==== 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 TRANSFERASE 22-MAY-96 1LEO . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR J.JANIN,Y.XU,M.VERON . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 13.3 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 2 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 1 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 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 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 6 A V > 0 0 139 0, 0.0 80,-0.7 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 147.4 -25.3 48.7 8.0 2 7 A N T 3 + 0 0 56 1,-0.2 78,-0.2 78,-0.2 76,-0.0 -0.089 360.0 83.0 -87.4 29.7 -23.9 48.0 11.5 3 8 A K T 3 + 0 0 99 76,-0.1 2,-0.3 75,-0.1 -1,-0.2 0.085 62.3 124.4-116.5 12.9 -26.4 45.2 12.2 4 9 A E < - 0 0 50 -3,-0.6 75,-2.5 75,-0.3 2,-0.3 -0.604 42.5-168.2 -76.9 136.1 -24.3 42.8 10.3 5 10 A R E -A 78 0A 45 -2,-0.3 2,-0.3 73,-0.2 73,-0.2 -0.902 6.2-166.9-125.3 153.5 -23.3 39.7 12.4 6 11 A T E -A 77 0A 0 71,-2.1 71,-0.8 -2,-0.3 2,-0.5 -0.856 18.4-124.1-134.3 167.2 -20.8 37.0 11.8 7 12 A F E +A 76 0A 0 -2,-0.3 112,-2.1 69,-0.2 2,-0.3 -0.981 27.4 174.5-119.0 131.0 -20.2 33.7 13.3 8 13 A L E -AB 75 118A 0 67,-2.7 67,-2.8 -2,-0.5 2,-0.4 -0.968 8.8-168.4-131.6 144.8 -16.8 32.7 14.8 9 14 A A E -AB 74 117A 0 108,-1.7 108,-2.5 -2,-0.3 2,-0.8 -0.999 20.5-140.0-137.5 127.0 -15.8 29.5 16.6 10 15 A V E -AB 73 116A 0 63,-3.0 63,-1.5 -2,-0.4 106,-0.3 -0.839 35.8-140.2 -85.1 113.8 -12.6 29.0 18.5 11 16 A K > - 0 0 16 104,-2.9 4,-2.5 -2,-0.8 5,-0.3 -0.129 29.5 -83.0 -67.6 179.0 -12.0 25.4 17.5 12 17 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.803 128.3 49.5 -57.2 -36.0 -10.6 22.8 19.9 13 18 A D H > S+ 0 0 21 2,-0.2 4,-1.3 3,-0.2 6,-0.2 0.901 110.8 50.0 -69.9 -41.4 -7.0 23.7 19.5 14 19 A G H >4>S+ 0 0 0 101,-0.4 5,-2.2 2,-0.2 3,-0.8 0.971 116.0 42.6 -61.8 -49.9 -7.7 27.4 20.1 15 20 A V H ><5S+ 0 0 25 -4,-2.5 3,-1.5 1,-0.2 5,-0.2 0.935 115.7 48.9 -61.4 -45.3 -9.6 26.6 23.2 16 21 A A H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.592 108.4 53.0 -73.2 -11.5 -7.1 24.1 24.4 17 22 A R T <<5S- 0 0 136 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.331 118.4-109.6-102.1 6.9 -4.2 26.4 23.8 18 23 A G T < 5S+ 0 0 60 -3,-1.5 4,-0.4 -4,-0.3 3,-0.3 0.719 76.5 133.2 73.2 31.8 -5.8 29.1 25.9 19 24 A