==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-JAN-11 3QI6 . COMPND 2 MOLECULE: CYSTATHIONINE GAMMA-SYNTHASE METB (CGS); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1488 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1013 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 83 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 469 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.4 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 2 0 1 11 0 4 4 9 7 4 4 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 8 0 8 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 . 15 0 4 5 11 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 4 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 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 12 A A 0 0 90 0, 0.0 5,-0.0 0, 0.0 1108,-0.0 0.000 360.0 360.0 360.0 -86.1 13.3 -4.8 -25.8 2 13 A G > - 0 0 18 1105,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.297 360.0-118.4 -55.9 147.8 14.5 -8.4 -25.4 3 14 A L H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.866 114.1 51.2 -60.5 -37.7 12.3 -11.0 -26.9 4 15 A A H > S+ 0 0 13 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.912 112.7 49.2 -66.9 -34.7 11.5 -12.8 -23.6 5 16 A T H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.949 111.8 47.9 -62.3 -51.7 10.5 -9.4 -22.2 6 17 A R H X S+ 0 0 59 -4,-2.6 4,-2.9 1,-0.2 5,-0.5 0.926 106.2 56.0 -57.8 -42.8 8.4 -8.7 -25.3 7 18 A A H < S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.9 40.0 -58.6 -29.1 6.6 -12.1 -25.0 8 19 A I H < S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.824 132.0 15.3 -88.8 -37.7 5.7 -11.0 -21.5 9 20 A H H < S+ 0 0 47 -4,-2.1 3,-0.3 -5,-0.1 -3,-0.2 0.618 102.4 78.4-119.1 -18.5 4.8 -7.4 -21.8 10 21 A S S < S+ 0 0 64 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.841 92.1 42.6 -77.0 -33.9 4.2 -6.3 -25.4 11 22 A G S S+ 0 0 16 -5,-0.5 2,-0.3 1,-0.2 47,-0.3 0.523 116.2 32.3-100.1 -6.9 0.7 -7.4 -26.4 12 23 A Y - 0 0 54 -3,-0.3 -1,-0.2 46,-0.1 11,-0.1 -0.949 65.1-158.3-144.5 126.9 -1.5 -6.6 -23.3 13 24 A R - 0 0 73 -2,-0.3 6,-0.1 -3,-0.1 -3,-0.0 -0.882 44.9 -85.4 -97.8 138.7 -0.9 -3.7 -21.0 14 25 A P - 0 0 36 0, 0.0 7,-0.2 0, 0.0 6,-0.2 -0.123 61.2 -90.5 -48.6 138.3 -2.4 -4.0 -17.5 15 26 A D > - 0 0 16 5,-1.4 4,-2.0 7,-0.2 1139,-0.1 -0.195 23.4-144.2 -60.0 133.7 -6.0 -2.9 -17.6 16 27 A P T 4 