==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-AUG-13 4MCJ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1510 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1064 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 260 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 0 0.0 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 0.1 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 . 190 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 1 7 2 0 0 20 10 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 10 0 10 30 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 10 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 0 A G 0 0 43 0, 0.0 2,-0.2 0, 0.0 391,-0.1 0.000 360.0 360.0 360.0-177.4 141.2 12.4 88.4 2 22 A A + 0 0 28 1,-0.1 45,-0.1 417,-0.0 46,-0.1 -0.478 360.0 157.5 -63.2 127.8 137.9 11.4 86.7 3 23 A Q + 0 0 40 45,-2.6 48,-0.2 -2,-0.2 -1,-0.1 0.344 30.9 114.4-136.9 -3.2 137.6 13.3 83.4 4 24 A S - 0 0 20 44,-2.2 2,-0.6 42,-0.4 48,-0.2 -0.335 62.8-129.3 -68.9 153.2 135.1 11.1 81.3 5 25 A E E -a 52 0A 75 46,-3.3 48,-3.4 -2,-0.0 2,-0.5 -0.951 30.3-176.0-105.0 117.0 131.7 12.5 80.4 6 26 A V E -a 53 0A 20 -2,-0.6 2,-0.5 46,-0.2 48,-0.2 -0.967 11.3-178.8-123.5 119.4 129.0 10.0 81.4 7 27 A V E -a 54 0A 31 46,-2.8 48,-3.0 -2,-0.5 2,-0.5 -0.958 13.5-155.9-112.0 126.1 125.3 10.4 80.6 8 28 A V E -a 55 0A 24 -2,-0.5 2,-0.4 46,-0.2 48,-0.2 -0.944 3.7-160.3-109.0 126.5 122.9 7.7 81.9 9 29 A L E -a 56 0A 16 46,-3.1 48,-3.0 -2,-0.5 5,-0.1 -0.910 8.9-172.1-104.4 128.7 119.5 7.1 80.1 10 30 A Y > - 0 0 39 -2,-0.4 3,-1.7 46,-0.2 50,-0.1 -0.818 37.8-111.3-113.8 160.6 116.7 5.2 81.9 11 31 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 0.828 121.3 43.6 -61.2 -28.0 113.3 4.0 80.6 12 32 A D T 3 S+ 0 0 89 2,-0.0 2,-0.3 62,-0.0 62,-0.0 0.133 106.4 74.9-103.0 16.1 111.6 6.6 82.9 13 33 A T < - 0 0 68 -3,-1.7 2,-0.4 2,-0.0 -4,-0.0 -0.906 60.6-155.3-127.0 157.0 114.0 9.6 82.1 14 34 A E - 0 0 178 -2,-0.3 2,-0.2 -5,-0.1 -2,-0.0 -0.999 10.3-170.8-132.8 131.2 114.4 11.8 79.0 15 35 A N > - 0 0 45 -2,-0.4 3,-0.5 3,-0.1 -6,-0.0 -0.575 25.4-169.5-120.9 64.9 117.6 13.7 77.9 16 36 A K T 3 + 0 0 80 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.121 64.7 26.6 -55.5 149.6 116.0 15.9 75.1 17 37 A D T 3 S+ 0 0 118 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.796 86.6 137.5 61.4 38.2 118.3 17.9 72.7 18 38 A L < - 0 0 47 -3,-0.5 2,-1.1 3,-0.0 -1,-0.2 -0.945 55.0-133.5-111.1 130.2 121.3 15.4 73.2 19 39 A D > - 0 0 98 -2,-0.4 3,-1.4 1,-0.2 4,-0.2 -0.752 18.6-171.3 -86.1 97.1 123.4 14.3 70.1 20 40 A E G > S+ 0 0 49 -2,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.693 76.7 72.3 -61.1 -21.2 123.6 10.5 70.6 21 41 A A G 