==== 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 AMP-BINDING PROTEIN 05-JUN-08 3DDJ . COMPND 2 MOLECULE: CBS DOMAIN-CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.8 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 . 3 1.1 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 . 1 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 . 10 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 4 1 0 1 1 0 0 3 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 . 5 2 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 -5 A N 0 0 77 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 14.8 2.2 18.2 -46.5 2 -4 A L > + 0 0 136 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.787 360.0 58.6 -75.2 -32.3 1.7 14.7 -45.0 3 -3 A Y T 3 S+ 0 0 83 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.855 112.3 43.7 -64.4 -32.1 2.3 15.4 -41.2 4 -2 A F T 3 S+ 0 0 57 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.470 105.1 67.1 -82.0 -10.1 -0.6 17.9 -41.4 5 -1 A Q < + 0 0 128 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.417 69.5 126.3-100.1 1.6 -2.6 15.5 -43.5 6 0 A G - 0 0 26 -3,-0.5 91,-0.2 -4,-0.4 3,-0.1 -0.181 67.5-126.3 -50.3 145.9 -3.1 12.9 -40.7 7 1 A X S S- 0 0 181 1,-0.1 2,-0.3 89,-0.1 -1,-0.1 0.803 81.4 -20.2 -65.8 -30.9 -6.7 11.9 -40.0 8 2 A N S > S- 0 0 20 88,-0.1 3,-2.0 89,-0.0 88,-0.3 -0.948 82.4 -68.9-166.9 177.8 -6.2 12.8 -36.4 9 3 A I G >> S+ 0 0 0 86,-3.0 4,-1.6 83,-0.3 3,-1.5 0.665 109.6 81.6 -60.6 -18.0 -4.0 13.3 -33.4 10 4 A E G 34 S+ 0 0 81 83,-0.9 -1,-0.3 85,-0.3 84,-0.1 0.802 80.6 69.6 -58.5 -26.7 -3.1 9.6 -33.3 11 5 A T G <4 S+ 0 0 67 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.853 112.8 26.4 -51.5 -36.2 -0.6 10.5 -36.1 12 6 A L T <4 S+ 0 0 14 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.661 95.8 110.0-106.9 -23.8 1.4 12.4 -33.5 13 7 A X < - 0 0 26 -4,-1.6 2,-0.5 112,-0.1 112,-0.2 -0.140 64.9-122.5 -73.1 153.9 0.8 10.8 -30.1 14 8 A I E -A 124 0A 46 110,-3.2 110,-1.7 24,-0.0 2,-0.1 -0.850 30.5-147.4 -85.9 124.1 3.0 8.7 -27.9 15 9 A K E S+A 123 0A 139 -2,-0.5 108,-0.2 1,-0.2 107,-0.0 -0.464 76.3 26.1 -86.4 161.7 1.3 5.3 -27.3 16 10 A N S S+ 0 0 152 106,-0.5 -1,-0.2 -2,-0.1 107,-0.1 0.915 79.9 178.1 51.3 45.9 1.9 3.5 -24.0 17 11 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 19,-0.1 -0.358 46.3 -75.6 -71.3 161.1 2.7 6.7 -21.9 18 12 A P - 0 0 3 0, 0.0 24,-2.3 0, 0.0 2,-0.4 -0.419 58.7-177.3 -62.7 131.7 3.4 6.1 -18.2 19 13 A I E +d 42 0B 67 