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 1147,-0.1 0.935 99.6 47.9 -63.9 -37.6 -6.7 0.8 -16.9 17 28 A A T 4 S+ 0 0 57 1,-0.2 -2,-0.0 1145,-0.1 0, 0.0 0.868 135.0 4.7 -69.7 -38.2 -10.0 -0.0 -15.0 18 29 A T T 4 S- 0 0 10 2,-0.1 1144,-0.3 1146,-0.1 -1,-0.2 0.522 84.8-124.8-128.3 -15.6 -8.8 -2.8 -12.7 19 30 A G < + 0 0 0 -4,-2.0 1135,-2.6 1,-0.2 1136,-0.1 0.376 44.2 172.9 79.1 -4.7 -5.0 -3.2 -13.2 20 31 A A B -A 1153 0A 0 1133,-0.3 -5,-1.4 -6,-0.2 1133,-0.2 -0.081 26.4-148.6 -43.1 125.1 -5.4 -6.9 -14.0 21 32 A V S S+ 0 0 7 1131,-1.5 2,-0.3 -7,-0.2 -1,-0.2 0.734 75.6 56.0 -76.0 -22.1 -1.9 -8.1 -15.1 22 33 A N S S- 0 0 1 1130,-0.3 -7,-0.2 934,-0.2 -9,-0.1 -0.789 99.5 -93.2-107.2 152.1 -3.2 -10.7 -17.5 23 34 A A - 0 0 6 -2,-0.3 1126,-0.2 215,-0.1 -2,-0.1 -0.480 49.2-121.2 -58.5 116.2 -5.6 -10.3 -20.6 24 35 A P - 0 0 1 0, 0.0 2,-1.0 0, 0.0 1124,-0.2 -0.297 18.0-116.6 -60.3 150.5 -9.0 -11.1 -19.2 25 36 A I B -B 1147 0B 5 1122,-2.5 1122,-2.9 2,-0.1 2,-1.2 -0.866 31.1-160.1 -89.0 94.9 -10.9 -13.9 -20.9 26 37 A Y - 0 0 17 -2,-1.0 2,-1.6 1120,-0.2 26,-0.2 -0.746 9.8-173.5 -84.5 93.2 -13.9 -12.0 -22.4 27 38 A A + 0 0 6 -2,-1.2 2,-0.3 1118,-0.3 557,-0.1 -0.681 42.8 119.2 -86.4 79.6 -16.5 -14.7 -23.0 28 39 A S - 0 0 5 -2,-1.6 555,-0.3 1115,-0.1 554,-0.1 -0.983 48.0-165.0-142.3 132.2 -18.9 -12.3 -24.8 29 40 A S S S+ 0 0 0 553,-1.9 17,-2.9 -2,-0.3 18,-0.3 0.630 79.1 33.9 -90.5 -16.6 -20.0 -12.8 -28.4 30 41 A T B -C 45 0C 0 552,-0.5 1113,-1.3 15,-0.2 2,-0.4 -0.879 67.6-141.2-142.4 167.0 -21.3 -9.3 -28.5 31 42 A F B -D 1142 0D 0 13,-0.8 672,-0.4 -2,-0.3 1111,-0.3 -0.984 22.7-115.6-141.0 123.8 -20.7 -5.8 -27.2 32 43 A A - 0 0 5 1109,-3.4 8,-0.3 -2,-0.4 2,-0.3 -0.278 30.7-152.6 -58.3 144.7 -22.9 -3.0 -26.0 33 44 A Q - 0 0 10 668,-2.4 2,-0.9 6,-0.1 668,-0.3 -0.847 18.3-125.2-122.2 150.3 -22.9 0.3 -28.1 34 45 A D S S- 0 0 96 4,-3.3 660,-0.1 -2,-0.3 4,-0.1 -0.842 87.1 -30.8 -98.5 96.7 -23.5 3.9 -27.1 35 46 A G S > S- 0 0 26 -2,-0.9 3,-2.4 658,-0.2 -1,-0.1 0.161 117.2 -35.4 58.4 166.5 -26.3 4.8 -29.6 36 47 A V T 3 S- 0 0 40 654,-0.3 3,-0.1 1,-0.3 677,-0.0 -0.320 136.7 -0.5 -63.6 123.9 -26.2 3.0 -33.0 37 48 A G T 3 S+ 0 0 49 1,-0.2 2,-2.2 -2,-0.1 -1,-0.3 0.419 86.8 133.9 75.1 -0.5 -22.5 2.6 -34.0 38 49 A G < - 0 0 26 -3,-2.4 -4,-3.3 -4,-0.1 -1,-0.2 -0.576 46.0-165.6 -73.4 79.4 -21.1 4.2 -30.9 39 50 A L - 0 0 61 -2,-2.2 2,-0.6 -6,-0.2 -6,-0.1 -0.319 17.8-132.5 -74.4 153.6 -18.6 1.4 -30.5 40 51 A R B > S-E 43 0E 47 3,-0.7 3,-1.9 1100,-0.4 1099,-0.1 -0.935 87.0 -20.9-109.0 115.0 -16.7 0.8 -27.3 41 52 A G T 3 S- 0 0 60 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.714 119.3 -67.9 56.5 23.4 -13.0 0.3 -28.0 42 53 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.548 98.0 140.3 80.1 3.4 -14.0 -0.7 -31.5 43 54 A Y B < +E 40 0E 35 -3,-1.9 -3,-0.7 1,-0.1 -1,-0.2 -0.654 7.0 141.1 -86.4 132.6 -15.7 -3.9 -30.5 44 55 A E + 0 0 68 5,-0.4 -13,-0.8 -2,-0.4 659,-0.6 0.595 69.2 9.3-135.2 -34.0 -19.0 -5.0 -32.1 45 56 A Y B >> -C 30 0C 6 4,-0.3 4,-2.2 -15,-0.2 3,-0.7 -0.948 64.6-127.6-156.5 136.5 -19.1 -8.8 -32.6 46 57 A A T 34 S+ 0 0 4 -17,-2.9 -16,-0.1 -2,-0.3 -1,-0.1 0.809 106.0 53.6 -57.6 -44.8 -16.7 -11.5 -31.3 47 58 A R T 34 S+ 0 0 2 -18,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.899 112.3 47.1 -59.2 -39.6 -15.9 -13.2 -34.6 48 59 A T T <4 S- 0 0 54 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.919 136.5 -35.3 -63.6 -42.8 -14.9 -9.8 -36.1 49 60 A G < - 0 0 16 -4,-2.2 -5,-0.4 177,-0.1 -4,-0.3 -0.874 57.3-173.9-179.8 142.2 -12.8 -9.0 -33.1 50 61 A N > - 0 0 11 -2,-0.3 4,-2.5 -3,-0.2 5,-0.2 -0.992 36.8-110.3-147.5 155.0 -12.7 -9.5 -29.4 51 62 A P H > S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.845 113.6 47.8 -56.8 -41.8 -10.5 -8.2 -26.6 52 63 A T H > S+ 0 0 0 2,-0.2 4,-2.0 -26,-0.2 5,-0.1 0.936 113.4 48.0 -65.2 -46.4 -8.7 -11.5 -25.7 53 64 A R H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 108.4 55.7 -60.1 -40.6 -8.0 -12.3 -29.3 54 65 A T H X S+ 0 0 59 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.897 107.3 49.9 -55.2 -45.6 -6.6 -8.7 -29.8 55 66 A A H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.910 111.5 47.5 -57.9 -47.9 -4.2 -9.2 -27.0 56 67 A L H X S+ 0 0 5 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.946 112.0 50.0 -58.1 -45.8 -3.0 -12.5 -28.5 57 68 A E H X S+ 0 0 19 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.870 110.4 50.4 -61.9 -40.0 -2.6 -11.0 -31.9 58 69 A A H X S+ 0 0 41 -4,-2.1 4,-2.2 -47,-0.3 -1,-0.2 0.887 113.4 45.8 -66.7 -39.7 -0.6 -8.1 -30.4 59 70 A A H X S+ 0 0 7 -4,-2.1 4,-2.3 -48,-0.3 -2,-0.2 0.915 113.0 49.4 -66.2 -43.8 1.7 -10.6 -28.6 60 71 A L H X S+ 0 0 4 -4,-3.2 4,-0.7 1,-0.2 -2,-0.2 0.894 113.0 47.0 -64.9 -43.2 2.1 -12.8 -31.7 61 72 A A H ><>S+ 0 0 6 -4,-2.1 