==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JAN-99 1B73 . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX PYROPHILUS; . AUTHOR K.Y.HWANG,C.S.CHO,S.S.KIM,Y.G.YU,Y.CHO . 252 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 16.7 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 . 25 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 4 2 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 2 1 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 1 0 1 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 1 A M 0 0 38 0, 0.0 26,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.4 35.6 51.7 40.4 2 2 A K E -a 27 0A 51 24,-0.2 62,-2.7 60,-0.1 63,-0.9 -0.998 360.0-152.1-124.2 128.3 35.9 49.7 37.2 3 3 A I E -ab 28 65A 0 24,-4.0 26,-1.3 -2,-0.4 2,-0.5 -0.803 2.8-158.5-103.7 133.8 33.2 47.1 36.4 4 4 A G E -ab 29 66A 0 61,-1.6 63,-3.6 -2,-0.4 2,-0.4 -0.991 10.3-174.2-110.2 118.9 34.1 44.1 34.3 5 5 A I E -ab 30 67A 0 24,-1.7 26,-1.0 -2,-0.5 2,-0.4 -0.922 5.5-171.2-107.9 145.8 31.1 42.4 32.6 6 6 A F E +ab 31 68A 1 61,-2.4 63,-1.3 -2,-0.4 64,-0.4 -1.000 12.9 154.6-141.7 142.1 31.6 39.3 30.7 7 7 A D E -a 32 0A 11 24,-2.3 26,-1.6 -2,-0.4 27,-0.1 -0.897 48.1-113.0-151.1 173.9 29.4 37.2 28.5 8 8 A S S S- 0 0 17 24,-0.3 29,-0.3 -2,-0.3 28,-0.3 0.795 96.1 -8.5 -83.7 -31.1 29.6 34.7 25.6 9 9 A G S S- 0 0 11 23,-0.2 -2,-0.2 22,-0.1 25,-0.1 -0.059 99.2 -61.9-136.1-132.8 28.1 37.0 23.1 10 10 A V S > S+ 0 0 32 1,-0.1 3,-1.6 2,-0.1 4,-0.2 0.316 100.4 95.2-109.5 -0.2 26.3 40.4 23.0 11 11 A G G > S+ 0 0 50 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.707 81.3 61.6 -62.9 -18.8 23.3 39.5 25.1 12 12 A G G 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.515 79.0 81.1 -83.4 -11.7 25.3 41.0 28.0 13 13 A L G <4 S+ 0 0 0 -3,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.576 87.4 62.7 -71.4 -6.1 25.5 44.5 26.4 14 14 A T T <> S+ 0 0 62 -3,-0.7 4,-1.5 2,-0.2 3,-0.5 0.907 104.1 41.6 -77.1 -60.0 22.0 44.8 27.9 15 15 A V H >> S+ 0 0 6 -4,-0.3 4,-2.7 1,-0.2 3,-1.1 0.968 112.5 58.5 -50.8 -56.0 23.0 44.5 31.6 16 16 A L H 3X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.719 104.8 48.8 -45.0 -35.4 26.0 46.8 30.6 17 17 A K H 3> S+ 0 0 90 -4,-0.5 4,-0.8 -3,-0.5 -1,-0.3 0.802 112.5 48.7 -75.4 -35.0 23.5 49.5 29.5 18 18 A A H XX S+ 0 0 20 -4,-1.5 4,-2.2 -3,-1.1 3,-0.8 0.969 113.6 45.7 -67.1 -55.8 21.5 49.1 32.7 19 19 A I H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 3,-2.5 0.931 113.0 50.7 -46.1 -76.9 24.6 49.3 34.9 20 20 A R H 3< S+ 0 0 46 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.505 