==== 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 14-SEP-09 3JU7 . COMPND 2 MOLECULE: PUTATIVE PLP-DEPENDENT AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 10987; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 736 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 0 0 0 3 4 5 3 4 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 10 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 12 2 0 4 2 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 . 2 0 2 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 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 2 A E 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.8 18.1 86.3 71.9 2 3 A N - 0 0 66 309,-0.0 309,-0.2 310,-0.0 308,-0.1 -0.754 360.0-132.0 -91.8 144.8 19.6 82.7 72.2 3 4 A I B -a 311 0A 11 307,-2.5 309,-2.6 -2,-0.3 2,-0.1 -0.884 30.0-152.2 -95.2 108.0 17.4 79.8 71.2 4 5 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 307,-0.0 -0.463 17.2-122.6 -81.6 160.7 17.7 77.4 74.2 5 6 A F S S+ 0 0 13 1,-0.2 345,-0.6 -2,-0.1 2,-0.4 0.932 93.6 27.2 -70.7 -47.1 17.4 73.7 73.9 6 7 A L + 0 0 72 343,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.926 53.1 169.3-120.8 140.8 14.6 73.3 76.4 7 8 A R - 0 0 102 -2,-0.4 345,-0.3 343,-0.2 390,-0.1 -0.649 22.5-160.7-145.8 85.0 11.9 75.7 77.5 8 9 A A - 0 0 16 388,-0.4 2,-0.2 -2,-0.2 180,-0.1 -0.349 10.3-174.0 -64.8 143.4 9.4 73.9 79.6 9 10 A S - 0 0 23 178,-0.3 183,-0.2 183,-0.1 2,-0.1 -0.771 4.9-175.2-137.5 97.9 6.0 75.4 80.1 10 11 A T - 0 0 8 -2,-0.2 183,-0.1 1,-0.2 3,-0.1 -0.433 48.6 -75.1 -79.1 162.5 3.8 73.5 82.6 11 12 A V - 0 0 7 181,-0.4 -1,-0.2 229,-0.1 233,-0.1 -0.339 59.8-106.3 -58.1 137.6 0.2 74.7 83.0 12 13 A P > - 0 0 61 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.273 29.5-102.9 -65.6 159.3 0.1 77.9 85.1 13 14 A V G >> S+ 0 0 1 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.811 115.5 66.9 -54.5 -35.2 -1.2 77.9 88.7 14 15 A I G >4 S+ 0 0 118 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.854 94.9 61.6 -57.5 -30.0 -4.6 79.3 87.9 15 16 A E G <4 S+ 0 0 44 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.695 116.4 26.4 -71.6 -24.9 -5.4 76.1 86.0 16 17 A Y G <> S+ 0 0 4 -3,-1.6 4,-1.9 -4,-0.4 -1,-0.2 0.113 88.4 105.5-121.1 22.4 -5.1 73.8 89.1 17 18 A L H S+ 0 0 118 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 108.1 48.8 -46.9 -46.2 -9.4 74.7 92.5 19 20 A E H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.902 107.9 53.9 -65.4 -40.1 -7.7 71.3 93.0 20 21 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 107.6 51.5 -59.1 -39.8 -5.2 72.9 95.4 21 22 A K H X S+ 0 0 128 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 108.1 52.3 -61.5 -42.9 -8.3 74.3 97.4 22 23 A E H X S+ 0 0 75 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.929 109.0 49.5 -56.3 -46.1 -9.7 70.7 97.4 23 24 A I H X>S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 5,-0.8 0.919 111.5 48.2 -59.8 -45.0 -6.4 69.4 98.8 24 25 A D H <5S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.9 47.2 -65.9 -36.4 -6.4 72.1 101.5 25 26 A A H <5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 116.2 44.2 -71.0 -34.4 -10.0 71.3 102.4 26 27 A S H <5S- 0 0 49 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.705 90.4-143.6 -83.3 -22.7 -9.5 67.5 102.5 27 28 A H T <5 + 0 0 52 -4,-1.7 350,-0.5 1,-0.2 2,-0.5 0.864 61.1 125.2 53.5 37.2 -6.2 67.5 104.4 28 29 A I < + 0 0 76 -5,-0.8 -1,-0.2 1,-0.1 -2,-0.2 -0.998 26.5 163.2-123.0 121.1 -5.1 64.5 102.3 29 30 A Y - 0 0 5 -2,-0.5 206,-2.8 1,-0.1 207,-0.6 0.544 55.9 -14.6-117.0 -17.3 -1.8 65.3 100.7 30 31 A T S S+ 0 0 10 204,-0.3 204,-0.1 1,-0.1 -1,-0.1 -0.888 80.1 88.9-165.4-166.9 -0.3 62.1 99.4 31 32 A N S S- 0 0 62 -2,-0.2 -1,-0.1 1,-0.2 203,-0.1 0.971 118.9 -41.5 61.7 59.4 -0.5 58.2 99.5 32 33 A Y S S- 0 0 48 201,-0.4 -1,-0.2 -3,-0.1 202,-0.1 0.899 90.0-178.5 58.0 47.1 -2.9 57.6 96.7 33 34 A G > - 0 0 4 1,-0.1 4,-2.8 3,-0.0 5,-0.2 -0.028 43.1 -89.9 -69.0 175.7 -5.3 60.4 97.6 34 35 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.790 125.5 51.7 -63.8 -29.7 -8.5 61.3 95.9 35 36 A I H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.917 111.2 48.7 -74.8 -41.9 -6.9 63.7 93.4 36 37 A N H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 112.3 47.9 -59.8 -45.5 -4.4 61.1 92.4 37 38 A Q H X S+ 0 0 117 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.920 112.0 50.6 -60.3 -41.0 -7.2 58.5 92.0 38 39 A R H X S+ 0 0 94 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.932 109.1 51.4 -63.2 -42.1 -9.2 61.1 90.0 39 40 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.923 112.0 45.7 -59.4 -46.6 -6.1 61.7 87.8 40 41 A E H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.868 112.1 51.0 -66.6 -38.1 -5.7 57.9 87.1 41 42 A Q H X S+ 0 0 56 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.877 109.1 52.3 -67.1 -35.2 -9.4 57.5 86.4 42 43 A T H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.847 110.3 48.1 -68.6 -36.1 -9.2 60.4 84.0 43 44 A I H X>S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-1.5 0.915 110.5 51.0 -68.7 -43.8 -6.3 58.7 82.2 44 45 A X H <5S+ 0 0 21 -4,-2.4 6,-3.0 3,-0.2 7,-0.3 0.928 119.6 36.3 -61.3 -43.5 -8.1 55.3 82.1 45 46 A S H <5S+ 0 0 72 -4,-2.3 4,-0.3 4,-0.2 -1,-0.2 0.893 123.5 42.3 -73.2 -43.2 -11.2 56.9 80.5 46 47 A G H <5S+ 0 0 47 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.904 133.2 10.3 -76.6 -42.8 -9.4 59.4 78.4 47 48 A F T <5S+ 0 0 14 -4,-3.2 125,-0.6 -5,-0.2 -3,-0.2 0.824 125.5 44.6-107.2 -39.8 -6.6 57.4 77.0 48 49 A F S > - 0 0 1 172,-0.2 4,-1.7 136,-0.2 138,-0.3 -0.948 68.5-108.3-163.3 160.8 9.1 59.8 88.6 60 61 A A H > S+ 0 0 0 136,-0.7 4,-2.7 -2,-0.3 5,-0.2 0.788 114.3 62.1 -65.5 -29.8 9.6 57.3 85.6 61 62 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.962 107.7 43.1 -62.0 -45.8 13.0 56.2 86.8 62 63 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.834 111.9 54.7 -67.1 -33.2 11.4 54.8 90.0 63 64 A G H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.919 107.3 50.1 -64.9 -42.2 8.6 53.4 87.9 64 65 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.960 112.2 48.6 -57.6 -49.0 11.1 51.6 85.8 65 66 A X H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.905 112.8 46.3 -57.8 -46.9 12.7 50.3 89.0 66 67 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.948 114.6 47.7 -60.4 -51.9 9.4 49.1 90.5 67 68 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.910 114.0 44.8 -60.2 -48.4 8.3 47.4 87.2 68 69 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.934 112.7 52.1 -62.4 -47.3 11.6 