5,-2.8 -5,-0.2 3,-1.1 0.947 110.3 53.5 -62.7 -50.2 2.9 -9.8 -33.8 62 73 A A H ><5S+ 0 0 18 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.907 104.1 54.3 -51.8 -44.7 5.4 -8.5 -31.2 63 74 A V H 3<5S+ 0 0 3 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.660 114.3 40.6 -74.1 -17.5 7.4 -11.7 -31.0 64 75 A E T <<5S- 0 0 2 -3,-1.1 -1,-0.3 -4,-0.7 120,-0.2 0.310 113.1-115.5-106.5 12.6 8.0 -11.8 -34.7 65 76 A D T < 5 + 0 0 113 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.791 67.6 150.3 58.0 33.3 8.6 -8.0 -34.9 66 77 A A < - 0 0 13 -5,-2.8 -1,-0.2 -6,-0.2 147,-0.2 -0.664 51.9-147.7-102.1 145.2 5.5 -7.8 -37.1 67 78 A A S S+ 0 0 66 -2,-0.3 2,-0.4 145,-0.3 146,-0.2 0.761 85.9 43.9 -78.4 -25.4 3.1 -4.9 -37.4 68 79 A F E +F 212 0F 50 144,-2.3 144,-1.8 -7,-0.1 2,-0.3 -0.960 60.3 178.0-131.3 139.1 0.1 -7.2 -37.9 69 80 A G E -F 211 0F 10 -2,-0.4 2,-0.3 142,-0.2 142,-0.2 -0.982 4.8-174.2-136.9 145.8 -1.1 -10.4 -36.3 70 81 A R E -F 210 0F 40 140,-2.1 140,-1.9 -2,-0.3 2,-0.4 -0.993 13.1-151.0-140.1 128.5 -4.2 -12.6 -36.8 71 82 A A E -F 209 0F 2 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.879 14.7-173.7-106.3 145.1 -5.1 -15.7 -34.6 72 83 A F E -F 208 0F 4 136,-2.5 136,-1.9 -2,-0.4 159,-0.3 -0.818 40.0-102.0-131.8 167.1 -7.1 -18.7 -35.9 73 84 A S S S- 0 0 3 157,-1.7 2,-0.3 -2,-0.3 158,-0.1 0.538 101.2 -4.7 -71.0 -6.0 -8.6 -21.9 -34.5 74 85 A S S > S- 0 0 0 156,-0.3 4,-1.7 1,-0.1 134,-0.5 -0.952 73.8-101.6-174.4 156.3 -5.7 -24.0 -35.7 75 86 A G H > S+ 0 0 0 132,-0.8 4,-2.6 -2,-0.3 5,-0.2 0.918 122.8 56.3 -53.8 -45.1 -2.5 -23.8 -37.7 76 87 A M H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.812 104.6 51.3 -51.6 -40.5 -4.5 -25.4 -40.6 77 88 A A H > S+ 0 0 4 531,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.833 109.6 50.5 -66.7 -36.0 -7.1 -22.6 -40.5 78 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.927 112.9 47.0 -64.3 -43.7 -4.2 -20.1 -40.6 79 90 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.928 110.8 50.4 -63.9 -44.6 -2.8 -22.0 -43.6 80 91 A D H X S+ 0 0 9 -4,-2.8 4,-2.4 527,-0.3 5,-0.2 0.922 112.2 48.9 -63.4 -39.5 -6.3 -22.1 -45.4 81 92 A C H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.952 110.9 50.1 -63.4 -45.0 -6.6 -18.3 -44.8 82 93 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.926 114.2 43.2 -59.5 -47.2 -3.2 -17.7 -46.2 83 94 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.889 