L >< + 0 0 15 -5,-2.2 4,-2.1 -6,-0.2 5,-0.2 0.366 40.3 94.9 -93.9 1.9 -6.6 31.5 23.1 20 25 A V H > S+ 0 0 34 -6,-0.3 4,-2.3 -5,-0.2 5,-0.3 0.937 85.2 43.3 -62.7 -49.8 -10.1 32.2 24.0 21 26 A G H > S+ 0 0 50 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.893 113.5 53.4 -64.1 -40.5 -9.6 35.4 26.0 22 27 A E H > S+ 0 0 82 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.916 110.6 45.9 -58.2 -47.9 -7.2 36.8 23.4 23 28 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.5 0.972 114.2 45.0 -64.3 -53.9 -9.6 36.3 20.5 24 29 A I H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.916 112.0 54.1 -57.1 -43.7 -12.7 37.7 22.1 25 30 A A H X S+ 0 0 31 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.3 0.887 103.3 57.3 -58.2 -37.4 -10.6 40.6 23.4 26 31 A R H X S+ 0 0 38 -4,-1.8 4,-1.3 -3,-0.5 -1,-0.2 0.904 110.6 42.2 -63.9 -40.4 -9.4 41.4 19.9 27 32 A Y H X>S+ 0 0 0 -4,-1.5 5,-1.3 1,-0.2 4,-0.8 0.821 110.6 55.9 -75.8 -33.7 -12.8 41.8 18.5 28 33 A E H ><5S+ 0 0 117 -4,-2.3 3,-0.6 -5,-0.2 -2,-0.2 0.916 109.0 48.9 -63.9 -37.9 -14.0 43.7 21.6 29 34 A K H 3<5S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.4 57.6 -63.2 -42.5 -11.1 46.3 20.9 30 35 A K H 3<5S- 0 0 116 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.687 123.2-109.3 -61.0 -23.8 -12.0 46.6 17.3 31 36 A G T <<5 + 0 0 13 -4,-0.8 114,-0.3 -3,-0.6 -3,-0.2 0.296 67.4 143.5 111.9 -7.5 -15.4 47.7 18.5 32 37 A F < - 0 0 14 -5,-1.3 2,-0.5 1,-0.1 -1,-0.3 -0.353 47.8-123.1 -68.8 142.8 -17.7 44.8 17.7 33 38 A V E -C 78 0A 33 45,-2.2 45,-1.5 -2,-0.1 2,-0.4 -0.731 16.0-126.7 -95.3 125.6 -20.5 43.9 20.0 34 39 A L E +C 77 0A 51 -2,-0.5 43,-0.2 43,-0.2 3,-0.1 -0.499 35.6 167.1 -70.1 116.6 -20.7 40.4 21.5 35 40 A V E + 0 0 6 41,-2.9 104,-0.9 -2,-0.4 2,-0.3 0.781 63.5 15.3-100.8 -37.5 -24.2 39.2 20.7 36 41 A G E +C 76 0A 3 40,-1.6 40,-1.9 102,-0.2 -1,-0.3 -0.998 61.3 170.8-141.1 144.1 -24.0 35.4 21.5 37 42 A L E +C 75 0A 82 -2,-0.3 2,-0.3 100,-0.3 38,-0.2 -0.946 9.3 147.6-156.2 128.1 -21.4 33.3 23.4 38 43 A K E -C 74 0A 43 36,-2.2 36,-2.8 -2,-0.3 2,-0.5 -0.952 34.2-138.3-162.3 135.0 -21.3 29.7 24.5 39 44 A Q E +C 73 0A 123 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.888 40.9 149.9 -95.1 133.0 -18.8 26.9 25.0 40 45 A L E -C 72 0A 41 32,-2.8 32,-3.7 -2,-0.5 30,-0.1 -0.945 49.4-115.2-153.6 162.6 -20.1 23.6 23.8 41 46 A V - 0 0 93 -2,-0.3 27,-0.1 30,-0.3 26,-0.1 -0.941 44.1-123.0-103.0 114.8 -18.7 20.3 22.3 42 47 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.321 21.6-131.7 -61.7 148.5 -20.1 20.1 18.9 43 48 A T > - 0 0 71 1,-0.1 4,-2.9 0, 0.0 3,-0.4 -0.686 24.5-104.6 -97.5 154.2 -22.2 17.0 18.0 44 49 A K H > S+ 0 0 142 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.892 119.8 45.2 -41.5 -56.9 -21.7 14.9 14.9 45 50 A D H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.880 113.8 49.3 -63.0 -34.4 -24.8 16.2 13.1 46 51 A L H > S+ 0 0 19 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.876 113.7 46.1 -70.3 -41.2 -24.0 19.9 14.0 47 52 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.899 114.7 46.8 -65.4 -45.0 -20.5 19.5 12.8 48 53 A E H < S+ 0 0 78 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.798 113.1 50.6 -66.3 -33.5 -21.7 17.7 9.6 49 54 A S H >< S+ 0 0 54 -4,-2.3 3,-1.6 -5,-0.3 4,-0.3 0.983 113.2 45.7 -65.6 -54.9 -24.3 20.4 9.2 50 55 A H H 3< S+ 0 0 2 -4,-3.0 3,-0.3 1,-0.3 -2,-0.2 0.808 117.7 41.6 -57.2 -40.1 -21.5 23.1 9.6 51 56 A Y T >< S+ 0 0 24 -4,-2.5 3,-1.7 1,-0.2 4,-0.4 0.006 80.3 122.3-102.1 32.6 -19.0 21.4 7.2 52 57 A A G X + 0 0 23 -3,-1.6 3,-3.7 1,-0.3 4,-0.4 0.960 60.6 67.1 -56.5 -57.0 -21.8 20.6 4.8 53 58 A E G 3 S+ 0 0 89 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.622 108.4 40.6 -43.9 -13.5 -20.2 22.5 2.0 54 59 A H G X S+ 0 0 47 -3,-1.7 3,-3.4 -6,-0.2 -1,-0.3 0.479 78.0 108.0-117.5 0.1 -17.5 19.8 2.1 55 60 A K T < S+ 0 0 131 -3,-3.7 -2,-0.1 -4,-0.4 -1,-0.1 0.648 80.2 54.7 -53.1 -20.5 -19.5 16.7 2.6 56 61 A E T 3 S+ 0 0 159 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.597 97.6 87.0 -89.8 -7.9 -18.8 15.6 -0.9 57 62 A R S X S- 0 0 116 -3,-3.4 3,-0.9 1,-0.1 4,-0.3 -0.466 81.2-127.0 -89.8 157.9 -15.1 15.9 -0.3 58 63 A P T > S+ 0 0 127 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.923 108.7 54.7 -66.6 -45.6 -12.7 13.3 1.1 59 64 A F T 3> S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 -4,-0.1 0.053 81.6 91.5 -77.5 18.6 -11.3 15.7 3.8 60 65 A F H <> S+ 0 0 27 -3,-0.9 4,-2.0 -6,-0.2 -1,-0.2 0.783 79.6 60.5 -78.8 -36.4 -14.9 16.3 5.2 61 66 A G H <> S+ 0 0 42 -3,-1.1 4,-3.0 -4,-0.3 -2,-0.2 0.952 104.2 47.8 -55.1 -52.6 -14.5 13.5 7.6 62 67 A G H > S+ 0 0 47 -4,-0.3 4,-2.2 1,-0.2 5,-0.3 0.976 108.3 55.8 -51.6 -61.7 -11.5 15.1 9.3 63 