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.708 91.0 54.6 -68.7 -27.2 126.1 10.4 67.7 22 42 A V G < S+ 0 0 68 -3,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.500 101.1 77.0 -90.8 -0.3 129.1 12.0 69.6 23 43 A Y S < S- 0 0 19 -3,-1.0 2,-0.7 -4,-0.2 30,-0.2 -0.784 84.1-118.4-109.1 150.8 128.8 9.4 72.5 24 44 A Q E -b 53 0A 89 28,-3.0 30,-2.7 -2,-0.3 2,-0.6 -0.792 38.8-145.8 -79.8 110.4 129.9 5.8 72.8 25 45 A K E -b 54 0A 23 -2,-0.7 61,-2.8 28,-0.2 62,-1.7 -0.807 21.7-179.5 -91.3 118.1 126.4 4.2 73.4 26 46 A I E -bc 55 87A 2 28,-2.6 30,-3.0 -2,-0.6 2,-0.5 -0.986 16.9-150.4-123.8 125.6 126.5 1.2 75.8 27 47 A F E -bc 56 88A 0 60,-2.5 62,-2.4 -2,-0.4 2,-1.2 -0.824 10.5-144.0 -95.9 127.5 123.5 -0.9 76.8 28 48 A L E + c 0 89A 0 28,-2.7 2,-0.2 -2,-0.5 62,-0.2 -0.746 30.9 176.8 -92.5 87.0 123.7 -2.4 80.3 29 49 A A E + c 0 90A 0 60,-2.0 62,-2.5 -2,-1.2 2,-0.3 -0.558 29.2 54.0 -88.7 154.3 122.0 -5.8 79.7 30 50 A G E S+ c 0 91A 9 60,-0.3 62,-0.2 -2,-0.2 -2,-0.0 -0.798 79.8 19.1 125.5-165.4 121.6 -8.5 82.3 31 51 A T - 0 0 10 60,-1.8 2,-0.6 -2,-0.3 6,-0.2 -0.122 48.1-161.2 -53.9 124.8 120.3 -9.3 85.9 32 52 A I + 0 0 70 4,-0.1 2,-0.5 5,-0.1 -1,-0.1 -0.949 15.8 174.4-110.3 103.9 117.8 -6.8 87.3 33 53 A D 0 0 98 -2,-0.6 63,-0.0 1,-0.1 26,-0.0 -0.981 360.0 360.0-111.9 113.7 117.8 -7.3 91.1 34 54 A X 0 0 122 -2,-0.5 -1,-0.1 2,-0.0 28,-0.0 0.547 360.0 360.0 -92.2 360.0 115.6 -4.8 93.0 35 ! 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 36 59 A D >> 0 0 77 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 57.9 122.9 -3.3 91.3 37 60 A W H 3> + 0 0 25 1,-0.2 4,-2.1 -6,-0.2 5,-0.1 0.693 360.0 72.5 -66.2 -25.4 126.0 -4.0 89.3 38 61 A Q H 3> S+ 0 0 1 2,-0.2 4,-2.0 -7,-0.2 -1,-0.2 0.861 98.3 43.5 -61.1 -45.2 124.5 -1.4 86.8 39 62 A K H <> S+ 0 0 67 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.901 113.8 51.2 -68.0 -43.2 125.2 1.6 89.1 40 63 A A H X S+ 0 0 59 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.826 110.8 49.5 -61.4 -34.4 128.7 0.3 89.9 41 64 A T H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 110.7 49.3 -70.7 -44.1 129.3 -0.0 86.1 42 65 A C H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.919 111.5 49.7 -59.2 -45.2 128.1 3.6 85.6 43 66 A D H X S+ 0 0 72 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.836 106.7 56.0 -61.9 -36.0 130.4 4.7 88.4 44 67 A W H < S+ 0 0 65 -4,-1.5 3,-0.4 2,-0.2 4,-0.3 0.919 109.4 45.1 -63.2 -45.0 133.3 2.8 86.7 45 68 A F H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.853 109.7 55.8 -67.0 -35.2 132.8 4.8 83.5 46 69 A R H 3< S+ 0 0 78 -4,-1.9 -42,-0.4 1,-0.2 -1,-0.2 0.781 104.0 55.3 -65.1 -29.8 132.5 8.0 85.5 47 70 A A T 3< S+ 0 0 65 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.512 84.0 