117.2 45.9 -65.7 -43.2 -3.8 -19.7 -49.4 84 95 A R H < S+ 0 0 12 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.797 113.3 50.9 -71.8 -31.1 -7.3 -18.3 -49.9 85 96 A A H < S+ 0 0 14 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.861 121.8 30.7 -70.6 -36.5 -6.1 -14.7 -49.3 86 97 A M H < S+ 0 0 21 -4,-1.7 2,-0.3 -5,-0.2 -2,-0.2 0.553 114.9 56.3-107.2 -11.8 -3.2 -15.0 -51.7 87 98 A L < + 0 0 0 -4,-1.9 29,-0.1 -5,-0.2 50,-0.0 -0.887 50.4 179.9-119.8 161.3 -4.4 -17.4 -54.5 88 99 A R > - 0 0 107 -2,-0.3 3,-2.4 27,-0.1 405,-0.1 -0.888 51.1 -57.2-141.6 177.3 -7.3 -17.7 -56.9 89 100 A P T 3 S+ 0 0 28 0, 0.0 27,-0.2 0, 0.0 26,-0.2 -0.281 125.5 23.5 -63.7 138.4 -8.4 -20.2 -59.5 90 101 A G T 3 S+ 0 0 42 25,-3.1 26,-0.2 1,-0.4 2,-0.1 0.266 96.7 117.0 88.8 -7.3 -5.7 -20.6 -62.0 91 102 A D < - 0 0 34 -3,-2.4 26,-2.4 24,-0.1 -1,-0.4 -0.399 53.2-140.1 -86.6 170.9 -2.9 -19.4 -59.7 92 103 A H E -gh 117 137F 0 44,-2.0 46,-2.0 24,-0.2 47,-1.0 -0.952 7.8-155.2-133.7 149.0 -0.0 -21.7 -58.7 93 104 A V E -gh 118 139F 0 24,-2.3 26,-1.9 -2,-0.3 2,-0.4 -0.994 11.5-142.7-126.3 138.4 2.0 -22.3 -55.5 94 105 A V E -gh 119 140F 0 45,-2.1 47,-3.1 -2,-0.4 35,-0.0 -0.821 31.7-175.8 -90.6 132.4 5.5 -23.7 -55.1 95 106 A I E -g 120 0F 2 24,-2.4 26,-2.5 -2,-0.4 47,-0.1 -0.869 31.7 -91.6-131.4 162.0 5.7 -26.0 -52.1 96 107 A P E > -g 121 0F 0 0, 0.0 3,-0.7 0, 0.0 26,-0.2 -0.378 30.1-134.1 -70.3 148.9 8.3 -28.0 -50.1 97 108 A D T 3 S+ 0 0 30 24,-1.5 251,-2.3 1,-0.3 25,-0.1 0.596 107.6 38.3 -82.6 -10.6 8.7 -31.6 -51.4 98 109 A D T 3 S+ 0 0 11 23,-0.3 49,-0.3 249,-0.2 -1,-0.3 -0.465 88.2 157.1-133.4 61.3 8.6 -32.7 -47.8 99 110 A A < - 0 0 8 -3,-0.7 47,-0.1 1,-0.2 43,-0.0 -0.383 57.4 -72.9 -79.4 164.6 6.1 -30.3 -46.3 100 111 A Y >> - 0 0 36 1,-0.1 4,-2.4 -2,-0.1 3,-0.8 -0.316 49.2-121.1 -51.3 125.3 4.0 -31.0 -43.2 101 112 A G H 3> S+ 0 0 45 46,-0.3 4,-2.7 1,-0.2 5,-0.2 0.836 109.5 54.6 -48.6 -33.1 1.4 -33.7 -44.2 102 113 A G H 3> S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 108.2 46.7 -70.5 -36.7 -1.5 -31.4 -43.3 103 114 A T H <> S+ 0 0 2 -3,-0.8 4,-2.3 2,-0.2 5,-0.3 0.929 115.2 47.7 -66.9 -50.8 -0.4 -28.5 -45.5 104 115 A F H X S+ 0 0 15 -4,-2.4 4,-3.4 1,-0.2 5,-0.4 0.942 111.9 48.6 -59.6 -44.3 0.2 -30.9 -48.3 105 116 A R H X>S+ 0 0 69 -4,-2.7 4,-2.6 -5,-0.2 5,-0.7 0.920 110.7 50.6 -62.4 -43.5 -3.2 -32.6 -47.9 106 