==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-10 3L9D . COMPND 2 MOLECULE: PUTATIVE GTP PYROPHOSPHOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,Y.H.HUANG,X.LIU . 391 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 81.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 15.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 42.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 1 1 3 1 0 0 0 0 1 1 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 2 2 0 0 0 2 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 0 0 0 0 0 0 1 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 1 A M 0 0 111 0, 0.0 2,-0.7 0, 0.0 60,-0.0 0.000 360.0 360.0 360.0 120.8 -11.5 -3.7 1.0 2 2 A N > - 0 0 90 1,-0.2 4,-1.8 2,-0.0 3,-0.5 -0.874 360.0-178.9-104.4 97.3 -13.9 -1.8 3.3 3 3 A W H > S+ 0 0 28 -2,-0.7 4,-3.1 1,-0.2 5,-0.3 0.916 72.1 62.7 -68.0 -46.5 -11.7 -0.4 6.0 4 4 A E H 4 S+ 0 0 168 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.828 112.3 40.8 -50.1 -33.6 -14.3 1.4 8.2 5 5 A E H >4 S+ 0 0 140 -3,-0.5 3,-0.9 2,-0.2 -1,-0.2 0.900 114.6 48.0 -81.3 -45.3 -16.0 -1.9 8.8 6 6 A F H 3< S+ 0 0 34 -4,-1.8 4,-0.2 1,-0.2 -2,-0.2 0.883 112.7 51.2 -62.8 -36.4 -12.9 -4.1 9.2 7 7 A L T >X S+ 0 0 15 -4,-3.1 4,-1.9 1,-0.2 3,-1.2 0.601 84.8 91.5 -78.4 -11.5 -11.4 -1.6 11.6 8 8 A D H <> S+ 0 0 75 -3,-0.9 4,-2.0 -4,-0.3 -1,-0.2 0.883 83.8 48.3 -59.6 -46.6 -14.4 -1.3 13.9 9 9 A P H 3> S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.697 111.2 53.4 -67.6 -16.8 -13.6 -4.0 16.4 10 10 A Y H <> S+ 0 0 1 -3,-1.2 4,-2.2 -4,-0.2 -2,-0.2 0.815 105.5 52.5 -83.6 -34.4 -10.1 -2.5 16.8 11 11 A I H X S+ 0 0 97 -4,-1.9 4,-1.4 2,-0.2 -3,-0.1 0.926 113.0 45.3 -62.6 -45.2 -11.4 0.9 17.5 12 12 A Q H X S+ 0 0 57 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.932 110.7 54.0 -59.7 -50.8 -13.6 -0.6 20.2 13 13 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.882 106.1 51.3 -55.0 -44.1 -10.6 -2.7 21.6 14 14 A V H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 110.5 50.7 -60.6 -38.7 -8.4 0.4 22.0 15 15 A G H X S+ 0 0 39 -4,-1.4 4,-1.9 -3,-0.2 -2,-0.2 0.923 114.8 40.8 -66.5 -46.9 -11.1 2.1 23.9 16 16 A E H X S+ 0 0 64 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.894 114.5 51.7 -67.0 -44.3 -11.7 -0.8 26.3 17 17 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.907 108.6 53.5 -60.0 -40.6 -8.0 -1.6 26.7 18 18 A K H X S+ 0 0 56 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.973 113.0 41.1 -55.8 -56.0 -7.4 2.1 27.5 19 19 A I H X S+ 0 0 119 