==== 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 ISOMERASE 27-AUG-09 3IST . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR K.A.MAJOREK,M.CHRUSZCZ,T.SKARINA,O.ONOPRIYENKO,J.STAM,W.F.AN . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 15.4 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 . 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 . 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 . 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 3 0 3 2 2 5 1 0 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 5 3 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 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 2 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 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 S 0 0 119 0, 0.0 232,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 161.5 8.6 36.5 -15.5 2 -1 A N + 0 0 32 230,-0.1 3,-0.3 2,-0.1 233,-0.1 0.213 360.0 108.1-108.7 5.9 6.6 33.9 -13.6 3 0 A A S S+ 0 0 85 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.756 77.0 48.6 -64.7 -26.7 9.6 31.7 -12.7 4 1 A X S S+ 0 0 124 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.905 95.8 80.2 -79.3 -34.3 9.8 32.7 -9.1 5 2 A K - 0 0 9 -3,-0.3 2,-0.5 228,-0.1 26,-0.0 -0.502 62.7-166.3 -77.4 127.4 6.1 32.1 -8.3 6 3 A Q - 0 0 92 -2,-0.3 26,-0.4 26,-0.0 62,-0.1 -0.951 20.2-121.9-112.1 142.2 5.2 28.5 -7.8 7 4 A A - 0 0 1 -2,-0.5 62,-3.2 59,-0.3 63,-0.6 -0.330 6.3-126.8 -81.5 153.6 1.6 27.5 -7.8 8 5 A I E -ab 33 70A 0 24,-2.7 26,-2.5 60,-0.2 2,-0.3 -0.899 36.3-136.7 -87.8 125.4 -0.6 25.8 -5.3 9 6 A G E -ab 34 71A 0 61,-3.0 63,-2.7 -2,-0.5 2,-0.4 -0.679 20.2-170.6 -89.0 143.7 -2.2 22.9 -7.0 10 7 A F E -ab 35 72A 0 24,-2.0 26,-2.9 -2,-0.3 2,-0.4 -0.993 1.2-171.1-132.7 135.4 -5.8 21.9 -6.7 11 8 A I E +ab 36 73A 0 61,-2.3 63,-1.7 -2,-0.4 2,-0.3 -0.926 17.0 143.5-129.4 141.4 -7.5 18.7 -7.9 12 9 A D E -a 37 0A 1 24,-1.8 26,-2.7 -2,-0.4 63,-0.1 -0.973 57.5-101.8-162.5 166.4 -11.1 17.7 -8.1 13 10 A S S S- 0 0 9 -2,-0.3 29,-0.3 24,-0.3 28,-0.2 0.621 94.3 -41.3 -72.8 -15.0 -13.6 15.9 -10.3 14 11 A G S S- 0 0 0 22,-0.2 3,-0.2 24,-0.1 25,-0.1 -0.565 107.6 -19.9-172.5-126.9 -15.1 19.1 -11.7 15 12 A V S > S+ 0 0 2 -2,-0.2 3,-1.8 1,-0.1 4,-0.3 0.558 103.5 90.6 -87.0 -12.4 -16.0 22.5 -10.5 16 13 A G T > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.874 77.2 63.7 -54.8 -42.7 -16.3 21.7 -6.7 17 14 A G T >> S+ 0 0 0 1,-0.3 4,-2.0 -3,-0.2 3,-1.5 0.743 83.9 78.0 -56.5 -18.6 -12.7 22.5 -5.9 18 15 A L H <> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.3 -1,-0.3 0.751 81.5 67.2 -62.8 -23.9 -13.4 26.1 -6.9 19 16 A T H <> S+ 0 0 1 -3,-2.3 4,-0.6 -4,-0.3 -1,-0.3 0.785 105.6 42.1 -67.7 -26.3 -15.1 26.5 -3.5 20 17 A V H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 3,-0.5 0.885 111.5 55.5 -80.0 -40.9 -11.7 26.0 -2.0 21 18 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.900 101.2 58.8 -54.3 -45.4 -10.0 28.2 -4.6 22 19 A R H X S+ 0 0 90 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.899 108.2 44.3 -54.6 -41.7 -12.4 31.1 -3.8 23 20 A E H X S+ 0 0 29 -4,-0.6 4,-2.9 -3,-0.5 5,-0.3 0.811 110.7 54.8 -77.5 -30.5 -11.2 31.1 -0.1 24 21 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 7,-0.2 0.919 104.8 53.5 -63.3 -43.0 -7.6 30.8 -1.2 25 22 A L H < S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.7 42.3 -56.3 -34.5 -8.0 33.9 -3.4 26 23 A K H < S+ 0 0 60 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.945 122.7 33.8 -78.5 -50.2 -9.3 35.7 -0.3 27 24 A Q H < S+ 0 0 5 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.768 130.8 31.0 -81.6 -26.7 -6.9 34.5 2.4 28 25 A L >< + 0 0 3 -4,-2.9 3,-2.0 -5,-0.3 -1,-0.3 -0.634 66.7 166.8-131.0 66.4 -3.7 34.3 0.2 29 26 A P T 3 S+ 0 0 41 0, 0.0 373,-0.1 0, 0.0 -1,-0.1 0.665 74.6 56.8 -65.4 -16.4 -4.1 37.0 -2.5 30 27 A H T 3 S+ 0 0 29 371,-0.6 2,-0.2 198,-0.1 200,-0.1 0.522 87.4 99.6 -86.8 -4.2 -0.4 36.7 -3.6 31 28 A E < - 0 0 6 -3,-2.0 2,-0.4 -7,-0.2 -24,-0.1 -0.590 67.4-133.4 -95.8 138.5 -0.6 32.9 -4.3 32 29 A Q - 0 0 0 -26,-0.4 -24,-2.7 -2,-0.2 2,-0.4 -0.766 18.4-145.0 -87.0 140.5 -1.0 31.5 -7.8 33 30 A V E -a 8 0A 0 -2,-0.4 204,-2.4 -26,-0.2 2,-0.5 -0.887 14.5-172.2-108.9 129.6 -3.5 28.7 -8.4 34 31 A Y E -ac 9 237A 32 -26,-2.5 -24,-2.0 -2,-0.4 2,-0.4 -0.997 21.0-174.1-113.1 125.2 -3.2 25.8 -10.8 35 32 A Y E -ac 10 238A 0 202,-2.6 204,-2.7 -2,-0.5 2,-0.5 -0.951 15.5-172.2-125.0 135.5 -6.5 23.9 -10.9 36 33 A L E -ac 11 239A 0 -26,-2.9 -24,-1.8 -2,-0.4 2,-0.5 -0.973 0.8-174.7-129.9 119.7 -7.5 20.7 -12.5 37 34 A G E -ac 12 240A 0 202,-2.5 204,-1.8 -2,-0.5 2,-1.7 -0.961 19.4-146.9-107.6 128.3 -11.0 19.5 -12.7 38 35 A D >> + 0 0 2 -26,-2.7 3,-2.0 -2,-0.5 4,-0.6 -0.339 35.3 159.2 -88.8 54.8 -11.6 16.0 -14.2 39 36 A T G >4 + 0 0 31 -2,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.829 64.0 63.6 -50.8 -36.0 -14.9 16.9 -15.7 40 37 A A G 34 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.770 111.9 36.8 -60.7 -29.9 -14.9 14.1 -18.3 41 38 A R G <4 S+ 0 0 42 -3,-2.0 -1,-0.3 -28,-0.2 -2,-0.2 0.324 92.2 149.9-108.9 7.5 -14.9 11.5 -15.5 42 39 A C << + 0 0 25 -3,-1.2 2,-0.1 -4,-0.6 -28,-0.0 -0.640 41.8 66.0 -73.2 135.0 -17.2 13.3 -13.1 43 40 A P + 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -29,-0.0 0.279 47.6 164.9 -90.0 142.2 -19.0 11.9 -11.1 44 41 A Y > + 0 0 3 1,-0.1 3,-2.0 2,-0.1 8,-0.1 0.592 58.9 93.7 -80.2 -22.3 -16.4 10.3 -8.9 45 42 A G T 3 S+ 0 0 8 1,-0.3 76,-1.4 102,-0.1 -1,-0.1 0.826 89.3 35.2 -40.8 -48.1 -19.3 9.7 -6.4 46 43 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.300 97.2 108.8 -97.0 10.6 -20.3 6.2 -7.4 47 44 A R S < S- 0 0 71 -3,-2.0 2,-0.1 1,-0.1 -3,-0.1 -0.532 74.0-100.9 -85.1 158.4 -16.8 5.0 -8.3 48 45 A D > - 0 0 69 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.422 28.6-116.0 -73.9 148.0 -14.7 2.5 -6.4 49 46 A K H > S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.846 114.3 54.1 -48.6 -47.8 -11.9 3.7 -4.1 50 47 A E H > S+ 0 0 164 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 112.2 43.9 -57.0 -47.3 -9.2 2.0 -6.2 51 48 A E H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 112.1 52.2 -64.6 -46.0 -10.3 3.8 -9.3 52 49 A V H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.920 110.5 48.9 -55.6 -43.3 -10.7 7.1 -7.5 53 50 A A H X S+ 0 0 21 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.916 109.7 52.1 -64.9 -41.9 -7.2 6.8 -6.2 54 51 A K H X S+ 0 0 113 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.940 113.4 43.6 -58.9 -45.5 -5.9 6.0 -9.7 55 52 A F H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.875 111.0 54.6 -66.8 -41.2 -7.6 9.1 -11.2 56 53 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.905 107.6 50.0 -59.3 -43.3 -6.4 11.2 -8.3 57 54 A W H X S+ 0 0 48 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.887 107.1 54.8 -62.8 -38.6 -2.9 10.2 -8.9 58 55 A E H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.920 111.5 45.0 -58.1 -42.9 -3.3 11.0 -12.7 59 56 A X H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.921 112.8 51.0 -67.0 -43.9 -4.4 14.5 -11.7 60 57 A T H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.937 109.0 50.2 -58.4 -49.6 -1.6 14.8 -9.2 61 58 A N H X S+ 0 0 79 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.913 107.6 55.3 -57.4 -39.8 1.1 13.8 -11.7 62 59 A F H X S+ 0 0 32 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.939 114.8 38.1 -59.6 -48.6 -0.2 16.3 -14.2 63 60 A L H <>S+ 0 0 0 -4,-2.1 5,-1.3 2,-0.2 3,-0.5 0.878 112.2 55.8 -73.9 -35.3 0.2 19.2 -11.7 64 61 A V H ><5S+ 0 0 54 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 0.916 104.1 56.1 -61.2 -38.2 3.4 18.0 -10.1 65 62 A D H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 103.0 56.6 -62.1 -26.8 4.8 18.0 -13.7 66 63 A R T 3<5S- 0 0 114 -4,-0.8 -1,-0.3 -3,-0.5 -59,-0.3 0.306 121.9-106.7 -91.1 8.8 3.8 21.7 -13.8 67 64 A G T < 5 + 0 0 36 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.703 50.2 176.5 92.8 23.8 5.9 22.5 -10.7 68 65 A I < - 0 0 8 -5,-1.3 -60,-0.2 1,-0.1 -1,-0.2 -0.179 24.8-151.4 -69.6 153.9 3.4 23.1 -7.9 69 66 A K S S+ 0 0 11 -62,-3.2 2,-0.3 1,-0.3 -61,-0.2 0.563 79.1 11.5-100.8 -8.1 4.7 23.7 -4.4 70 67 A X E -b 8 0A 0 -63,-0.6 -61,-3.0 22,-0.2 2,-0.4 -0.953 69.3-138.6-164.8 149.9 1.7 22.3 -2.5 71 68 A L E -bd 9 94A 0 22,-2.5 24,-2.2 -2,-0.3 2,-0.5 -0.969 7.2-165.0-126.5 128.9 -1.3 20.1 -3.4 72 69 A V E -bd 10 95A 0 -63,-2.7 -61,-2.3 -2,-0.4 2,-1.3 -0.976 14.0-149.8-107.2 120.4 -4.9 20.4 -2.2 73 70 A I E -bd 11 96A 0 22,-3.3 2,-1.1 -2,-0.5 24,-0.5 -0.777 19.7-174.8 -86.3 92.1 -7.1 17.5 -2.9 74 71 A A + 0 0 0 -63,-1.7 2,-0.3 -2,-1.3 -55,-0.1 -0.268 54.3 82.8 -93.8 48.5 -10.1 19.6 -3.2 75 72 A C > - 0 0 4 -2,-1.1 4,-2.0 -63,-0.1 22,-0.3 -0.977 68.9-144.6-157.9 127.3 -12.5 16.7 -3.5 76 73 