117 A L H X>S+ 0 0 2 -4,-2.6 5,-2.3 3,-0.2 4,-1.4 0.933 118.7 38.9 -59.0 -43.7 -5.1 -29.3 -47.8 107 118 A I H <>S+ 0 0 2 -4,-2.3 5,-1.4 3,-0.2 -2,-0.2 0.948 123.3 38.7 -71.5 -47.5 -3.3 -28.2 -51.1 108 119 A D H <5S+ 0 0 38 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.848 127.1 32.2 -77.6 -36.2 -3.3 -31.5 -52.9 109 120 A K H <5S+ 0 0 111 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.765 133.7 20.1 -91.0 -34.6 -6.8 -32.7 -51.8 110 121 A V T >< XS+ 0 0 6 -5,-2.3 5,-1.9 1,-0.2 3,-1.5 0.831 104.6 61.6 -64.7 -27.5 -7.1 -26.6 -53.4 112 123 A T G > - 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0 0 37 -3,-0.9 3,-1.8 -4,-0.5 -4,-0.0 -0.684 68.7-143.3 -96.4 129.6 -48.3 1.6 -30.3 648 280 B P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.594 95.3 67.2 -75.1 -7.8 -48.7 4.6 -32.6 649 281 B A T 3 S+ 0 0 26 34,-0.1 34,-2.2 33,-0.1 35,-0.5 0.564 93.1 75.7 -75.4 -13.7 -44.9 5.0 -33.1 650 282 B I E < +B 682 0O 17 -3,-1.8 32,-0.2 -6,-0.3 3,-0.1 -0.905 50.6 179.0-108.8 129.5 -44.9 1.7 -35.0 651 283 B S E S+ 0 0 73 30,-2.4 2,-0.3 -2,-0.4 31,-0.1 0.783 74.0 18.2 -94.1 -33.4 -46.2 1.3 -38.6 652 284 B T E -B 681 0O 59 29,-1.0 29,-2.1 2,-0.0 2,-0.4 -0.998 59.0-159.3-143.3 139.6 -45.5 -2.4 -39.1 653 285 B V E -B 680 0O 19 -2,-0.3 2,-0.5 27,-0.2 27,-0.2 -0.984 8.4-160.3-120.8 128.4 -44.7 -5.4 -36.8 654 286 B L E +B 679 0O 21 25,-2.9 25,-2.1 -2,-0.4 -124,-0.0 -0.968 32.3 138.9-109.4 114.1 -43.0 -8.4 -38.2 655 287 B Y > - 0 0 9 -2,-0.5 3,-1.4 23,-0.2 6,-0.2 -0.950 51.3-135.2-157.4 124.0 -43.5 -11.6 -36.1 656 288 B P T 3 S+ 0 0 1 0, 0.0 12,-0.2 0, 0.0 5,-0.1 0.796 102.4 62.5 -57.3 -26.1 -44.2 -15.0 -37.5 657 289 B G T 3 S+ 0 0 19 17,-0.2 18,-0.1 18,-0.1 -19,-0.0 0.665 78.3 99.6 -73.4 -20.7 -47.0 -15.6 -34.9 658 290 B L S X S- 0 0 40 -3,-1.4 3,-1.8 1,-0.1 6,-0.1 -0.568 75.1-134.6 -69.2 129.2 -49.2 -12.7 -36.2 659 291 B P T 3 S+ 0 0 109 0, 0.0 6,-0.2 0, 0.0 5,-0.2 0.764 105.0 51.4 -52.9 -32.0 -52.0 -14.0 -38.4 660 292 B S T 3 S+ 0 0 104 4,-0.1 -3,-0.1 2,-0.1 -2,-0.0 0.412 81.1 115.9 -90.0 -3.6 -51.4 -11.2 -40.9 661 293 B H S X S- 0 0 9 -3,-1.8 3,-2.4 -6,-0.2 4,-0.3 -0.517 80.5-106.0 -64.5 128.0 -47.6 -11.9 -41.2 662 294 B P T 3 S+ 0 0 101 0, 0.0 -131,-0.4 0, 0.0 -1,-0.1 -0.376 107.9 17.0 -54.6 127.7 -46.7 -13.0 -44.7 663 295 B G T 3> S+ 0 0 31 -133,-0.1 4,-2.9 -4,-0.1 5,-0.2 0.480 82.8 135.1 87.8 1.8 -46.1 -16.8 -44.5 