68 A L H X S+ 0 0 38 -4,-1.2 4,-2.1 1,-0.3 -1,-0.2 0.800 113.3 40.2 -33.3 -58.1 -13.3 18.4 9.5 64 69 A V H X S+ 0 0 8 -4,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.939 112.4 54.5 -64.1 -49.8 -16.1 16.9 11.4 65 70 A S H >< S+ 0 0 84 -4,-3.0 3,-0.8 -5,-0.2 4,-0.3 0.950 114.7 41.1 -48.9 -59.6 -14.0 14.6 13.6 66 71 A F H >< S+ 0 0 30 -4,-2.2 3,-3.7 1,-0.3 4,-0.4 0.962 107.4 56.9 -54.1 -67.0 -11.9 17.5 14.8 67 72 A I H 3< S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.759 117.3 39.2 -42.2 -24.6 -14.5 20.1 15.4 68 73 A T T << S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.368 90.8 88.8-108.1 0.7 -16.2 17.5 17.7 69 74 A S S < S- 0 0 79 -3,-3.7 -1,-0.2 -4,-0.3 -2,-0.2 0.426 103.5 -4.3 -77.0 -1.0 -13.1 16.2 19.3 70 75 A G S S- 0 0 12 -4,-0.4 -1,-0.1 -3,-0.3 -30,-0.1 -0.949 94.5 -53.9-177.6 167.9 -13.3 18.9 22.0 71 76 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -30,-0.3 -0.053 44.9-161.8 -55.9 150.5 -15.1 22.0 23.3 72 77 A V E - C 0 40A 0 -32,-3.7 -32,-2.8 -57,-0.1 2,-0.7 -0.971 14.7-137.9-135.2 141.0 -15.5 24.9 21.0 73 78 A V E -AC 10 39A 11 -63,-1.5 -63,-3.0 -2,-0.4 2,-0.3 -0.954 26.3-165.8-104.8 110.2 -16.3 28.4 22.0 74 79 A A E +AC 9 38A 0 -36,-2.8 -36,-2.2 -2,-0.7 2,-0.3 -0.783 13.1 166.6 -97.2 145.0 -18.9 29.8 19.6 75 80 A M E -AC 8 37A 0 -67,-2.8 -67,-2.7 -2,-0.3 2,-0.4 -0.996 28.2-145.7-158.2 156.7 -19.8 33.4 19.3 76 81 A V E -AC 7 36A 0 -40,-1.9 -41,-2.9 -2,-0.3 -40,-1.6 -0.994 16.9-169.7-127.3 119.9 -21.5 35.9 17.2 77 82 A F E -AC 6 34A 0 -71,-0.8 -71,-2.1 -2,-0.4 2,-0.4 -0.843 6.0-156.2-108.3 150.9 -20.3 39.6 16.9 78 83 A E E +AC 5 33A 2 -45,-1.5 -45,-2.2 -2,-0.3 2,-0.3 -0.978 33.4 106.4-130.0 137.4 -22.2 42.5 15.2 79 84 A G S > S- 0 0 1 -75,-2.5 3,-1.8 -2,-0.4 -75,-0.3 -0.950 72.2 -43.0 173.1 174.9 -20.9 45.7 13.7 80 85 A K T 3 S- 0 0 133 -2,-0.3 -78,-0.2 1,-0.3 5,-0.1 -0.389 125.3 -12.1 -62.3 124.9 -20.3 47.5 10.5 81 86 A G T 3> S+ 0 0 26 -80,-0.7 4,-2.4 -2,-0.1 -1,-0.3 0.774 86.1 156.9 51.6 36.9 -18.8 45.0 8.0 82 87 A V H <> + 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.907 67.6 53.1 -61.0 -41.5 -18.2 42.6 10.8 83 88 A V H > S+ 0 0 4 -4,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.899 112.8 44.6 -61.0 -42.1 -18.1 39.5 8.4 84 89 A A H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.934 117.6 42.8 -65.0 -52.3 -15.5 41.2 6.3 