22,-0.2 2,-0.3 -2,-0.1 24,-0.2 -0.979 9.3 175.6-129.1 138.8 0.1 5.5 -16.3 20 14 A L E -d 43 0B 18 22,-2.1 24,-2.4 -2,-0.4 2,-0.2 -0.924 30.1-109.7-132.3 164.0 -0.5 4.9 -12.6 21 15 A S > - 0 0 30 -2,-0.3 3,-1.4 22,-0.2 59,-0.2 -0.516 26.5-113.4 -91.0 161.7 -3.7 4.5 -10.7 22 16 A K T 3 S+ 0 0 63 1,-0.3 59,-0.9 -2,-0.2 58,-0.3 0.772 117.7 59.6 -63.3 -23.9 -5.2 6.9 -8.2 23 17 A E T 3 S+ 0 0 132 57,-0.1 -1,-0.3 56,-0.1 0, 0.0 0.574 86.7 103.2 -80.0 -12.7 -4.5 4.4 -5.4 24 18 A D S < S- 0 0 46 -3,-1.4 56,-2.7 55,-0.1 57,-0.3 -0.253 70.0-124.3 -68.6 162.3 -0.8 4.5 -6.2 25 19 A R B >> -G 79 0C 131 54,-0.2 4,-1.1 55,-0.1 3,-0.8 -0.671 22.1-108.9-108.9 159.3 1.7 6.4 -4.1 26 20 A L H 3> S+ 0 0 0 52,-2.7 4,-2.7 49,-0.5 5,-0.2 0.805 112.4 70.5 -60.4 -31.1 4.1 9.2 -5.1 27 21 A G H 3> S+ 0 0 10 49,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.919 100.8 46.3 -48.5 -47.0 7.1 6.8 -4.6 28 22 A S H <> S+ 0 0 48 -3,-0.8 4,-1.5 48,-0.3 -1,-0.2 0.851 111.0 53.4 -63.1 -37.9 6.0 4.9 -7.7 29 23 A A H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.895 102.2 56.9 -65.6 -42.8 5.5 8.2 -9.5 30 24 A F H < S+ 0 0 8 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.857 109.2 48.0 -58.4 -34.7 9.1 9.4 -8.7 31 25 A K H < S+ 0 0 157 -4,-1.3 3,-0.2 -5,-0.2 -1,-0.2 0.868 120.2 35.5 -72.0 -36.3 10.4 6.2 -10.4 32 26 A K H >< S+ 0 0 53 -4,-1.5 3,-1.9 1,-0.2 7,-0.2 0.522 86.9 98.6 -94.8 -9.1 8.2 6.5 -13.6 33 27 A I T 3< S+ 0 0 2 -4,-1.7 6,-1.0 1,-0.3 7,-0.2 0.810 88.9 39.7 -60.7 -32.6 8.1 10.3 -14.1 34 28 A N T > S+ 0 0 53 -4,-0.3 3,-2.4 -3,-0.2 -1,-0.3 0.336 82.0 136.5-100.4 10.4 10.9 10.5 -16.8 35 29 A E G X S+ 0 0 81 -3,-1.9 3,-1.6 1,-0.3 4,-0.4 -0.328 83.8 0.5 -57.0 128.7 9.8 7.3 -18.6 36 30 A G G 3 S- 0 0 73 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.565 118.6 -85.4 65.3 7.8 9.8 7.9 -22.4 37 31 A G G < S+ 0 0 64 -3,-2.4 -1,-0.3 1,-0.0 -2,-0.2 0.757 98.4 128.9 62.8 25.4 11.0 11.5 -21.6 38 32 A I < - 0 0 5 -3,-1.6 -4,-0.1 2,-0.1 -2,-0.1 0.937 52.8-153.6 -77.8 -45.6 7.4 12.5 -21.2 39 33 A G + 0 0 9 -6,-1.0 15,-1.2 -4,-0.4 2,-0.3 0.593 65.2 80.6 81.4 8.0 7.8 14.2 -17.8 40 34 A R E - E 0 53B 23 -5,-0.2 2,-0.5 13,-0.2 13,-0.2 -0.986 63.3-148.3-142.8 149.9 4.1 13.5 -16.9 41 35 A I E - E 0 52B 0 11,-2.6 11,-2.9 -2,-0.3 2,-0.3 -0.984 15.7-137.5-120.2 124.0 2.1 10.5 -15.6 42 36 A I E -dE 19 51B 0 -24,-2.3 -22,-2.1 -2,-0.5 2,-0.6 -0.640 16.4-147.0 -75.2 132.7 -1.5 9.9 -16.6 43 37 A V E +dE 20 50B 0 7,-2.8 6,-3.3 -2,-0.3 7,-1.9 -0.930 39.8 