A N H > S+ 0 0 4 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.944 99.9 46.0 -71.7 -46.6 -13.9 14.5 -0.7 77 74 A T H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 114.4 49.8 -62.1 -42.6 -13.9 11.1 -2.4 78 75 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.5 0.887 109.7 51.8 -61.5 -39.9 -10.3 11.7 -3.6 79 76 A T H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 5,-0.4 0.975 112.3 44.9 -61.7 -49.1 -9.3 12.7 -0.1 80 77 A A H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 119.1 43.3 -62.8 -40.1 -10.7 9.5 1.4 81 78 A A H < S+ 0 0 18 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.802 133.4 3.3 -74.8 -34.3 -9.2 7.4 -1.3 82 79 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.1 5,-0.3 0.463 87.1 105.5-141.5 -1.8 -5.8 8.7 -1.7 83 80 A L H X S+ 0 0 16 -4,-2.1 4,-2.9 -5,-0.5 5,-0.3 0.910 89.9 44.5 -56.0 -52.4 -4.7 11.5 0.6 84 81 A Y H > S+ 0 0 156 -5,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.926 114.4 48.7 -63.2 -40.6 -2.4 9.4 2.8 85 82 A D H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 116.7 42.9 -60.9 -45.2 -0.8 7.6 -0.2 86 83 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 113.6 50.6 -73.9 -39.9 -0.1 10.9 -2.0 87 84 A R H < S+ 0 0 31 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.936 113.5 47.5 -57.9 -45.5 1.0 12.7 1.2 88 85 A E H < S+ 0 0 158 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.944 116.3 41.2 -63.6 -49.1 3.4 9.9 1.9 89 86 A K H < S+ 0 0 123 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.807 104.3 70.3 -75.0 -33.4 4.9 9.6 -1.7 90 87 A L < - 0 0 29 -4,-2.5 4,-0.1 -5,-0.2 0, 0.0 -0.476 67.7-145.1 -82.8 162.3 5.3 13.3 -2.6 91 88 A D S S+ 0 0 172 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.730 77.0 78.6 -95.1 -27.3 7.8 15.7 -1.0 92 89 A I S S- 0 0 40 1,-0.1 -22,-0.2 -24,-0.1 -2,-0.1 -0.437 97.9 -82.9 -74.9 162.1 5.5 18.7 -1.1 93 90 A P - 0 0 11 0, 0.0 -22,-2.5 0, 0.0 2,-0.4 -0.299 47.9-169.8 -65.0 143.3 2.8 19.4 1.4 94 91 A V E +d 71 0A 0 -24,-0.2 2,-0.3 -4,-0.1 -22,-0.2 -0.999 8.6 171.4-138.4 123.9 -0.5 17.7 0.6 95 92 A I E -d 72 0A 1 -24,-2.2 -22,-3.3 -2,-0.4 2,-0.2 -0.939 14.7-153.5-129.0 163.0 -3.9 18.2 2.3 96 93 A G E -d 73 0A 7 -2,-0.3 -22,-0.1 -24,-0.2 -20,-0.1 -0.572 26.5-115.3-117.9-170.5 -7.6 17.2 1.7 97 94 A V S > S+ 0 0 0 -24,-0.5 4,-1.7 -22,-0.3 5,-0.2 0.540 93.4 77.6-112.4 -4.4 -10.9 18.7 2.6 98 95 A I H > S+ 0 0 9 2,-0.2 4,-2.2 -23,-0.2 5,-0.2 0.958 94.9 46.7 -76.2 -48.1 -12.4 16.2 5.1 99 96 A Q H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.941 112.7 49.8 -61.7 -44.8 -10.4 17.2 8.2 100 97 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.928 111.4 48.1 -58.8 -41.0 -11.0 20.9 7.7 101 98 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.880 110.9 53.2 -70.3 -32.8 -14.7 20.5 7.3 102 99 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.950 110.1 46.5 -62.8 -45.7 -14.7 18.3 10.5 103 100 A R H X S+ 0 0 7 