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.911 116.3 50.1 -66.1 -40.2 -10.1 2.1 30.3 20 20 A K H >< S+ 0 0 63 -4,-3.2 3,-1.2 1,-0.2 4,-0.5 0.969 113.9 44.3 -57.6 -54.2 -9.0 -1.3 31.6 21 21 A F H >X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.3 3,-0.5 0.748 108.0 58.2 -65.4 -26.0 -5.2 -0.3 31.8 22 22 A R H 3X S+ 0 0 98 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.3 0.660 98.9 61.9 -78.2 -15.2 -6.0 3.1 33.3 23 23 A G H S+ 0 0 9 -3,-0.5 4,-2.0 -4,-0.5 -1,-0.2 0.935 104.2 45.9 -64.5 -45.0 -4.5 -0.5 37.3 25 25 A R H X S+ 0 0 66 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.866 109.5 53.7 -67.2 -38.8 -3.1 2.9 38.2 26 26 A K H X S+ 0 0 143 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.887 109.1 51.0 -59.6 -39.0 -6.3 3.9 40.0 27 27 A Q H X S+ 0 0 111 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 109.0 47.9 -68.3 -43.2 -6.1 0.7 42.1 28 28 A F H <>S+ 0 0 26 -4,-2.0 5,-2.0 2,-0.2 -1,-0.2 0.958 114.5 47.2 -62.4 -47.7 -2.5 1.2 43.2 29 29 A R H ><5S+ 0 0 101 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.890 108.9 52.6 -63.8 -42.6 -3.3 4.8 44.2 30 30 A K H 3<5S+ 0 0 181 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.913 110.3 49.4 -58.3 -43.0 -6.5 3.9 46.1 31 31 A Q T 3<5S- 0 0 114 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.253 118.0-121.6 -76.2 13.8 -4.4 1.4 48.0 32 32 A K T < 5 + 0 0 99 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.893 69.5 126.4 40.2 55.3 -1.9 4.2 48.5 33 33 A R S > - 0 0 45 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.198 26.3-112.6 -62.4 150.5 -3.7 4.3 10.2 47 47 A I H 3> S+ 0 0 53 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.798 116.1 52.7 -53.6 -34.9 -5.0 2.7 7.0 48 48 A E H 3> S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.878 107.7 50.7 -69.7 -38.5 -1.8 3.6 5.1 49 49 A S H <> S+ 0 0 50 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.870 107.8 53.1 -69.6 -36.1 0.5 2.0 7.7 50 50 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.955 108.6 50.3 -59.7 -47.1 -1.5 -1.2 7.6 51 51 A K H X S+ 0 0 103 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.882 110.4 49.3 -61.9 -40.9 -1.1 -1.4 3.8 52 52 A E H X S+ 0 0 113 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.966 110.4 49.2 -61.2 -52.4 2.6 -0.9 4.0 53 53 A K H X S+ 0 0 12 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.852 110.0 54.3 -56.7 -30.9 3.0 -3.6 6.6 54 54 A M H X>S+ 0 0 32 -4,-2.1 5,-1.3 2,-0.2 4,-1.1 0.919 111.0 43.8 -69.6 -44.0 0.9 -5.8 4.3 55 55 A V H <5S+ 0 0 110 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.903 