45.5 86.6 69 70 A Q H < S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.925 115.7 41.6 -55.6 -47.9 11.8 44.4 90.3 70 71 A L H < S+ 0 0 39 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.914 124.3 34.9 -63.1 -44.5 8.2 43.0 90.1 71 72 A K H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.641 85.8 113.3 -95.8 -16.9 8.5 41.4 86.7 72 73 A K S < S- 0 0 46 -4,-2.7 2,-0.3 -5,-0.2 58,-0.2 -0.243 74.7-109.3 -60.9 143.8 12.1 40.2 86.4 73 74 A R > - 0 0 77 56,-2.8 3,-1.5 1,-0.1 -1,-0.1 -0.589 28.4-133.0 -72.8 130.1 12.6 36.4 86.3 74 75 A K T 3 S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.3 55,-0.1 0.715 100.8 45.9 -67.5 -22.2 14.1 35.5 89.6 75 76 A K T 3 S+ 0 0 118 53,-0.1 -1,-0.3 54,-0.1 54,-0.1 0.602 92.4 105.7 -94.5 -7.2 16.9 33.4 88.2 76 77 A G < - 0 0 15 -3,-1.5 52,-0.2 52,-0.2 51,-0.2 -0.284 46.3-169.4 -78.9 157.6 18.0 35.8 85.4 77 78 A K + 0 0 87 50,-2.5 22,-2.7 1,-0.1 2,-0.3 0.625 61.7 62.8-114.3 -28.4 21.1 38.0 85.4 78 79 A Y E -fg 99 128C 9 49,-2.4 51,-2.7 20,-0.2 52,-1.5 -0.816 54.6-153.0-116.1 146.3 20.6 40.4 82.4 79 80 A A E -fg 100 130C 0 20,-2.5 22,-2.3 -2,-0.3 2,-0.5 -0.968 26.1-145.6-107.3 110.7 18.2 43.1 81.3 80 81 A L E +fg 101 131C 0 50,-2.7 52,-3.0 -2,-0.6 22,-0.2 -0.705 41.0 138.6 -82.1 121.2 18.3 43.1 77.5 81 82 A X E -f 102 0C 0 20,-1.7 22,-2.0 -2,-0.5 2,-0.1 -0.973 53.9 -85.4-152.7 164.8 17.9 46.7 76.2 82 83 A P E -f 103 0C 2 0, 0.0 22,-0.1 0, 0.0 3,-0.1 -0.429 19.3-144.5 -71.3 153.9 19.2 49.1 73.7 83 84 A S S S+ 0 0 0 20,-0.6 2,-2.3 1,-0.1 238,-2.0 0.775 91.5 80.8 -77.0 -34.9 22.3 51.2 74.4 84 85 A F S S+ 0 0 0 236,-0.2 2,-0.3 237,-0.1 -1,-0.1 -0.466 78.4 90.4 -76.9 78.5 20.7 54.0 72.4 85 86 A T S S- 0 0 0 -2,-2.3 236,-0.3 -4,-0.1 232,-0.1 -0.933 86.8 -76.0-157.7 172.6 18.5 55.2 75.3 86 87 A F > - 0 0 26 -2,-0.3 3,-1.8 1,-0.1 234,-0.0 -0.517 48.7-112.8 -75.9 148.1 18.6 57.7 78.2 87 88 A P T 3> S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.713 107.5 80.1 -62.2 -18.0 20.7 56.4 81.2 88 89 A A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.852 88.1 60.2 -49.6 -34.0 17.7 56.1 83.4 89 90 A T H <> S+ 0 0 0 -3,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.966 109.9 34.6 -70.2 -55.2 17.0 52.7 81.7 90 91 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 117.0 56.2 -67.0 -33.5 20.2 50.8 82.5 91 92 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.922 103.7 54.5 -58.1 -42.5 20.4 52.5 85.9 92 93 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.920 110.6 46.4 -57.3 -40.2 17.0 51.2 86.7 93 94 A A H <>S+ 0 0 0 -4,-1.4 5,-2.7 1,-0.2 3,-0.4 0.903 109.5 52.7 -69.5 -43.7 18.2 47.6 85.9 94 95 A I H ><5S+ 0 0 30 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.870 105.8 54.4 -61.8 -39.2 21.4 47.9 87.9 95 96 A W H 3<5S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.781 105.1 54.9 -66.6 -27.6 19.4 49.0 91.0 96 97 A C T 3<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.311 126.8-104.1 -83.4 6.7 17.3 45.8 90.6 97 98 A G T < 5S+ 0 0 64 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.684 80.9 125.3 81.5 18.3 20.5 43.9 90.7 98 99 A L < - 0 0 10 -5,-2.7 -1,-0.3 -6,-0.1 -20,-0.2 -0.687 57.2-127.8-106.3 162.0 20.7 43.1 87.0 99 100 A E E -f 78 0C 65 -22,-2.7 -20,-2.5 -2,-0.2 2,-0.1 -0.911 27.8-122.0 -99.8 131.3 