112.0 -82.2 -9.4 135.9 7.3 87.1 48 71 A L < - 0 0 9 -3,-1.1 -45,-2.6 -4,-0.3 -44,-2.2 -0.283 69.5-134.2 -66.9 148.7 137.6 7.0 83.6 49 72 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.551 82.8 16.8 -84.0 -6.2 140.2 9.7 82.6 50 73 A E S S+ 0 0 89 -45,-0.0 -46,-0.3 609,-0.0 -47,-0.1 -0.983 81.1 69.2-155.5 163.8 138.8 10.2 79.1 51 74 A G - 0 0 27 -2,-0.3 -46,-3.3 -48,-0.2 2,-0.5 -0.029 57.4-106.3 108.1 154.1 135.7 9.5 76.8 52 75 A R E -a 5 0A 112 -48,-0.2 -28,-3.0 -30,-0.1 2,-0.4 -0.979 40.6-175.3-116.8 111.7 132.0 10.4 76.2 53 76 A Y E -ab 6 24A 19 -48,-3.4 -46,-2.8 -2,-0.5 2,-0.6 -0.949 21.0-168.6-119.0 132.9 129.7 7.7 77.2 54 77 A L E -ab 7 25A 0 -30,-2.7 -28,-2.6 -2,-0.4 2,-0.5 -0.972 19.5-163.1-114.4 107.0 125.9 7.4 76.9 55 78 A L E -ab 8 26A 0 -48,-3.0 -46,-3.1 -2,-0.6 2,-0.8 -0.865 11.4-150.7-101.0 124.7 124.8 4.4 79.0 56 79 A F E -ab 9 27A 0 -30,-3.0 -28,-2.7 -2,-0.5 -46,-0.2 -0.866 18.1-174.7 -93.1 103.8 121.4 2.9 78.5 57 80 A N - 0 0 2 -48,-3.0 -28,-0.1 -2,-0.8 -30,-0.1 -0.913 13.9-172.9-104.7 108.5 120.4 1.5 81.9 58 81 A P + 0 0 7 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.569 60.0 99.6 -76.3 -8.0 117.1 -0.5 81.8 59 82 A R - 0 0 26 -31,-0.1 2,-0.1 -48,-0.0 4,-0.1 -0.714 64.0-154.4 -85.3 110.3 117.1 -0.7 85.6 60 83 A R - 0 0 19 -2,-0.8 4,-0.1 2,-0.1 -50,-0.0 -0.502 22.4-123.2 -78.7 153.5 114.7 1.9 87.1 61 84 A D S S+ 0 0 122 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.915 103.7 42.0 -64.8 -40.8 115.3 3.1 90.7 62 85 A K S S- 0 0 70 1,-0.1 -2,-0.1 -28,-0.0 3,-0.1 -0.850 98.8-110.9-105.5 138.6 111.7 2.0 91.5 63 86 A G - 0 0 49 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 0.028 45.8 -76.3 -59.9 171.3 110.3 -1.3 90.3 64 87 A L - 0 0 69 1,-0.1 -1,-0.1 -4,-0.1 7,-0.0 -0.514 30.9-135.4 -74.2 141.9 107.6 -1.6 87.6 65 88 A S - 0 0 93 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.782 37.5-120.1 -61.7 -33.0 103.9 -1.0 88.7 66 89 A G + 0 0 67 1,-0.4 2,-0.2 2,-0.0 -1,-0.1 0.307 67.4 140.2 101.8 -8.6 102.7 -4.0 86.8 67 90 A E > - 0 0 98 1,-0.1 4,-1.5 4,-0.0 -1,-0.4 -0.494 56.2-129.1 -66.8 136.1 100.4 -1.9 84.7 68 91 A X H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 102.5 51.0 -58.6 -51.0 100.5 -3.2 81.0 69 92 A S H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 111.8 50.2 -63.0 -33.3 101.2 0.0 79.1 70 93 A D H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 110.8 49.7 -66.2 -39.2 104.2 0.7 81.4 71 94 A F H X S+ 0 0 52 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.898 109.9 49.9 -67.3 -43.9 105.5 -2.9 80.9 72 95 A E H X S+ 0 0 59 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.897 108.7 53.2 -62.2 -40.9 105.2 -2.5 77.0 73 96 A H H X S+ 0 0 85 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.905 