85 90 A S H >X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 3,-0.7 0.964 105.8 60.1 -59.7 -58.7 -13.3 42.4 9.1 86 91 A A H 3X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.3 -1,-0.2 0.865 106.9 48.4 -42.1 -42.0 -13.4 39.4 11.2 87 92 A R H 3X S+ 0 0 92 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.3 0.923 109.7 51.7 -65.6 -44.2 -11.9 37.4 8.4 88 93 A L H << S+ 0 0 138 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.931 112.9 46.3 -56.7 -44.4 -9.2 40.1 8.0 89 94 A M H < S+ 0 0 37 -4,-2.5 14,-2.8 1,-0.2 -2,-0.2 0.848 111.3 52.3 -66.4 -38.7 -8.5 39.8 11.7 90 95 A I H < S- 0 0 2 -4,-2.7 14,-2.5 -5,-0.3 15,-0.2 0.835 102.6-138.4 -72.0 -32.2 -8.4 36.0 11.6 91 96 A G < - 0 0 17 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.1 -0.646 29.3 -45.7 107.2-171.1 -6.0 35.6 8.8 92 97 A V - 0 0 74 2,-0.3 6,-0.1 -2,-0.2 12,-0.1 -0.223 61.8 -91.6 -90.3-170.5 -5.7 33.3 5.7 93 98 A T S S+ 0 0 92 1,-0.1 2,-0.8 -2,-0.1 3,-0.1 0.940 113.2 61.1 -72.5 -42.3 -6.2 29.6 5.5 94 99 A N S >> S- 0 0 66 1,-0.2 3,-1.6 14,-0.0 4,-0.7 -0.743 74.5-153.2 -87.7 113.9 -2.6 28.7 6.1 95 100 A S G >4 S+ 0 0 1 15,-1.1 3,-1.9 -2,-0.8 13,-0.2 0.906 91.3 62.3 -55.4 -40.3 -1.6 30.0 9.5 96 101 A L G 34 S+ 0 0 119 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.739 107.9 40.8 -56.1 -31.2 2.0 30.2 8.4 97 102 A A G <4 S+ 0 0 68 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.399 88.0 109.4 -98.1 -5.2 1.3 32.8 5.7 98 103 A S S << S- 0 0 9 -3,-1.9 3,-0.1 -4,-0.7 -7,-0.1 -0.510 78.5-108.5 -69.3 144.0 -1.2 34.7 7.8 99 104 A A > - 0 0 60 -2,-0.2 3,-2.4 1,-0.1 6,-0.4 -0.571 31.2 -93.0 -82.7 151.4 0.4 38.0 8.6 100 105 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.189 115.2 43.2 -56.0 135.5 1.7 39.1 12.0 101 106 A G T 3 S+ 0 0 54 1,-0.5 2,-0.3 2,-0.1 3,-0.1 0.022 94.5 99.7 111.9 -24.1 -1.1 40.9 13.7 102 107 A S S <> S- 0 0 11 -3,-2.4 4,-2.5 1,-0.1 -1,-0.5 -0.687 84.5-113.7 -94.8 157.1 -3.7 38.5 12.6 103 108 A I H >> S+ 0 0 0 -14,-2.8 4,-2.1 -2,-0.3 3,-0.7 0.934 116.9 36.5 -51.2 -66.3 -5.0 35.8 14.8 104 109 A R H 3> S+ 0 0 20 -14,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.817 115.5 55.6 -59.6 -29.5 -3.6 32.9 12.8 105 110 A G H 34 S+ 0 0 23 -6,-0.4 -1,-0.2 -15,-0.2 -2,-0.2 0.873 113.0 41.0 -71.7 -31.0 -0.4 34.8 11.9 106 111 A D H << S+ 0 0 69 -4,-2.5 -2,-0.2 -3,-0.7 -3,-0.1 0.895 