136.8-105.0 121.0 -3.5 8.8 -13.6 44 38 A A E - E 0 48B 5 -24,-2.4 4,-0.2 -2,-0.6 76,-0.1 -0.989 36.8-177.6-156.1 156.6 -6.3 6.5 -14.6 45 39 A N S S- 0 0 76 2,-1.8 3,-0.1 -2,-0.3 -1,-0.0 0.253 93.0 -29.5-118.2 -97.4 -8.1 3.3 -13.8 46 40 A E S S+ 0 0 79 1,-0.1 2,-0.3 74,-0.1 72,-0.1 0.931 143.1 30.6 -77.9 -50.5 -10.7 2.6 -16.5 47 41 A K S S- 0 0 76 73,-0.2 -2,-1.8 1,-0.1 73,-0.2 -0.700 100.3 -93.1-105.0 153.4 -11.1 6.3 -17.1 48 42 A I E +E 44 0B 16 71,-2.6 -4,-0.3 -2,-0.3 3,-0.1 -0.435 42.4 169.6 -60.7 135.7 -8.6 9.1 -16.8 49 43 A E E - 0 0 49 -6,-3.3 38,-1.4 1,-0.4 2,-0.3 0.544 56.3 -14.1-119.0 -24.4 -8.7 10.8 -13.4 50 44 A G E -EF 43 86B 0 -7,-1.9 -7,-2.8 36,-0.2 2,-0.4 -0.987 49.5-122.9-169.7 171.6 -5.7 13.1 -13.3 51 45 A L E -EF 42 85B 16 34,-2.1 34,-3.1 -2,-0.3 2,-0.7 -0.991 17.6-156.6-135.3 125.1 -2.4 14.2 -14.7 52 46 A L E -E 41 0B 0 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.2 -0.913 19.9-168.0-107.8 109.5 0.7 14.2 -12.5 53 47 A T E > -E 40 0B 28 -2,-0.7 4,-2.1 30,-0.3 -13,-0.2 -0.480 36.5-108.8 -94.4 166.6 3.3 16.6 -13.9 54 48 A T H > S+ 0 0 8 -15,-1.2 4,-2.6 1,-0.2 5,-0.2 0.920 123.2 52.5 -58.0 -43.8 6.9 17.2 -13.1 55 49 A R H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 105.2 55.3 -55.4 -45.8 5.9 20.5 -11.5 56 50 A D H 4 S+ 0 0 25 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.922 111.9 43.2 -53.2 -48.1 3.3 18.6 -9.4 57 51 A L H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.3 0.881 111.2 52.8 -71.6 -39.5 6.0 16.3 -8.1 58 52 A L H >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.817 99.0 66.5 -65.1 -29.4 8.6 19.1 -7.5 59 53 A S G >< S+ 0 0 41 -4,-2.2 3,-2.0 1,-0.2 4,-0.3 0.681 78.5 83.5 -63.1 -16.7 6.0 21.0 -5.5 60 54 A T G < S+ 0 0 8 -3,-1.2 3,-0.3 -4,-0.4 -1,-0.2 0.831 97.4 39.5 -56.8 -31.9 6.1 18.2 -2.8 61 55 A V G X S+ 0 0 9 -3,-1.2 3,-1.8 -4,-0.3 -1,-0.3 0.190 81.7 113.0-102.3 18.6 9.1 19.9 -1.2 62 56 A E T < S+ 0 0 70 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.859 82.4 42.0 -63.1 -36.7 7.8 23.5 -1.7 63 57 A S T 3 S+ 0 0 97 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.3 -0.139 103.8 83.7-102.8 35.9 7.5 24.0 2.1 64 58 A Y < 0 0 84 -3,-1.8 -3,-0.0 3,-0.1 0, 0.0 -0.928 360.0 360.0-128.5 162.3 10.8 22.3 3.1 65 59 A C 0 0 92 -2,-0.3 145,-0.1 0, 0.0 -2,-0.0 -0.829 360.0 360.0-133.6 360.0 14.4 23.5 3.3 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 63 A C 0 0 37 0, 0.0 143,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 101.5 13.5 18.1 