23.4 43.7 84.4 100 101 A P E -f 79 0C 0 0, 0.0 231,-0.4 0, 0.0 2,-0.4 -0.453 21.3-161.9 -63.4 148.0 22.3 45.5 81.3 101 102 A Y E -f 80 0C 18 -22,-2.3 -20,-1.7 229,-0.1 231,-0.3 -0.935 19.3-137.5-130.1 107.6 23.0 43.5 78.1 102 103 A F E -fh 81 332C 0 229,-2.5 231,-2.5 -2,-0.4 2,-0.4 -0.499 16.4-164.6 -83.6 137.9 23.0 45.9 75.2 103 104 A I E -f 82 0C 0 -22,-2.0 -20,-0.6 -2,-0.2 232,-0.1 -0.944 25.0-111.2-119.0 133.1 21.3 45.0 71.9 104 105 A D - 0 0 5 230,-0.5 9,-2.5 -2,-0.4 2,-0.2 -0.089 30.7-130.0 -59.0 159.2 21.9 46.9 68.6 105 106 A I B -J 112 0D 0 7,-0.3 7,-0.2 230,-0.1 2,-0.2 -0.690 23.3 -96.2-108.4 159.9 19.1 49.0 66.9 106 107 A S > - 0 0 23 5,-2.5 4,-1.2 -2,-0.2 -1,-0.0 -0.554 32.0-128.8 -68.1 141.5 17.7 49.2 63.4 107 108 A I T 4 S+ 0 0 70 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.720 101.1 37.1 -68.5 -18.9 19.3 52.0 61.4 108 109 A D T 4 S+ 0 0 78 3,-0.1 172,-2.4 171,-0.1 -1,-0.2 0.875 126.2 26.3-103.3 -46.7 15.9 53.5 60.4 109 110 A D T 4 S- 0 0 42 170,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.602 90.5-139.1 -95.0 -12.7 13.4 53.2 63.2 110 111 A W < + 0 0 0 -4,-1.2 2,-0.2 1,-0.3 26,-0.2 0.646 57.3 128.7 61.5 22.3 16.1 53.2 66.0 111 112 A Y S S- 0 0 11 1,-0.1 -5,-2.5 24,-0.1 -1,-0.3 -0.652 75.4 -74.6 -93.5 162.9 14.4 50.6 68.0 112 113 A X B -J 105 0D 4 22,-0.3 2,-0.7 -7,-0.2 -7,-0.3 -0.298 55.5-112.5 -51.1 128.4 16.0 47.5 69.4 113 114 A D > - 0 0 22 -9,-2.5 4,-2.4 1,-0.2 3,-0.4 -0.664 23.8-153.0 -74.6 113.2 16.4 45.1 66.4 114 115 A K H > S+ 0 0 58 -2,-0.7 4,-2.8 1,-0.3 5,-0.2 0.811 90.8 56.5 -63.7 -31.7 14.0 42.2 67.2 115 116 A T H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.936 111.4 42.5 -62.1 -47.2 15.9 39.7 65.2 116 117 A V H > S+ 0 0 39 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.903 113.9 52.6 -68.8 -37.1 19.1 40.3 67.2 117 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.945 110.1 48.2 -62.8 -48.4 17.1 40.4 70.4 118 119 A W H X S+ 0 0 81 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.899 110.0 50.8 -58.1 -46.8 15.4 37.0 69.7 119 120 A D H X S+ 0 0 100 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.943 112.4 48.3 -61.1 -40.1 18.7 35.3 68.8 120 121 A K H X S+ 0 0 23 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.886 108.8 51.4 -69.6 -39.3 20.1 36.7 72.0 121 122 A I H X S+ 0 0 25 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.956 111.7 49.7 -57.9 -45.0 17.1 35.5 74.1 122 123 A E H < S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 113.8 45.0 -62.7 -34.4 17.6 32.0 72.5 123 124 A E H < S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 119.5 38.9 -76.2 -41.0 21.3 32.1 73.3 124 125 A L H >< S+ 0 0 12 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.775 78.9 165.5 -86.0 -29.7 21.0 33.3 76.9 125 126 A K G >< S+ 0 0 88 -4,-2.8 3,-2.8 -5,-0.3 -1,-0.2 -0.202 71.7 12.7 53.4-129.1 17.9 31.4 78.0 126 127 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -50,-0.1 -2,-0.1 0.658 118.3 72.2 -55.2 -18.4 17.5 31.4 81.8 127 128 A E G < S+ 0 0 77 -3,-2.2 -50,-2.5 -51,-0.2 -49,-2.4 0.740 75.7 94.8 -71.9 -16.8 20.1 34.1 82.1 128 129 A V E < +g 78 0C 0 -3,-2.8 -52,-0.2 -52,-0.2 -49,-0.1 -0.620 46.7 171.7 -73.6 120.4 17.6 36.6 80.6 129 130 A A E - 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