118.8 44.3 -62.2 -45.1 3.2 -5.2 1.4 56 56 A L H <5S+ 0 0 127 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.881 122.8 32.8 -74.4 -40.2 6.3 -5.6 3.6 57 57 A R H <5S- 0 0 129 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.521 105.4-120.4 -92.5 -8.7 5.3 -8.7 5.6 58 58 A G T <5 + 0 0 64 -4,-1.1 2,-0.6 -5,-0.3 -3,-0.2 0.917 52.8 159.5 69.6 44.2 3.2 -10.3 2.8 59 59 A I < - 0 0 17 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.888 30.4-145.3-102.8 117.6 -0.1 -10.4 4.6 60 60 A K > - 0 0 90 -2,-0.6 3,-1.5 1,-0.1 7,-0.1 -0.396 26.7-110.2 -75.9 159.3 -3.2 -10.7 2.4 61 61 A K G > S+ 0 0 101 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.875 117.4 60.6 -62.2 -36.2 -6.4 -8.9 3.4 62 62 A E G 3 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.695 109.9 44.5 -62.1 -17.8 -8.2 -12.2 4.2 63 63 A N G <> S+ 0 0 53 -3,-1.5 4,-2.0 1,-0.1 5,-0.3 0.215 81.4 104.6-110.9 15.4 -5.4 -12.9 6.8 64 64 A L H <> S+ 0 0 0 -3,-1.8 4,-3.1 2,-0.2 -2,-0.1 0.969 82.7 43.1 -60.3 -56.2 -5.2 -9.5 8.4 65 65 A T H 4 S+ 0 0 58 -4,-0.4 70,-0.2 1,-0.2 -1,-0.2 0.918 121.6 39.5 -60.8 -43.6 -7.0 -10.3 11.7 66 66 A Q H 4 S+ 0 0 135 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.761 128.0 31.0 -79.4 -21.7 -5.3 -13.6 12.2 67 67 A D H < S+ 0 0 78 -4,-2.0 2,-0.5 -7,-0.1 -3,-0.2 0.692 97.0 80.9-114.4 -23.6 -1.8 -12.5 11.0 68 68 A M < - 0 0 0 -4,-3.1 67,-0.3 -5,-0.3 3,-0.3 -0.785 51.5-173.6 -93.0 130.6 -1.3 -8.8 11.8 69 69 A Q S S+ 0 0 50 -2,-0.5 52,-0.3 1,-0.2 -1,-0.1 0.684 71.2 44.5 -98.2 -23.1 -0.3 -8.2 15.4 70 70 A D + 0 0 19 66,-0.2 -1,-0.2 1,-0.1 -25,-0.1 -0.066 64.7 115.9-122.5 31.4 -0.3 -4.4 15.9 71 71 A I S S+ 0 0 0 64,-0.4 -26,-2.5 -3,-0.3 2,-0.4 0.999 85.6 44.0 -62.3 -61.7 -3.4 -3.0 14.3 72 72 A A E S-Ab 44 136A 0 63,-1.1 65,-2.9 -28,-0.2 2,-0.4 -0.700 87.6-167.6 -74.0 131.4 -4.6 -1.9 17.7 73 73 A G E -Ab 43 137A 21 -30,-1.6 -30,-1.9 -2,-0.4 2,-0.3 -0.989 8.4-175.2-128.2 129.7 -1.6 -0.3 19.4 74 74 A L E -Ab 42 138A 2 63,-3.5 65,-3.5 -2,-0.4 2,-0.5 -0.913 10.4-155.5-124.2 150.7 -1.3 0.7 23.1 75 75 A R E -Ab 41 139A 77 -34,-2.4 -34,-1.9 -2,-0.3 2,-0.7 -0.978 1.3-165.4-127.6 122.9 1.3 2.4 25.1 76 76 A I E -Ab 40 140A 0 63,-2.9 65,-2.4 -2,-0.5 2,-0.6 -0.921 14.8-153.3-106.0 110.0 1.9 2.0 28.8 77 77 A M E -Ab 39 141A 2 -38,-2.6 -39,-3.4 -2,-0.7 -38,-1.4 -0.755 15.5-172.8 -85.9 118.5 4.1 4.8 30.1 78 78 A V E - b 0 142A 0 63,-3.1 65,-0.6 -2,-0.6 -41,-0.2 -0.788 26.2-136.6-109.5 155.4 6.0 3.8 33.3 79 79 A Q S S+ 0 0 40 -43,-0.4 2,-0.3 -2,-0.3 64,-0.2 0.884 84.2 32.9 -76.3 -43.0 8.2 6.0 