5.1 68 64 A S > - 0 0 54 1,-0.1 4,-2.0 137,-0.1 5,-0.2 -0.265 360.0-104.5 -89.6 171.8 14.0 14.9 7.2 69 65 A Q H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.907 125.9 51.5 -54.6 -45.1 14.2 11.2 6.3 70 66 A G H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 106.4 52.8 -61.4 -41.4 10.7 11.0 7.8 71 67 A D H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 110.1 47.7 -60.6 -46.0 9.5 13.9 5.5 72 68 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.883 110.4 52.4 -64.0 -38.5 10.8 12.1 2.5 73 69 A Y H X S+ 0 0 119 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.928 108.0 51.6 -61.8 -44.5 9.2 8.9 3.5 74 70 A H H < S+ 0 0 120 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.897 109.2 49.7 -63.6 -36.5 5.9 10.6 3.9 75 71 A I H >< S+ 0 0 8 -4,-2.1 3,-1.8 1,-0.2 -49,-0.5 0.967 109.1 53.6 -58.8 -48.8 6.2 12.1 0.4 76 72 A S H 3< S+ 0 0 30 -4,-2.5 -49,-2.7 1,-0.3 -48,-0.3 0.837 113.5 41.4 -56.7 -36.3 7.0 8.5 -0.9 77 73 A T T 3< S+ 0 0 42 -4,-2.0 -1,-0.3 -51,-0.2 -2,-0.2 0.346 87.3 121.1 -96.6 4.6 3.8 7.1 0.7 78 74 A T S < S- 0 0 26 -3,-1.8 -52,-2.7 -4,-0.4 -51,-0.2 -0.520 72.3-108.7 -71.1 132.3 1.5 10.1 -0.2 79 75 A P B > -G 25 0C 39 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.355 20.9-127.1 -58.4 136.5 -1.5 9.1 -2.4 80 76 A I G >> S+ 0 0 0 -56,-2.7 4,-2.2 -58,-0.3 3,-1.6 0.855 106.2 70.1 -56.5 -32.3 -1.1 10.3 -6.0 81 77 A I G 34 S+ 0 0 89 -59,-0.9 -1,-0.3 -57,-0.3 -58,-0.1 0.759 88.0 64.8 -57.6 -23.1 -4.5 12.0 -5.7 82 78 A D G <4 S+ 0 0 99 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.721 118.2 20.8 -74.5 -21.9 -3.0 14.5 -3.3 83 79 A Y T <4 S+ 0 0 81 -3,-1.6 -30,-0.3 -4,-0.4 -2,-0.2 0.514 97.1 104.3-123.6 -15.7 -0.7 16.1 -5.9 84 80 A X S < S- 0 0 29 -4,-2.2 -32,-0.2 -32,-0.1 -42,-0.0 -0.293 76.7-113.1 -62.9 156.9 -2.2 15.1 -9.3 85 81 A T E -F 51 0B 62 -34,-3.1 -34,-2.1 0, 0.0 -1,-0.1 -0.860 40.9-144.8 -84.2 111.3 -4.0 17.7 -11.4 86 82 A P E S+F 50 0B 84 0, 0.0 -36,-0.2 0, 0.0 -37,-0.1 -0.370 71.5 17.9 -76.7 161.7 -7.6 16.3 -11.4 87 83 A N S S- 0 0 151 -38,-1.4 -37,-0.1 1,-0.1 3,-0.1 0.864 86.4-164.9 47.6 54.6 -9.9 16.5 -14.3 88 84 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.223 25.3-101.5 -70.9 157.2 -7.2 17.3 -16.8 89 85 A V + 0 0 42 14,-0.0 2,-0.3 2,-0.0 -2,-0.0 -0.631 51.8 171.9 -76.5 135.3 -7.9 18.7 -20.3 90 86 A T - 0 0 36 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.798 25.2-135.5-135.0 168.6 -7.7 15.9 -22.8 91 87 A V E -b 114 0A 10 22,-2.1 24,-2.4 -2,-0.3 