664 296 B H H <> S+ 0 0 43 -3,-2.4 4,-2.8 1,-0.2 5,-0.2 0.880 72.2 49.6 -51.2 -45.8 -47.8 -17.2 -41.1 665 297 B A H > S+ 0 0 70 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.913 111.1 49.0 -70.1 -31.0 -49.6 -20.3 -42.2 666 298 B V H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.963 113.5 48.4 -62.7 -45.2 -46.4 -21.9 -43.6 667 299 B A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.882 109.5 51.7 -59.2 -45.6 -44.7 -21.0 -40.2 668 300 B A H < S+ 0 0 53 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.834 109.9 52.0 -59.1 -33.6 -47.7 -22.5 -38.3 669 301 B R H < S+ 0 0 154 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.856 123.4 23.3 -70.4 -35.3 -47.2 -25.7 -40.3 670 302 B Q H < S+ 0 0 18 -4,-1.4 -109,-0.5 -3,-0.2 2,-0.4 0.486 109.9 69.5-119.6 -10.3 -43.4 -26.2 -39.7 671 303 B M < - 0 0 12 -4,-2.0 -111,-0.2 -5,-0.2 3,-0.1 -0.925 61.9-149.9-115.8 139.7 -42.6 -24.4 -36.5 672 304 B R S S+ 0 0 172 -113,-3.2 2,-0.3 -2,-0.4 -112,-0.1 0.556 88.4 1.7 -78.1 -17.9 -43.7 -25.6 -33.0 673 305 B G S S- 0 0 16 -114,-0.4 -1,-0.2 -6,-0.1 -42,-0.0 -0.930 78.4-109.7-163.2 168.9 -43.7 -21.9 -31.8 674 306 B F - 0 0 50 -2,-0.3 3,-0.3 1,-0.2 -17,-0.2 0.490 55.7-127.0-105.7 2.0 -43.0 -18.6 -33.4 675 307 B G - 0 0 6 1,-0.2 -1,-0.2 -45,-0.1 -18,-0.1 0.042 20.4 -73.9 100.8 173.3 -39.7 -17.5 -31.8 676 308 B G S S+ 0 0 1 -122,-0.4 59,-2.4 -39,-0.1 2,-0.4 0.398 89.3 94.5 -90.3 1.3 -38.0 -14.8 -30.0 677 309 B M E + C 0 734O 8 -3,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.812 41.2 174.3-106.4 135.6 -37.3 -12.2 -32.8 678 310 B V E - C 0 733O 0 55,-2.4 55,-3.4 -2,-0.4 2,-0.3 -1.000 7.8-169.0-131.9 136.2 -39.5 -9.3 -33.6 679 311 B S E -BC 654 732O 0 -25,-2.1 -25,-2.9 -2,-0.4 2,-0.3 -0.936 8.3-174.7-121.3 150.2 -38.8 -6.5 -36.0 680 312 B V E -BC 653 731O 0 51,-2.4 51,-2.6 -2,-0.3 2,-0.4 -0.978 20.4-132.1-140.2 153.8 -40.7 -3.3 -36.4 681 313 B R E -BC 652 730O 89 -29,-2.1 -30,-2.4 -2,-0.3 -29,-1.0 -0.912 25.2-129.0-109.1 139.5 -40.8 -0.3 -38.7 682 314 B M E > -B 650 0O 4 47,-2.2 3,-1.9 -2,-0.4 -32,-0.2 -0.721 1.8-146.9 -95.1 124.7 -40.8 3.1 -37.2 683 315 B R T 3 S+ 0 0 68 -34,-2.2 -1,-0.1 -2,-0.5 -33,-0.1 0.846 101.9 51.2 -52.5 -37.6 -43.5 5.7 -38.4 684 316 B A T 3 S- 0 0 81 -35,-0.5 3,-0.3 1,-0.3 4,-0.3 0.303 109.0-136.0 -96.0 5.1 -41.1 8.5 -37.9 685 317 B G <> - 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