111.0 47.4 -36.1 -31.6 26.0 52.3 33.0 21 21 A N H << S+ 0 0 140 -4,-0.8 3,-0.4 -3,-0.8 -1,-0.3 0.803 121.2 37.4 -84.1 -32.8 22.8 54.3 33.2 22 22 A R H << S+ 0 0 106 -3,-2.5 2,-1.2 -4,-2.2 -2,-0.2 0.917 122.9 41.9 -80.5 -49.7 22.5 53.6 36.9 23 23 A Y S >< S+ 0 0 6 -4,-2.5 3,-1.3 -5,-0.3 -1,-0.2 -0.552 77.7 177.2-101.3 74.1 26.1 53.9 37.7 24 24 A R T 3 S+ 0 0 152 -2,-1.2 -1,-0.2 -3,-0.4 -4,-0.1 0.592 72.1 35.1 -53.2 -18.2 26.8 56.9 35.5 25 25 A K T 3 S+ 0 0 71 -3,-0.1 193,-1.8 2,-0.1 -1,-0.2 0.547 84.3 112.7-120.5 1.2 30.5 57.3 36.4 26 26 A V < - 0 0 0 -3,-1.3 2,-0.4 192,-0.2 190,-0.2 -0.302 66.4-119.9 -72.4 150.6 31.9 53.9 36.8 27 27 A D E -a 2 0A 23 -26,-2.4 -24,-4.0 188,-0.5 2,-0.3 -0.804 32.0-158.2 -92.8 146.1 34.4 52.6 34.3 28 28 A I E -ac 3 220A 1 191,-1.8 193,-1.3 -2,-0.4 2,-0.3 -0.810 21.5-176.0-132.8 151.1 33.6 49.5 32.3 29 29 A V E -ac 4 221A 1 -26,-1.3 -24,-1.7 -2,-0.3 2,-0.2 -0.882 14.5-165.2-147.3 115.6 35.3 46.8 30.4 30 30 A Y E -ac 5 222A 0 191,-3.0 193,-0.8 -2,-0.3 2,-0.3 -0.640 4.6-169.8-103.4 147.2 33.2 44.2 28.6 31 31 A L E -ac 6 223A 2 -26,-1.0 -24,-2.3 -2,-0.2 2,-0.4 -0.894 2.3-168.9-140.6 115.2 34.5 40.9 27.2 32 32 A G E -ac 7 224A 0 191,-2.1 193,-1.1 -2,-0.3 2,-1.0 -0.847 20.6-139.9 -99.3 138.0 32.3 38.7 25.0 33 33 A D >> + 0 0 1 -26,-1.6 3,-1.1 -2,-0.4 4,-0.7 -0.541 43.1 152.1 -95.0 67.0 33.5 35.2 24.2 34 34 A T T 34 + 0 0 13 -2,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.819 63.4 64.6 -64.5 -29.3 32.4 35.3 20.5 35 35 A A T 34 S+ 0 0 55 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.580 119.1 24.7 -69.7 -15.7 35.1 32.8 19.4 36 36 A R T <4 S+ 0 0 62 -3,-1.1 -1,-0.2 -28,-0.3 -2,-0.2 0.323 84.8 145.1-129.7 3.0 33.4 30.1 21.5 37 37 A V < + 0 0 68 -4,-0.7 2,-2.9 -3,-0.3 3,-0.3 0.399 48.3 80.1 -21.0 -41.5 29.9 31.5 21.6 38 38 A P + 0 0 85 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.393 59.1 146.5 -78.3 72.1 27.7 28.4 21.5 39 39 A Y > + 0 0 4 -2,-2.9 3,-2.4 1,-0.2 2,-1.7 0.921 45.8 76.1 -66.8 -55.7 28.3 28.0 25.3 40 40 A G T 3 S+ 0 0 17 -3,-0.3 76,-0.8 1,-0.3 -1,-0.2 0.166 97.0 48.9 -50.4 17.4 25.0 26.6 26.5 41 41 A I T 3 S+ 0 0 121 -2,-1.7 -1,-0.3 -3,-0.5 -2,-0.1 0.486 89.3 97.8-127.6 -24.2 25.9 23.1 25.2 42 42 A R S < S- 0 0 110 -3,-2.4 -3,-0.0 -4,-0.3 3,-0.0 -0.132 81.5 -87.1 -67.1 162.1 29.3 22.7 26.6 43 43 A S > - 0 0 74 1,-0.1 4,-2.6 4,-0.0 3,-0.4 -0.169 32.2-108.9 -65.5 166.1 30.1 20.7 29.7 44 44 A K H >> S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.993 123.0 48.2 -58.6 -57.9 30.1 22.1 33.3 45 45 A D H 3> S+ 0 0 122 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.666 