108.6 50.8 -59.2 -42.2 107.1 0.8 77.3 74 97 A Q H X S+ 0 0 9 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.940 113.3 43.0 -60.4 -49.9 109.9 -1.1 79.3 75 98 A V H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.920 116.8 46.8 -66.2 -44.3 110.2 -3.9 76.7 76 99 A N H X S+ 0 0 59 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.869 112.2 50.9 -66.4 -38.2 110.1 -1.5 73.7 77 100 A W H X S+ 0 0 16 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.921 112.1 48.3 -62.2 -45.3 112.7 0.8 75.4 78 101 A E H X S+ 0 0 22 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 114.6 43.6 -60.0 -52.1 115.0 -2.2 76.0 79 102 A L H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.904 114.6 49.6 -64.9 -41.7 114.7 -3.5 72.4 80 103 A E H X S+ 0 0 73 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.883 115.5 42.4 -64.5 -40.5 115.1 0.0 70.8 81 104 A H H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.744 109.1 57.8 -85.2 -19.3 118.2 0.9 72.9 82 105 A L H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.911 111.8 44.1 -69.7 -38.8 119.7 -2.6 72.4 83 106 A E H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.4 48.3 -68.3 -43.0 119.5 -1.8 68.7 84 107 A K H < S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.735 90.9 105.0 -70.7 -28.2 120.9 1.8 69.1 85 108 A A < - 0 0 3 -4,-1.5 -59,-0.2 1,-0.1 3,-0.1 -0.196 59.3-154.8 -60.2 143.1 123.9 0.7 71.3 86 109 A D S S+ 0 0 89 -61,-2.8 2,-0.3 1,-0.3 -60,-0.2 0.734 88.3 18.1 -81.0 -30.9 127.4 0.6 69.9 87 110 A L E -c 26 0A 24 -62,-1.7 -60,-2.5 2,-0.0 2,-0.5 -0.996 67.0-149.2-144.9 141.3 128.2 -2.1 72.6 88 111 A I E -cd 27 114A 0 25,-3.0 27,-2.3 -2,-0.3 2,-0.7 -0.965 7.9-162.6-115.6 115.5 126.1 -4.4 74.8 89 112 A I E -cd 28 115A 0 -62,-2.4 -60,-2.0 -2,-0.5 2,-0.7 -0.886 13.0-169.1 -93.9 109.3 127.6 -5.2 78.2 90 113 A X E -cd 29 116A 0 25,-3.0 27,-3.2 -2,-0.7 2,-0.5 -0.897 5.0-175.8-109.2 110.3 125.6 -8.3 79.4 91 114 A N E -cd 30 117A 8 -62,-2.5 -60,-1.8 -2,-0.7 2,-0.5 -0.910 2.7-172.8-112.9 121.6 126.2 -9.2 83.0 92 115 A I E - d 0 118A 0 25,-2.9 27,-2.6 -2,-0.5 2,-0.2 -0.951 12.7-148.0-117.7 115.5 124.6 -12.4 84.4 93 116 A L > - 0 0 39 -2,-0.5 3,-1.0 25,-0.2 28,-0.1 -0.528 20.4-122.8 -85.2 148.1 124.8 -13.1 88.1 94 117 A A T 3 S+ 0 0 25 1,-0.2 29,-0.5 -2,-0.2 -1,-0.1 0.798 110.7 54.4 -58.7 -35.1 124.9 -16.8 89.4 95 118 A S T 3 S+ 0 0 110 27,-0.1 -1,-0.2 28,-0.0 2,-0.1 0.659 94.4 93.0 -75.5 -19.5 121.8 -16.3 91.6 96 119 A S < - 0 0 14 -3,-1.0 27,-0.5 1,-0.1 -63,-0.0 -0.330 58.2-158.9 -79.9 157.4 119.6 -15.0 88.7 97 120 A K - 0 0 128 25,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 0.703 26.4-177.9 -97.6 -28.9 117.3 -16.9 86.4 98 121 A S > + 0 0 13 1,-0.1 4,-1.5 -66,-0.1 -2,-0.1 0.776 