2,-0.2 -0.973 26.8-110.8-126.4 151.9 -8.4 15.3 -26.5 92 88 A Y E > -b 115 0A 106 -2,-0.3 3,-2.0 22,-0.2 -83,-0.3 -0.490 24.7-120.5 -74.6 150.8 -10.1 12.4 -28.2 93 89 A N T 3 S+ 0 0 27 22,-2.1 -83,-0.9 1,-0.3 23,-0.1 0.769 114.6 55.1 -62.9 -23.0 -8.1 10.1 -30.4 94 90 A T T 3 S+ 0 0 98 -86,-0.1 -1,-0.3 -85,-0.1 2,-0.1 0.421 89.8 105.6 -88.5 -0.9 -10.4 11.0 -33.3 95 91 A S S < S- 0 0 26 -3,-2.0 -86,-3.0 1,-0.1 -85,-0.3 -0.309 73.2-100.6 -83.0 167.4 -9.7 14.7 -32.9 96 92 A D > - 0 0 68 -88,-0.3 4,-1.6 -87,-0.1 3,-0.2 -0.455 16.2-123.3 -95.0 157.7 -7.5 16.9 -35.1 97 93 A E H > S+ 0 0 15 1,-0.2 4,-2.3 -91,-0.2 5,-0.2 0.858 107.6 57.1 -66.3 -37.4 -4.0 18.1 -34.7 98 94 A F H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 104.5 51.2 -65.4 -39.5 -4.9 21.8 -35.1 99 95 A T H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 109.4 51.5 -62.6 -40.8 -7.4 21.8 -32.2 100 96 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.930 110.4 48.4 -61.0 -46.5 -4.8 20.2 -30.0 101 97 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.935 111.0 51.2 -55.8 -46.6 -2.3 22.9 -30.9 102 98 A N H X S+ 0 0 55 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.911 110.5 48.2 -61.7 -44.6 -4.9 25.6 -30.2 103 99 A I H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.956 114.2 45.8 -57.5 -49.5 -5.7 24.2 -26.8 104 100 A X H X>S+ 0 0 0 -4,-2.4 5,-1.5 -5,-0.2 4,-0.9 0.923 118.3 42.4 -65.0 -42.8 -2.0 23.9 -25.8 105 101 A V H <5S+ 0 0 21 -4,-3.0 3,-0.4 -5,-0.2 -2,-0.2 0.969 119.9 39.6 -68.8 -53.2 -1.2 27.4 -27.0 106 102 A T H <5S+ 0 0 84 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.815 126.1 34.2 -68.3 -32.2 -4.3 29.3 -25.7 107 103 A R H <5S- 0 0 133 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.415 107.1-119.4-111.0 2.4 -4.6 27.5 -22.4 108 104 A N T <5 + 0 0 114 -4,-0.9 2,-0.4 -3,-0.4 -3,-0.2 0.938 54.3 152.1 61.4 57.7 -0.9 27.0 -21.7 109 105 A F < - 0 0 71 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.955 36.6-158.2-115.3 132.7 -0.5 23.2 -21.4 110 106 A G S S+ 0 0 9 -2,-0.4 17,-1.4 1,-0.1 2,-0.3 0.535 79.3 18.6 -82.4 -7.0 2.7 21.4 -22.3 111 107 A S E - C 0 126A 9 15,-0.2 15,-0.2 16,-0.1 -1,-0.1 -0.984 59.5-154.0-155.5 154.6 0.9 18.1 -22.9 112 108 A L E - C 0 125A 0 13,-2.6 13,-2.2 -2,-0.3 -22,-0.2 -0.972 20.5-133.4-130.1 121.3 -2.6 16.7 -23.6 113 109 A P E - C 0 124A 0 0, 0.0 -22,-2.1 0, 0.0 2,-0.5 -0.458 22.5-139.1 -57.8 145.2 -3.6 13.1 -22.7 114 110 A V E -bC 91 123A 0 9,-2.7 8,-3.1 -24,-0.2 9,-1.5 -0.953 