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.934 113.1 49.5 -64.2 -43.6 -12.9 20.9 12.5 104 101 A A H X S+ 0 0 17 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.907 110.0 51.3 -61.6 -41.2 -15.3 23.6 11.2 105 102 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.929 108.3 50.2 -63.0 -44.8 -18.3 21.6 12.0 106 103 A L H < S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 110.7 50.7 -64.9 -31.3 -17.2 20.9 15.6 107 104 A K H < S+ 0 0 79 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.819 113.9 44.9 -72.4 -28.7 -16.6 24.6 16.1 108 105 A A H < S+ 0 0 30 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.766 90.3 98.1 -88.1 -27.6 -20.1 25.6 14.8 109 106 A T < - 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0 0 14 66,-0.4 4,-3.1 -2,-0.3 5,-0.3 -0.202 51.5-100.6 -79.6 169.0 -21.7 11.5 -2.4 120 117 A L H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 123.9 46.6 -52.7 -44.3 -22.4 7.8 -2.3 121 118 A G H > S+ 0 0 24 -76,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.871 112.6 48.9 -73.1 -34.8 -18.7 7.0 -2.1 122 119 A T H >>S+ 0 0 3 2,-0.2 4,-0.8 1,-0.2 5,-0.7 0.930 113.0 47.8 -68.3 -48.4 -18.0 9.6 0.7 123 120 A V H ><5S+ 0 0 36 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.941 113.5 47.9 -57.9 -47.1 -20.9 8.3 2.7 124 121 A E H 3<5S+ 0 0 158 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 103.6 60.6 -66.4 -32.9 -19.8 4.7 2.3 125 122 A S H 3<5S- 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.749 92.4-145.9 -63.4 -22.9 -16.2 5.5 3.2 126 123 A X T < + 0 0 20 -5,-0.7 4,-2.3 1,-0.2 5,-0.2 0.857 63.9 49.4 -60.2 -39.7 -14.6 9.2 6.5 128 125 A Y H > S+ 0 0 2 -6,-0.4 4,-3.1 2,-0.2 5,-0.3 0.969 112.6 43.3 -67.7 -53.0 -16.6 12.0 8.1 129 126 A P H > S+ 0 0 10 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.912 115.4 51.9 -59.3 -36.4 -17.9 10.1 11.2 130 127 A T H X S+ 0 0 96 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.939 114.8 40.9 -62.2 -44.6 -14.4 8.6 11.6 131 128 A A H X S+ 0 0 15 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.918 117.6 47.8 -67.9 -48.0 -12.7 12.0 11.5 132 129 A L H >X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 3,-0.7 0.935 114.9 44.1 -59.7 -49.8 -15.4 13.7 13.6 133 130 A K H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.759 106.5 62.9 -70.1 -21.4 -15.4 11.0 16.3 134 131 A G H 3< S+ 0 0 25 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.829 111.7 36.4 -69.8 -28.9 -11.6 11.0 16.2 135 132 A L H << S+ 0 0 4 -4,-1.2 161,-0.6 -3,-0.7 2,-0.3 0.811 139.1 11.9 -89.1 -36.3 -11.7 14.7 17.4 136 133 A N >< - 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0 0 30 -4,-2.7 4,-0.1 -5,-0.1 0, 0.0 -0.363 67.5-141.4 -81.9 162.9 13.2 20.4 18.0 357 88 B D S S+ 0 0 169 2,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 0.148 80.7 75.2-106.3 15.7 11.7 17.3 16.3 358 89 B I S S- 0 0 40 -5,-0.1 -22,-0.2 1,-0.0 -2,-0.1 -0.845 97.1 -86.4-118.6 