11.1 165.8 35.1 54.3 117.6 -14.0 83.8 99 122 A P H > S+ 0 0 13 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.850 76.1 44.4 -68.4 -30.9 115.2 -15.6 81.1 100 123 A I H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.796 106.2 61.5 -83.9 -24.6 114.8 -12.3 79.1 101 124 A T H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 104.8 48.9 -61.2 -41.5 118.6 -11.7 79.3 102 125 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.846 109.2 52.1 -68.2 -34.2 118.9 -15.0 77.3 103 126 A L H X S+ 0 0 3 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.946 112.5 45.3 -62.9 -49.3 116.3 -13.9 74.8 104 127 A E H X S+ 0 0 13 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.818 110.0 55.5 -63.0 -36.3 118.3 -10.6 74.3 105 128 A X H X S+ 0 0 0 -4,-2.2 4,-1.1 2,-0.2 3,-0.3 0.938 109.4 46.0 -63.1 -46.2 121.6 -12.6 74.1 106 129 A G H < S+ 0 0 4 -4,-2.1 4,-0.4 1,-0.2 3,-0.4 0.887 111.0 54.4 -59.5 -45.0 120.1 -14.7 71.2 107 130 A L H < S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 121.3 27.6 -60.3 -36.9 118.9 -11.5 69.5 108 131 A F H >< S+ 0 0 19 -4,-1.7 3,-1.4 -3,-0.3 4,-0.4 0.348 87.5 108.2-115.1 11.5 122.3 -9.8 69.5 109 132 A X T 3< S+ 0 0 3 -4,-1.1 3,-0.4 -3,-0.4 5,-0.1 0.842 89.5 35.9 -51.4 -43.9 124.5 -13.0 69.4 110 133 A R T 3 S+ 0 0 177 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.403 93.1 91.4 -97.1 4.1 125.6 -12.3 65.8 111 134 A S S < S- 0 0 56 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.1 0.674 85.0-134.8 -68.2 -26.3 125.7 -8.5 66.0 112 135 A G S S+ 0 0 58 -4,-0.4 -1,-0.1 -3,-0.4 -3,-0.1 0.343 89.2 85.9 81.9 -4.5 129.4 -8.4 66.9 113 136 A K + 0 0 39 -5,-0.4 -25,-3.0 -26,-0.1 2,-0.3 0.411 62.3 105.7-109.2 5.0 128.6 -5.8 69.6 114 137 A L E -d 88 0A 2 -6,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.682 42.7-176.3 -91.4 133.8 127.7 -8.2 72.5 115 138 A R E -d 89 0A 67 -27,-2.3 -25,-3.0 -2,-0.3 2,-0.5 -0.994 14.7-154.1-126.8 116.5 130.1 -8.9 75.4 116 139 A V E -de 90 139A 0 22,-2.5 24,-2.6 -2,-0.4 2,-0.5 -0.847 14.1-174.1-103.3 131.8 128.8 -11.6 77.9 117 140 A I E +de 91 140A 0 -27,-3.2 -25,-2.9 -2,-0.5 2,-0.5 -0.991 15.0 176.3-118.0 108.1 129.9 -11.7 81.6 118 141 A C E -d 92 0A 0 22,-2.8 -25,-0.2 -2,-0.5 -27,-0.1 -0.962 24.3-136.5-128.0 114.6 128.4 -14.9 83.1 119 142 A E > - 0 0 82 -27,-2.6 3,-1.9 -2,-0.5 23,-0.1 -0.468 27.5-112.2 -68.8 126.9 129.2 -15.8 86.6 120 143 A P T 3 S+ 0 0 58 0, 0.0 -26,-0.2 0, 0.0 3,-0.1 -0.383 106.3 50.0 -57.0 137.0 130.0 -19.5 87.2 121 144 A G T 3 S+ 0 0 63 1,-0.5 2,-0.1 -28,-0.1 -2,-0.1 0.116 73.9 137.8 111.9 -16.9 127.2 -21.0 89.2 122 145 A F X - 0 0 6 -3,-1.9 3,-2.0 1,-0.1 -1,-0.5 -0.432 63.7-123.8 -60.7 131.4 124.5 -19.6 86.8 123 146 A Y T 3 S+ 0 0 63 -27,-0.5 -1,-0.1 -29,-0.5 3,-0.1 