137.5 9.9 -78.8 -45.3 0.4 35.4 15.6 107 112 A F H < S+ 0 0 53 -4,-2.1 2,-0.2 -5,-0.3 -3,-0.2 0.503 105.3 96.7-112.8 -16.6 -0.6 32.1 17.1 108 113 A G < + 0 0 11 -4,-1.5 6,-0.1 -5,-0.5 3,-0.1 -0.550 27.2 156.2 -81.5 152.8 -1.2 29.7 14.2 109 114 A V + 0 0 107 4,-0.6 2,-0.2 -2,-0.2 -13,-0.1 0.457 62.4 44.2-146.9 -18.8 1.3 27.3 12.7 110 115 A D - 0 0 74 3,-1.0 -15,-1.1 1,-0.1 -1,-0.2 -0.603 66.8-135.9-118.0-174.7 -0.6 24.5 10.8 111 116 A V S S+ 0 0 67 -2,-0.2 3,-0.2 -17,-0.2 -1,-0.1 0.637 104.6 51.4-115.1 -33.1 -3.5 24.8 8.5 112 117 A G S S+ 0 0 35 1,-0.3 2,-0.9 2,-0.1 -18,-0.0 0.912 116.4 43.2 -69.6 -43.7 -5.5 21.9 9.9 113 118 A R S S+ 0 0 128 1,-0.1 -3,-1.0 -100,-0.1 -4,-0.6 -0.911 71.1 147.0-104.8 93.1 -5.1 23.4 13.3 114 119 A N - 0 0 12 -2,-0.9 2,-2.7 -3,-0.2 -1,-0.1 -0.008 52.0-131.1-121.0 33.5 -5.8 27.0 12.5 115 120 A I S S+ 0 0 0 -8,-0.1 -104,-2.9 -105,-0.1 -101,-0.4 -0.215 71.3 46.2 56.6 -49.1 -7.5 28.0 15.9 116 121 A I E -B 10 0A 1 -2,-2.7 2,-0.4 -106,-0.3 -106,-0.2 -0.868 55.9-148.5-133.5 158.4 -10.6 29.8 14.6 117 122 A H E -B 9 0A 26 -108,-2.5 -108,-1.7 -2,-0.3 2,-0.3 -0.967 14.6-179.9-123.2 143.6 -13.5 29.8 12.3 118 123 A G E -B 8 0A 6 -2,-0.4 -110,-0.2 -110,-0.2 7,-0.0 -0.993 39.8-102.8-139.4 135.4 -15.2 32.8 10.8 119 124 A S - 0 0 0 -112,-2.1 -32,-0.1 -2,-0.3 6,-0.1 -0.419 29.6-143.3 -54.2 136.8 -18.2 32.7 8.4 120 125 A D S S+ 0 0 86 1,-0.1 2,-0.3 -33,-0.0 -1,-0.1 0.650 75.6 9.8 -81.2 -12.6 -16.7 33.4 4.9 121 126 A S S > S- 0 0 30 1,-0.0 4,-2.5 0, 0.0 -1,-0.1 -0.960 82.2-101.3-156.6 166.9 -19.6 35.5 3.6 122 127 A V H > S+ 0 0 54 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.748 121.7 54.0 -67.4 -24.0 -22.7 37.1 5.0 123 128 A E H > S+ 0 0 148 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.949 110.9 42.0 -74.8 -51.4 -24.7 34.3 3.6 124 129 A S H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.838 111.2 62.9 -64.1 -29.8 -22.7 31.5 5.3 125 130 A A H X S+ 0 0 0 -4,-2.5 4,-3.6 1,-0.2 -2,-0.2 0.971 105.4 40.9 -56.4 -60.7 -22.8 33.9 8.3 126 131 A N H X S+ 0 0 97 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.744 116.7 50.1 -62.0 -28.6 -26.6 33.8 8.7 127 132 A R H X S+ 0 0 88 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.944 115.5 43.0 -72.8 -49.0 -26.7 30.1 8.0 128 133 A E H X S+ 0 0 2 -4,-3.1 4,-1.8 2,-0.2 5,-0.3 0.931 112.7 52.5 -63.0 -44.7 -23.9 