25.7-179.0-112.7 128.0 -5.4 11.5 -25.6 115 111 A V E -bC 92 121A 0 -24,-2.4 -22,-2.1 -2,-0.5 2,-0.1 -0.870 23.8-120.5-127.8 157.6 -8.4 9.4 -24.7 116 112 A D > - 0 0 32 4,-2.3 3,-2.2 -2,-0.3 -1,-0.1 -0.216 50.8 -81.5 -84.5-177.6 -10.9 7.3 -26.6 117 113 A I T 3 S+ 0 0 117 1,-0.3 -1,-0.0 2,-0.1 -25,-0.0 0.708 131.7 55.9 -62.5 -21.7 -14.7 7.9 -26.6 118 114 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 -72,-0.1 -2,-0.0 0.229 120.5-108.4 -92.1 11.9 -15.0 6.2 -23.2 119 115 A D S < S+ 0 0 56 -3,-2.2 -71,-2.6 1,-0.3 -2,-0.1 0.692 71.2 146.0 70.1 20.7 -12.4 8.5 -21.7 120 116 A K - 0 0 99 -73,-0.2 -4,-2.3 -76,-0.1 -1,-0.3 -0.767 55.0-112.7 -87.1 130.9 -9.8 5.7 -21.5 121 117 A P E + C 0 115A 8 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.385 42.1 165.1 -67.4 136.0 -6.3 7.0 -22.0 122 118 A V E - 0 0 35 -8,-3.1 -106,-0.5 1,-0.3 2,-0.3 0.402 62.3 -33.9-122.8 -8.8 -4.7 5.8 -25.3 123 119 A G E -AC 15 114A 0 -9,-1.5 -9,-2.7 -108,-0.2 -1,-0.3 -0.986 53.2-112.3 176.8-170.9 -1.7 8.1 -25.5 124 120 A I E -AC 14 113A 1 -110,-1.7 -110,-3.2 -2,-0.3 2,-0.4 -0.989 10.0-153.2-150.8 143.4 -0.3 11.6 -24.9 125 121 A V E + C 0 112A 0 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.2 -0.985 18.7 179.5-114.6 136.6 0.9 14.5 -27.1 126 122 A T E >> - C 0 111A 7 -2,-0.4 3,-0.9 -15,-0.2 4,-0.6 -0.740 48.4 -90.5-122.0 174.0 3.6 16.9 -25.8 127 123 A E H >> S+ 0 0 6 -17,-1.4 3,-1.3 -2,-0.2 4,-0.5 0.876 122.5 63.9 -50.3 -41.8 5.3 20.0 -27.3 128 124 A R H >4 S+ 0 0 77 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.850 93.8 59.4 -56.2 -36.3 8.0 17.6 -28.7 129 125 A E H <4 S+ 0 0 29 -3,-0.9 3,-0.5 1,-0.3 -1,-0.3 0.700 100.0 55.9 -69.8 -22.8 5.6 15.7 -31.0 130 126 A F H X< S+ 0 0 3 -3,-1.3 3,-1.2 -4,-0.6 4,-0.4 0.576 83.7 83.7 -86.6 -10.0 4.5 18.8 -32.9 131 127 A L G X< S+ 0 0 5 -3,-1.2 3,-1.3 -4,-0.5 4,-0.2 0.812 81.4 65.0 -59.4 -32.0 8.1 19.7 -33.9 132 128 A L G > S+ 0 0 55 -3,-0.5 3,-1.7 -4,-0.4 4,-0.4 0.765 84.5 73.6 -62.5 -26.1 7.8 17.2 -36.8 133 129 A L G X S+ 0 0 0 -3,-1.2 3,-0.8 1,-0.3 -1,-0.2 0.776 83.6 69.4 -62.2 -22.0 5.1 19.4 -38.4 134 130 A Y G X S+ 0 0 6 -3,-1.3 3,-1.4 -4,-0.4 -1,-0.3 0.730 81.2 73.2 -69.2 -19.8 7.9 21.9 -39.4 135 131 A K G < S+ 0 0 147 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.897 100.9 44.6 -59.8 -37.9 9.3 19.4 -41.9 136 132 A D G < S+ 0 0 56 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 0.324 101.4 93.4 -86.8 4.3 6.3 20.2 -44.2 137 133 A L S < S- 0 0 19 -3,-1.4 2,-0.1 -4,-0.1 -3,-0.0 -0.739 75.2-112.9-108.5 151.0 6.4 24.0 -43.8 138 134 A D - 0 0 101 -2,-0.3 2,-1.2 1,-0.1 3,-0.2 -0.371 41.7-103.3 -59.2 151.1 7.9 26.9 -45.6 139 135 A E + 0 0 130 1,-0.2 -1,-0.1 -2,-0.1 91,-0.0 -0.715 63.8 147.6 -80.6 92.9 10.6 28.8 -43.7 140 136 A I + 0 0 63 -2,-1.2 -1,-0.2 1,-0.2 90,-0.0 0.870 51.3 39.6 -98.6 -47.5 8.5 31.8 -42.7 141 137 A F - 0 0 44 -3,-0.2 90,-2.7 3,-0.0 91,-0.3 -0.885 67.4-134.3-118.6 138.4 9.9 33.0 -39.3 142 138 A P B >> -H 230 0D 37 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.530 31.3-111.4 -82.2 157.3 13.3 33.4 -37.8 143 139 A V H >> S+ 0 0 0 86,-2.9 4,-1.8 83,-0.3 3,-1.1 0.860 112.9 71.2 -50.1 -40.2 14.2 32.3 -34.3 144 140 A K H 34 S+ 0 0 116 83,-3.0 -1,-0.3 85,-0.3 84,-0.1 0.802 92.3 55.5 -49.3 -36.4 14.5 36.0 -33.3 145 141 A V H <4 S+ 0 0 87 -3,-1.6 -1,-0.2 82,-0.2 -2,-0.2 0.842 119.2 29.2 -70.6 -32.5 10.8 36.6 -33.6 146 142 A F H << S+ 0 0 30 -3,-1.1 114,-0.2 -4,-0.7 -2,-0.2 0.488 94.1 103.5-110.3 -4.8 9.8 33.9 -31.1 147 143 A X S < S- 0 0 21 -4,-1.8 2,-0.4 112,-0.1 112,-0.2 -0.407 70.5-121.3 -75.3 154.8 12.8 33.6 -28.7 148 144 A S B -I 258 0E 59 110,-2.9 110,-1.9 1,-0.1 3,-0.1 -0.841 24.7-173.2 -92.2 136.7 12.6 35.1 -25.2 149 145 A T + 0 0 89 -2,-0.4 2,-1.3 108,-0.2 -1,-0.1 0.573 67.6 72.6-109.3 -10.3 15.2 37.8 -24.5 150 146 A K S S- 0 0 194 108,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.600 78.6-168.3-100.9 76.2 15.0 38.8 -20.8 151 147 A V - 0 0 30 -2,-1.3 2,-0.5 105,-0.2 104,-0.1 -0.497 19.4-139.6 -83.1 127.5 16.5 35.5 -19.8 152 148 A Q + 0 0 55 -2,-0.3 2,-0.2 18,-0.0 -1,-0.1 -0.713 32.4 176.0 -77.7 121.2 16.5 34.4 -16.2 153 149 A T - 0 0 29 -2,-0.5 2,-0.3 22,-0.2 24,-0.2 -0.639 18.1-146.4-117.1 177.1 19.8 32.8 -15.4 154 150 A I E -l 177 0F 15 22,-1.6 24,-2.6 -2,-0.2 2,-0.1 -0.994 24.7-105.8-145.5 148.3 21.4 31.4 -12.3 155 151 A Y E > -l 178 0F 82 -2,-0.3 3,-1.8 22,-0.2 59,-0.2 -0.444 32.4-119.5 -77.7 144.0 25.0 31.2 -11.0 156 152 A K T 3 S+ 0 0 61 22,-2.3 59,-2.3 1,-0.3 60,-0.2 0.672 107.8 52.1 -62.5 -22.7 26.7 27.8 -11.2 157 153 A E T 3 S+ 0 0 72 57,-0.2 -1,-0.3 56,-0.1 3,-0.1 0.449 81.5 120.6 -94.2 1.8 27.4 27.4 -7.5 158 154 A V S < S- 0 0 38 -3,-1.8 56,-3.2 1,-0.1 57,-0.2 -0.347 73.7 -98.2 -67.8 140.5 23.7 28.0 -6.4 159 155 A R B >> -O 213 0G 144 54,-0.3 4,-1.9 1,-0.1 3,-0.6 -0.346 23.6-128.1 -59.1 136.5 21.9 25.3 -4.5 160 156 A L H 3> S+ 0 0 0 52,-2.8 4,-2.4 49,-0.3 5,-0.2 0.853 107.8 59.2 -55.3 -40.1 19.6 23.0 -6.6 161 157 A D H 3> S+ 0 0 15 51,-0.4 4,-2.1 