159.9 8.1 18.0 17.2 359 90 B P - 0 0 10 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.422 44.9-167.7 -66.1 139.5 5.8 20.7 15.7 360 91 B V E +l 337 0C 0 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.998 10.6 168.7-132.5 128.1 6.2 24.1 17.3 361 92 B I E -l 338 0C 1 -24,-2.4 -22,-2.9 -2,-0.4 2,-0.2 -0.923 17.1-153.5-133.5 163.1 3.8 27.0 16.8 362 93 B G E -l 339 0C 3 -2,-0.3 -22,-0.1 -24,-0.2 -20,-0.1 -0.536 30.3-110.0-122.4-175.0 3.2 30.4 18.4 363 94 B V S > S+ 0 0 0 -24,-0.6 4,-1.9 -22,-0.3 5,-0.2 0.558 98.0 73.9 -96.7 -14.1 0.1 32.5 18.5 364 95 B I H > S+ 0 0 10 2,-0.2 4,-2.2 -23,-0.2 5,-0.2 0.948 96.3 45.0 -70.3 -51.9 1.0 35.4 16.2 365 96 B Q H > S+ 0 0 31 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.957 114.1 50.7 -60.9 -41.1 0.6 33.7 12.8 366 97 B P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.943 111.5 47.0 -62.9 -39.9 -2.7 32.0 13.8 367 98 B G H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.888 111.9 51.5 -68.2 -35.7 -4.2 35.4 15.0 368 99 B S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.942 111.1 47.9 -64.7 -52.2 -2.9 37.0 11.8 369 100 B R H X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.909 110.6 51.9 -51.1 -44.7 -4.6 34.2 9.7 370 101 B A H X S+ 0 0 10 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.879 108.7 50.5 -63.8 -39.5 -7.8 34.6 11.6 371 102 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.894 107.7 51.9 -62.4 -43.0 -7.9 38.3 11.0 372 103 B L H < S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.793 111.0 49.4 -70.4 -25.7 -7.4 38.0 7.3 373 104 B K H < S+ 0 0 19 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.0 42.8 -73.9 -37.8 -10.3 35.5 7.3 374 105 B A H < S+ 0 0 30 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.752 93.3 94.1 -80.1 -33.9 -12.5 37.9 9.3 375 106 B T < + 0 0 0 -4,-2.5 5,-0.1 1,-0.1 72,-0.1 -0.365 40.8 179.5 -68.9 145.0 -11.8 41.2 7.6 376 107 B R S S+ 0 0 171 3,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.544 88.1 32.4-109.2 -24.7 -13.9 42.6 4.7 377 108 B N S S- 0 0 61 2,-0.2 3,-0.1 67,-0.1 -2,-0.1 0.341 102.1-121.0-111.4 4.7 -12.0 45.8 4.1 378 109 B N S S+ 0 0 49 1,-0.2 28,-2.8 -7,-0.1 2,-0.5 0.813 71.4 128.7 55.5 39.0 -8.5 44.7 4.9 379 110 B K E -n 406 0D 60 26,-0.2 67,-2.1 65,-0.2 68,-0.8 -0.972 37.0-179.5-123.3 111.2 -8.1 47.3 7.7 380 111 B I E -no 407 447D 0 26,-3.3 28,-2.6 -2,-0.5 2,-0.4 -0.873 19.2-153.0-122.4 137.9 -6.9 45.6 10.8 381 112 B G E -no 408 448D 0 66,-2.9 68,-3.2 -2,-0.4 2,-0.5 -0.884 7.4-156.7-102.3 149.5 -6.1 46.7 14.4 382 113 B V E -no 409 449D 2 26,-2.7 28,-2.9 -2,-0.4 2,-0.4 -0.990 4.0-165.2-128.1 122.4 -3.7 45.0 16.7 383 114 B L E +no 410 450D 0 66,-2.7 68,-2.3 -2,-0.5 2,-0.3 -0.897 31.6 125.4-101.2 134.0 -3.9 45.4 20.5 384 115 B G E -n 411 0D 0 26,-1.6 28,-2.3 -2,-0.4 68,-0.2 -0.954 58.0 -64.6-165.0-178.5 -1.0 44.3 22.6 385 116 B T > - 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