0.656 109.5 34.2 -60.3 -18.9 121.9 -22.4 86.3 124 147 A R T 3> S+ 0 0 90 1,-0.1 4,-1.9 2,-0.1 3,-0.3 -0.051 79.8 127.7-124.3 34.6 122.3 -22.3 82.5 125 148 A Y H <> S+ 0 0 35 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 0.857 70.4 52.6 -56.9 -47.2 126.1 -21.5 82.4 126 149 A D H > S+ 0 0 49 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.862 108.4 51.8 -65.7 -32.7 127.1 -24.3 80.0 127 150 A N H > S+ 0 0 11 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.921 112.4 45.7 -62.9 -45.7 124.4 -23.3 77.5 128 151 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.947 115.3 47.2 -63.1 -48.8 125.8 -19.7 77.6 129 152 A R H X S+ 0 0 68 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.896 115.4 44.5 -58.4 -48.7 129.4 -20.9 77.3 130 153 A L H X S+ 0 0 11 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.837 115.4 47.3 -69.0 -35.6 128.6 -23.4 74.4 131 154 A T H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 113.1 47.2 -74.4 -45.8 126.5 -20.8 72.4 132 155 A C H X>S+ 0 0 1 -4,-2.6 5,-2.5 -5,-0.2 4,-0.9 0.891 112.5 51.7 -60.5 -40.3 129.0 -18.0 72.8 133 156 A A H ><5S+ 0 0 75 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.935 109.6 49.7 -60.9 -46.5 131.8 -20.4 71.7 134 157 A R H 3<5S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 120.3 34.6 -61.1 -40.1 129.8 -21.4 68.6 135 158 A Y H 3<5S- 0 0 27 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.368 111.1-114.3-105.2 11.3 129.1 -17.8 67.5 136 159 A G T <<5 + 0 0 65 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.845 56.5 158.7 64.1 38.7 132.4 -16.3 68.6 137 160 A V < - 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0 0 83 51,-0.0 51,-0.2 0, 0.0 2,-0.1 -0.932 360.0-111.0-131.4 155.2 100.7 -41.1 52.7 155 24 B S - 0 0 17 47,-1.8 2,-0.6 45,-0.4 51,-0.2 -0.430 27.8-119.3 -78.3 157.9 103.5 -38.7 53.5 156 25 B E E -f 206 0B 73 49,-3.4 51,-3.2 -2,-0.1 2,-0.5 -0.909 36.0-178.9 -98.1 117.6 107.2 -39.7 54.1 157 26 B V E -f 207 0B 29 -2,-0.6 2,-0.4 49,-0.2 51,-0.2 -0.986 9.9-179.5-124.9 124.5 108.2 -38.7 57.6 158 27 B V E -f 208 0B 31 49,-2.7 51,-3.0 -2,-0.5 2,-0.5 -0.977 12.3-157.0-118.0 127.9 111.7 -39.3 59.0 159 28 B V E -f 209 0B 23 -2,-0.4 2,-0.5 49,-0.2 51,-0.2 -0.962 4.2-163.0-112.4 126.1 112.4 -38.2 62.6 160 29 B L E -f 210 0B 14 49,-3.0 51,-2.5 -2,-0.5 5,-0.1 -0.929 8.1-171.1-110.6 125.9 116.1 -37.5 63.7 161 30 B Y > - 0 0 47 -2,-0.5 3,-1.8 49,-0.2 53,-0.1 -0.755 38.5-108.2-110.2 162.5 117.0 -37.5 67.4 162 31 B P T 3 S+ 0 0 5 0, 0.0 -1,-0.0 0, 0.0 51,-0.0 0.826 122.7 43.4 -60.9 -27.4 120.2 -36.4 69.2 163 32 B D T 3 S+ 0 0 93 2,-0.0 2,-0.3 65,-0.0 65,-0.0 0.098 107.5 74.3-104.2 18.7 120.9 -40.1 70.0 164 33 B T < - 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