48,-0.4 -1,-0.2 0.890 107.2 47.8 -60.2 -35.6 16.6 23.6 -4.2 162 158 A Q H <> S+ 0 0 90 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.887 108.2 54.2 -69.9 -39.8 16.9 27.3 -4.9 163 159 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 109.0 49.9 -55.1 -45.0 17.1 26.7 -8.6 164 160 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.924 107.2 53.0 -63.3 -47.2 13.8 24.7 -8.3 165 161 A K H X S+ 0 0 108 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.930 111.2 47.3 -53.3 -45.2 12.0 27.4 -6.4 166 162 A L H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 6,-0.2 0.913 111.2 50.0 -66.4 -43.7 12.9 29.9 -9.0 167 163 A X H X>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 4,-1.1 0.931 114.1 44.6 -58.6 -50.8 11.8 27.7 -11.9 168 164 A L H <5S+ 0 0 27 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.900 113.4 52.1 -60.9 -39.9 8.5 26.9 -10.3 169 165 A R H <5S+ 0 0 181 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.905 118.4 34.1 -64.2 -46.9 7.9 30.6 -9.4 170 166 A R H <5S- 0 0 110 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.502 109.3-119.1 -90.6 -4.4 8.6 32.0 -12.8 171 167 A G T <5 + 0 0 50 -4,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.855 63.3 140.9 69.5 37.9 7.0 29.0 -14.7 172 168 A F < - 0 0 75 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.891 46.3-155.9-110.3 144.1 10.2 28.0 -16.6 173 169 A R S S+ 0 0 81 -2,-0.4 17,-2.4 1,-0.2 2,-0.3 0.575 81.0 29.5 -83.3 -16.1 11.3 24.5 -17.2 174 170 A R E - M 0 189F 36 15,-0.2 15,-0.2 16,-0.1 -1,-0.2 -0.999 57.2-162.4-152.2 142.6 15.0 25.5 -17.7 175 171 A L E - M 0 188F 0 13,-2.9 13,-2.7 -2,-0.3 -22,-0.2 -0.977 25.6-127.2-128.6 120.3 17.4 28.1 -16.5 176 172 A P E - M 0 187F 1 0, 0.0 -22,-1.6 0, 0.0 2,-0.4 -0.389 27.8-133.6 -61.0 144.2 20.7 28.9 -18.3 177 173 A V E -lM 154 186F 0 9,-2.9 8,-2.6 -24,-0.2 9,-1.0 -0.846 21.6-163.3-105.0 135.2 23.6 28.7 -15.8 178 174 A I E -lM 155 184F 22 -24,-2.6 -22,-2.3 -2,-0.4 6,-0.2 -0.789 6.1-145.5-119.3 160.2 26.3 31.4 -15.8 179 175 A D > - 0 0 37 4,-1.6 3,-1.8 -2,-0.3 -1,-0.1 -0.279 49.8 -68.6-103.4-165.9 29.9 31.7 -14.4 180 176 A D T 3 S+ 0 0 126 1,-0.3 -25,-0.0 2,-0.1 -2,-0.0 0.697 133.7 47.1 -59.8 -25.7 31.8 34.6 -12.9 181 177 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.103 118.3-108.5-106.0 20.5 32.0 36.4 -16.2 182 178 A N S < S+ 0 0 75 -3,-1.8 73,-0.4 1,-0.2 2,-0.3 0.694 72.0 145.7 59.0 20.4 28.3 35.9 -16.9 183 179 A K - 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