35.5 80 80 A F S >> S- 0 0 5 -44,-0.2 3,-1.2 1,-0.1 4,-0.6 -0.882 73.3-124.6-120.3 148.9 11.2 3.6 36.1 81 81 A V T >4 S+ 0 0 11 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.932 116.1 58.1 -48.5 -43.7 12.9 0.9 34.0 82 82 A D T >> S+ 0 0 36 1,-0.3 3,-0.8 2,-0.2 4,-0.8 0.788 91.4 68.0 -59.9 -30.5 12.1 -1.4 36.9 83 83 A D H <> S+ 0 0 0 -3,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.687 82.9 77.6 -66.2 -16.1 8.4 -0.7 36.7 84 84 A V H S+ 0 0 99 -3,-0.8 4,-2.8 -4,-0.4 -1,-0.2 0.855 110.4 52.4 -67.3 -33.6 8.4 -6.1 34.9 86 86 A D H X S+ 0 0 76 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.948 109.3 48.3 -66.2 -47.0 5.7 -5.2 37.4 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.872 112.2 53.3 -55.0 -33.9 3.4 -4.0 34.5 88 88 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.950 104.2 51.5 -70.2 -50.0 4.4 -7.3 32.9 89 89 A E H X S+ 0 0 71 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.864 111.9 49.3 -52.4 -40.0 3.4 -9.5 35.8 90 90 A L H < S+ 0 0 37 -4,-1.9 4,-0.5 2,-0.2 3,-0.3 0.924 110.3 49.2 -65.9 -46.7 -0.0 -7.8 35.8 91 91 A L H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.894 109.7 51.3 -61.8 -42.5 -0.6 -8.2 32.1 92 92 A R H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 7,-0.2 0.776 108.3 52.1 -67.4 -29.9 0.3 -12.0 32.2 93 93 A Q T 3< S+ 0 0 126 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.441 84.7 109.4 -89.2 -0.5 -2.1 -12.7 35.0 94 94 A R < - 0 0 63 -3,-1.0 5,-0.2 -4,-0.5 3,-0.1 -0.453 50.8-162.9 -71.6 149.1 -5.2 -11.0 33.3 95 95 A K S S+ 0 0 193 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 0.436 78.8 72.7-110.3 -6.8 -8.0 -13.3 32.1 96 96 A D S S+ 0 0 43 27,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.303 111.1 20.0 -93.5 7.8 -9.7 -10.9 29.7 97 97 A M S S- 0 0 10 26,-0.1 2,-0.4 -6,-0.1 26,-0.2 -0.937 77.3-129.7-159.2 163.8 -6.9 -11.1 27.2 98 98 A K E -C 122 0A 34 24,-1.9 24,-2.3 -2,-0.3 2,-0.4 -0.992 16.5-130.3-126.0 128.3 -4.1 -13.6 26.6 99 99 A V E +C 121 0A 15 -2,-0.4 22,-0.2 22,-0.2 205,-0.1 -0.619 33.3 166.0 -71.0 122.6 -0.5 -12.8 26.2 100 100 A I E + 0 0 28 20,-2.7 201,-0.6 -2,-0.4 2,-0.3 0.528 59.5 21.6-119.8 -9.2 0.9 -14.5 23.1 101 101 A Q E -CD 120 300A 2 19,-1.2 19,-2.5 199,-0.2 2,-0.4 -0.932 54.1-172.8-158.6 137.3 4.2 -12.8 22.4 102 102 A E E -CD 119 299A 5 197,-2.3 197,-2.4 -2,-0.3 2,-0.4 -0.984 2.3-175.7-126.5 143.8 6.8 -10.8 24.3 103 103 A R E -C 118 0A 63 15,-2.1 15,-2.5 -2,-0.4 2,-0.7 -0.948 14.6-148.7-140.6 121.9 9.9 -9.0 23.0 104 104 A D E +C 117 0A 28 -2,-0.4 13,-0.2 192,-0.3 4,-0.1 -0.769 28.3 159.6 -96.8 111.0 12.4 -7.3 25.2 105 105 A Y E +C 116 0A 78 11,-2.0 11,-0.7 -2,-0.7 12,-0.2 -0.021 63.2 80.4-113.1 29.1 14.1 -4.3 23.8 106 106 A I S S+ 0 0 13 9,-0.2 11,-0.1 -25,-0.0 -1,-0.1 0.856 94.5 39.7 -98.3 -49.6 15.2 -2.9 27.2 107 107 A N 0 0 111 189,-0.1 -2,-0.1 4,-0.0 8,-0.0 0.759 360.0 360.0 -65.9 -26.5 18.3 -5.1 27.9 108 108 A N 0 0 37 8,-0.2 4,-0.3 -4,-0.1 -3,-0.0 -0.327 360.0 360.0 -41.0 360.0 18.9 -4.5 24.2 109 ! 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 0.0 110 110 A K 0 0 168 0, 0.0 2,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.0 24.7 -1.8 24.9 111 111 A P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 69,-0.1 -0.411 360.0 66.8 -74.0 68.1 23.4 1.4 26.6 112 112 A S + 0 0 8 -2,-2.3 60,-0.1 -4,-0.3 64,-0.1 -0.975 66.8 41.7-178.5 165.8 22.1 3.0 23.4 113 113 A G S S- 0 0 27 59,-0.3 66,-0.1 -2,-0.3 59,-0.0 -0.087 95.4 -6.7 70.9-176.4 19.5 2.8 20.6 114 114 A Y - 0 0 65 34,-0.1 2,-0.4 35,-0.1 -2,-0.2 -0.053 60.6-168.5 -44.1 142.8 15.8 2.0 20.8 115 115 A R + 0 0 16 30,-0.2 2,-0.3 27,-0.1 -9,-0.2 -0.943 28.8 112.4-145.6 118.5 14.4 0.9 24.2 116 116 A S E -C 105 0A 0 -11,-0.7 -11,-2.0 -2,-0.4 2,-0.4 -0.975 51.1-122.6-172.3 166.1 11.0 -0.6 24.7 117 117 A Y E -CE 104 140A 6 23,-1.3 23,-2.3 -2,-0.3 2,-0.5 -0.986 24.0-155.4-127.8 125.0 9.1 -3.7 25.6 118 118 A H E +CE 103 139A 18 -15,-2.5 -15,-2.1 -2,-0.4 2,-0.4 -0.865 11.9 180.0-107.8 127.9 6.5 -5.2 23.2 119 119 A V E -CE 102 138A 0 19,-2.7 19,-3.2 -2,-0.5 2,-0.5 -0.981 12.1-156.4-122.2 131.8 3.6 -7.4 24.2 120 120 A I E -CE 101 137A 0 -19,-2.5 -20,-2.7 -2,-0.4 -19,-1.2 -0.920 15.9-174.0-107.0 132.6 1.1 -8.9 21.9 121 121 A V E -CE 99 136A 0 15,-2.1 15,-2.4 -2,-0.5 2,-0.5 -0.961 24.8-135.5-126.2 141.2 -2.3 -9.8 23.3 122 122 A E E -CE 98 135A 79 -24,-2.3 -24,-1.9 -2,-0.4 13,-0.2 -0.885 30.3-169.9 -88.3 127.6 -5.3 -11.6 21.8 123 123 A Y E - E 0 134A 6 11,-2.9 11,-2.4 -2,-0.5 2,-0.6 -0.981 17.0-141.1-127.8 119.3 -8.4 -9.6 22.9 124 124 A P E - E 0 133A 44 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.717 22.0-172.6 -80.3 121.3 -11.9 -10.7 22.5 125 125 A V E - E 0 132A 0 7,-2.8 7,-2.1 -2,-0.6 2,-0.4 -0.966 16.8-140.7-118.1 122.0 -14.2 -7.9 21.6 126 126 A D E - E 0 131A 106 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.682 25.6-178.5 -78.8 125.7 -18.0 -8.3 21.4 127 127 A T E > - E 0 130A 25 3,-2.1 3,-1.4 -2,-0.4 -119,-0.0 -0.637 45.5 -97.6-112.0 175.2 -19.5 -6.4 18.5 128 128 A I T 3 S+ 0 0 185 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.718 127.5 46.4 -67.0 -18.3 -23.1 -6.0 17.4 