.6 -10.3 4.8 201 212 A V H <4>S+ 0 0 8 -3,-2.0 5,-1.5 2,-0.2 6,-0.8 0.865 110.5 35.8 -62.9 -37.4 16.8 -8.3 2.4 202 213 A F H X45S+ 0 0 11 -3,-0.9 3,-0.6 -4,-0.4 -2,-0.2 0.891 115.6 54.7 -79.2 -45.8 13.6 -6.3 1.5 203 214 A R H 3<5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.889 126.6 20.5 -53.5 -44.1 12.1 -6.4 5.0 204 215 A F T 3<5S- 0 0 117 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.145 103.8-114.5-120.4 20.2 15.2 -4.9 6.6 205 216 A D T < 5 + 0 0 121 -3,-0.6 -3,-0.2 -4,-0.2 -4,-0.2 0.911 57.0 155.9 47.2 55.3 17.0 -3.2 3.7 206 217 A K < - 0 0 106 -5,-1.5 2,-0.3 -6,-0.3 -4,-0.1 0.530 63.3 -66.1 -87.1 -7.4 20.0 -5.5 3.9 207 218 A G S S- 0 0 53 -6,-0.8 2,-0.7 -5,-0.0 -1,-0.2 -0.990 88.2 -12.8 155.4-154.7 20.9 -4.9 0.3 208 219 A D > - 0 0 95 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.729 48.4-158.9 -87.1 112.9 19.6 -5.5 -3.3 209 220 A L H > S+ 0 0 2 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.909 91.3 50.6 -56.3 -48.8 16.7 -8.0 -3.2 210 221 A I H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 109.8 50.5 -59.9 -43.5 17.1 -9.0 -6.9 211 222 A E H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.9 49.5 -61.1 -40.0 20.8 -9.6 -6.4 212 223 A A H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 112.7 46.2 -64.4 -44.4 20.1 -11.8 -3.4 213 224 A Y H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.838 111.7 52.2 -69.3 -34.7 17.5 -13.8 -5.2 214 225 A K H X S+ 0 0 52 -4,-2.5 4,-3.2 -5,-0.2 -1,-0.2 0.897 106.1 54.6 -63.1 -42.5 19.8 -14.2 -8.3 215 226 A E H X S+ 0 0 51 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 108.9 47.7 -60.7 -45.8 22.5 -15.5 -6.0 216 227 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.942 113.6 48.0 -55.9 -50.8 20.2 -18.2 -4.7 217 228 A Y H X S+ 0 0 22 -4,-2.1 4,-3.0 1,-0.2 6,-0.4 0.903 112.9 48.0 -58.8 -45.2 19.1 -19.1 -8.2 218 229 A E H X S+ 0 0 79 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.895 111.4 49.5 -64.6 -43.6 22.8 -19.2 -9.4 219 230 A R H < S+ 0 0 65 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.855 116.9 42.1 -63.3 -37.0 23.9 -21.4 -6.5 220 231 A I H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 125.6 31.2 -76.5 -48.4 21.1 -23.8 -7.1 221 232 A T H < S- 0 0 46 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.793 94.6-130.6 -82.1 -30.3 21.2 -24.0 -10.9 222 233 A G S < S+ 0 0 71 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.1 0.547 79.3 81.9 84.3 10.6 24.9 -23.5 -11.5 223 234 A E S S- 0 0 90 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.985 85.1 -98.1-147.0 154.3 24.0 -20.8 -14.1 224 235 A K - 0 0 53 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.456 49.8 -99.6 -72.0 142.2 23.1 -17.1 -14.3 225 236 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -188,-0.0 -0.371 26.9-164.6 -66.8 139.8 19.3 -16.3 -14.7 226 237 A E 0 0 69 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.716 360.0 360.0 -96.7 -27.6 18.1 -15.5 -18.3 227 238 A F 0 0 100 -194,-0.1 -1,-0.2 -163,-0.0 -163,-0.1 -0.354 360.0 360.0 59.0 360.0 14.7 -13.9 -17.5