29.5 10.6 129 134 A I H X S+ 0 0 11 -4,-3.6 4,-2.3 1,-0.2 3,-0.5 0.945 114.2 40.9 -57.2 -53.3 -25.4 31.8 13.2 130 135 A A H < S+ 0 0 68 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.744 112.9 58.1 -64.8 -27.6 -28.8 30.2 13.2 131 136 A L H < S+ 0 0 47 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.782 116.9 29.4 -72.9 -38.6 -27.2 26.7 13.0 132 137 A W H < S+ 0 0 1 -4,-1.8 2,-0.4 -3,-0.5 -2,-0.2 0.687 120.4 50.3 -97.1 -26.3 -25.2 27.1 16.2 133 138 A F S < S- 0 0 1 -4,-2.3 -1,-0.1 -5,-0.3 -58,-0.0 -0.920 70.2-136.0-118.5 145.3 -27.4 29.4 18.2 134 139 A K >> - 0 0 82 -2,-0.4 3,-2.0 1,-0.1 4,-0.6 -0.727 34.5-113.7 -91.7 142.4 -31.0 29.4 19.1 135 140 A P G >4 S+ 0 0 100 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.778 118.2 65.6 -45.4 -29.7 -32.6 32.9 18.7 136 141 A E G 34 S+ 0 0 168 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.912 97.7 53.9 -59.3 -40.4 -33.1 32.8 22.4 137 142 A E G <4 S+ 0 0 80 -3,-2.0 2,-0.3 2,-0.1 -100,-0.3 0.581 95.2 85.8 -72.5 -14.6 -29.2 32.9 22.8 138 143 A L S << S- 0 0 22 -3,-0.8 -102,-0.2 -4,-0.6 2,-0.1 -0.699 78.8-119.0-100.6 140.7 -28.8 36.0 20.7 139 144 A L - 0 0 80 -104,-0.9 3,-0.2 -2,-0.3 -104,-0.1 -0.346 23.2-176.6 -66.9 158.3 -28.9 39.6 21.8 140 145 A T S S+ 0 0 104 1,-0.3 2,-1.4 2,-0.1 3,-0.2 0.698 74.0 57.4-120.1 -58.5 -31.5 41.8 20.3 141 146 A E + 0 0 171 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 -0.668 65.8 165.1 -80.2 91.3 -30.9 45.2 21.7 142 147 A V + 0 0 22 -2,-1.4 -1,-0.2 -3,-0.2 -2,-0.1 0.970 10.0 180.0 -77.0 -62.6 -27.3 45.5 20.6 143 148 A K - 0 0 154 -3,-0.2 2,-0.1 1,-0.1 -2,-0.1 1.000 18.5-150.1 55.9 78.7 -26.6 49.3 21.1 144 149 A P - 0 0 26 0, 0.0 5,-0.1 0, 0.0 4,-0.1 -0.346 32.8 -74.1 -78.7 155.0 -22.9 49.8 20.0 145 150 A N >> - 0 0 85 -114,-0.3 3,-1.4 1,-0.2 4,-0.6 -0.161 38.6-139.5 -48.5 127.3 -20.5 52.4 21.3 146 151 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.430 99.3 65.7 -70.8 -3.4 -21.5 55.8 19.8 147 152 A N T 34 S+ 0 0 141 1,-0.1 -2,-0.1 3,-0.1 3,-0.1 0.152 93.5 64.4 -99.5 8.1 -17.8 56.7 19.3 148 153 A L T <4 S+ 0 0 62 -3,-1.4 2,-0.4 1,-0.2 -1,-0.1 0.747 99.7 45.4 -99.3 -39.9 -17.6 53.9 16.8 149 154 A Y < 0 0 57 -4,-0.6 -1,-0.2 -5,-0.1 0, 0.0 -0.885 360.0 360.0-118.5 143.4 -19.9 55.1 14.2 150 155 A E 0 0 260 -2,-0.4 -3,-0.1 -3,-0.1 -2,-0.0 -0.694 360.0 360.0 -74.3 360.0 -20.5 58.5 12.4