129 129 A S T 3 S- 0 0 87 1,-0.4 -1,-0.2 0, 0.0 2,-0.2 0.298 127.1 -81.2-105.4 11.0 -22.5 -8.9 14.9 130 130 A G E < - E 0 127A 31 -3,-1.4 -3,-2.1 2,-0.0 -1,-0.4 -0.637 65.5 -31.4 123.5-178.0 -20.7 -11.1 17.4 131 131 A Q E - E 0 126A 105 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.537 46.1-170.0 -81.2 138.9 -17.3 -11.8 19.0 132 132 A R E - E 0 125A 100 -7,-2.1 -7,-2.8 -2,-0.2 2,-0.9 -0.996 17.1-143.3-125.5 131.4 -14.0 -11.0 17.2 133 133 A I E + E 0 124A 83 -2,-0.4 2,-0.3 -9,-0.2 -11,-0.0 -0.845 31.7 177.2 -91.9 108.8 -10.6 -12.0 18.5 134 134 A I E - 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0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.023 39.0-105.3 -50.5 174.4 22.0 11.3 6.9 165 165 A E H > S+ 0 0 85 2,-0.2 4,-2.5 3,-0.1 5,-0.3 0.953 118.1 46.4 -74.2 -50.1 25.3 11.0 8.9 166 166 A D H > S+ 0 0 71 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 114.2 48.2 -60.1 -52.4 24.6 13.9 11.3 167 167 A I H >> S+ 0 0 42 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.967 110.4 53.4 -45.5 -63.8 21.0 12.7 12.0 168 168 A K H 3X S+ 0 0 43 -4,-1.6 4,-2.1 1,-0.3 -2,-0.2 0.882 114.3 38.9 -36.7 -62.0 22.4 9.1 12.6 169 169 A R H 3X S+ 0 0 62 -4,-2.5 4,-2.7 1,-0.2 -1,-0.3 0.780 114.7 55.0 -69.0 -26.5 25.0 10.2 15.2 170 170 A R H X S+ 0 0 97 -4,-2.7 4,-1.7 1,-0.2 3,-0.5 0.956 114.5 46.5 -61.3 -51.0 24.0 10.4 20.9 174 174 A T H 3X S+ 0 0 50 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.885 108.2 58.1 -55.4 -43.3 20.5 11.4 22.0 175 175 A S H 3X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.834 104.8 49.4 -56.6 -37.9 19.7 7.8 22.6 176 176 A K H X S+ 0 0 108 -4,-3.0 3,-0.8 -5,-0.2 4,-0.7 0.939 112.3 46.5 -68.2 -50.2 20.5 7.5 37.0 185 185 A M H >< S+ 0 0 88 -4,-2.2 3,-0.7 1,-0.2 7,-0.2 0.856 102.9 62.3 -64.9 -34.8 16.9 7.9 38.4 186 186 A R H >< S+ 0 0 53 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.792 96.4 62.7 -63.2 -24.1 16.2 4.2 38.9 187 187 A Q H << S+ 0 0 129 -3,-0.8 3,-0.3 -4,-0.6 -1,-0.2 0.851 111.5 33.8 -73.1 -33.9 19.1 4.1 41.4 188 188 A I T XX S+ 0 0 91 -3,-0.7 4,-2.3 -4,-0.7 3,-0.7 0.100 89.0 116.9 -99.0 19.4 17.4 6.5 43.8 189 189 A R H <> + 0 0 58 -3,-1.0 4,-2.5 1,-0.3 5,-0.2 0.856 68.6 54.6 -60.8 -38.8 14.0 5.1 42.8 190 190 A D H 3> S+ 0 0 104 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.3 0.861 110.9 48.5 -61.7 -33.5 13.1 3.7 46.2 191 191 A D H <> S+ 0 0 110 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.957 111.2 46.8 -73.4 -53.0 13.7 7.2 47.6 192 192 A I H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.907 111.9 51.6 -52.1 -46.1 11.6 9.1 45.0 193 193 A K H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.907 108.6 52.6 -60.7 -41.1 8.8 6.6 45.4 194 194 A E H < S+ 0 0 128 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 109.3 48.3 -61.2 -42.6 8.9 7.2 49.1 195 195 A A H >< S+ 0 0 62 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.943 111.9 48.3 -64.9 -48.0 8.7 10.9 48.7 196 196 A Q H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 97.8 69.6 -60.7 -35.0 5.7 10.7 46.3 197 197 A L T 3< S+ 0 0 71 -4,-2.1 2,-0.9 -5,-0.2 -1,-0.3 0.408 77.8 88.8 -70.2 5.6 3.9 8.3 48.7 198 198 A L < 0 0 137 -3,-1.6 -1,-0.2 -5,-0.1 -4,-0.0 -0.726 360.0 360.0 -97.7 76.4 3.6 11.3 50.9 199 199 A F 0 0 169 -2,-0.9 -2,-0.1 -167,-0.0 -3,-0.0 -0.839 360.0 360.0 -91.2 360.0 0.3 12.5 49.4 200 !* 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 0.0 201 4 B E 0 0 117 0, 0.0 43,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.5 29.2 -26.3 6.8 202 5 B E > + 0 0 92 2,-0.1 3,-0.6 1,-0.1 0, 0.0 0.547 360.0 65.1 -92.0 -15.3 31.7 -24.0 8.5 203 6 B F T 3 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.849 93.8 58.5 -70.6 -35.7 28.7 -21.8 9.2 204 7 B L T 3> S+ 0 0 28 1,-0.2 4,-1.3 2,-0.1 3,-0.3 0.496 81.6 91.6 -77.1 -4.2 27.1 -24.5 11.5 205 8 B D H X> S+ 0 0 80 -3,-0.6 4,-1.7 1,-0.2 3,-1.2 0.958 81.5 46.6 -65.4 -56.0 30.0 -24.6 13.9 206 9 B P H 3> S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.773 108.8 60.1 -60.7 -20.0 29.1 -22.1 16.6 207 10 B Y H 3> S+ 0 0 3 -4,-0.3 4,-2.2 -3,-0.3 -2,-0.2 0.850 103.7 49.1 -73.9 -34.1 25.6 -23.5 16.7 208 11 B I H X S+ 0 0 67 -4,-3.4 4,-0.7 1,-0.2 3,-0.6 0.965 114.8 42.9 -54.2 -54.5 24.3 -24.7 31.4 218 21 B F H 3X S+ 0 0 0 -4,-3.3 4,-0.8 1,-0.2 3,-0.3 0.779 110.4 54.8 -65.3 -29.5 20.6 -25.9 31.5 219 22 B R H 3X S+ 0 0 91 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.755 101.3 63.6 -74.0 -21.2 21.4 -29.3 33.2 220 23 B G H S+ 0 0 27 -4,-1.9 5,-2.2 1,-0.2 -1,-0.2 0.906 114.7 48.3 -55.1 -40.9 17.7 -27.2 43.0 226 29 B R H ><5S+ 0 0 135 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.879 107.2 50.7 -71.3 -44.1 18.5 -30.8 44.0 227 30 B K H 3<5S+ 0 0 203 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 114.3 48.4 -62.9 -26.5 21.7 -30.1 46.0 228 31 B Q T 3<5S- 0 0 125 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.299 116.3-126.3 -92.7 4.8 19.5 -27.5 47.8 229 32 B K T < 5 + 0 0 73 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.891 66.1 119.8 48.7 53.8 16.8 -30.2 48.1 230 33 B R S - 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