111.6 50.9 -57.6 -20.1 33.9 21.8 33.3 46 46 A T H 3> S+ 0 0 19 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.870 109.7 49.0 -82.7 -43.2 34.1 23.6 30.0 47 47 A I H <>S+ 0 0 0 -4,-1.7 5,-1.3 2,-0.2 3,-1.2 0.853 112.2 57.1 -67.5 -36.6 39.2 41.2 33.0 59 59 A K H ><5S+ 0 0 81 -4,-2.7 3,-3.3 1,-0.3 4,-0.3 0.990 107.8 48.0 -59.1 -51.5 41.0 40.7 36.3 60 60 A D T 3<5S+ 0 0 124 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.587 101.0 66.3 -65.6 0.5 44.2 41.4 34.6 61 61 A K T < 5S- 0 0 42 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.430 120.5-110.4 -99.4 3.1 42.4 44.4 33.1 62 62 A G T < 5 + 0 0 46 -3,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.796 59.2 161.1 78.5 31.9 42.3 45.8 36.6 63 63 A V < - 0 0 7 -5,-1.3 -1,-0.2 -4,-0.3 -60,-0.2 -0.500 36.6-145.9 -85.9 163.8 38.6 45.6 37.4 64 64 A D S S+ 0 0 72 -62,-2.7 2,-0.3 1,-0.2 -61,-0.2 0.782 81.4 11.8 -95.5 -31.5 37.1 45.7 40.9 65 65 A I E -b 3 0A 4 -63,-0.9 -61,-1.6 22,-0.2 2,-0.5 -0.921 69.3-138.0-142.2 160.3 34.1 43.4 40.5 66 66 A I E -bd 4 89A 0 22,-2.2 24,-2.3 -2,-0.3 2,-0.5 -0.987 11.3-161.7-132.0 114.3 33.2 40.9 37.7 67 67 A V E -bd 5 90A 0 -63,-3.6 -61,-2.4 -2,-0.5 2,-0.7 -0.883 3.4-161.4 -95.0 121.8 29.7 40.7 36.5 68 68 A V E -bd 6 91A 0 22,-2.0 24,-0.7 -2,-0.5 -61,-0.2 -0.905 8.0-176.6-109.9 102.4 28.9 37.5 34.6 69 69 A A + 0 0 13 -63,-1.3 2,-0.4 -2,-0.7 -62,-0.2 0.375 51.5 99.8 -74.7 4.6 25.7 38.0 32.5 70 70 A C > - 0 0 14 -64,-0.4 4,-2.1 1,-0.1 22,-0.3 -0.773 62.2-150.6 -97.9 132.1 25.5 34.5 31.1 71 71 A N H > S+ 0 0 14 -2,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.787 95.9 55.4 -66.3 -36.5 23.0 32.1 32.9 72 72 A T H 4 S+ 0 0 5 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.808 113.5 38.4 -66.3 -37.5 25.1 29.1 31.9 73 73 A A H >> S+ 0 0 0 2,-0.2 4,-3.4 3,-0.2 3,-0.6 0.828 115.1 53.8 -85.2 -36.8 28.4 30.4 33.5 74 74 A S H 3< S+ 0 0 9 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.811 109.3 50.7 -64.3 -28.6 26.5 31.9 36.4 75 75 A A T 3< S+ 0 0 11 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.605 128.2 17.5 -84.4 -15.6 25.0 28.4 37.0 76 76 A Y T <4 S+ 0 0 51 -3,-0.6 4,-0.3 -4,-0.4 -2,-0.2 0.646 124.5 44.1-128.1 -30.9 28.2 26.5 36.9 77 77 A A S X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.1 -3,-0.2 0.445 76.6 93.5-104.7 0.2 31.2 28.8 37.4 78 78 A L H > S+ 0 0 34 -5,-0.5 4,-1.9 -4,-0.4 5,-0.2 0.846 87.8 51.6 -61.2 -33.2 30.5 31.3 40.3 79 79 A E H > S+ 0 0 136 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.992 115.1 42.4 -66.5 -50.4 32.1 29.2 43.0 80 80 A R H > S+ 0 0 82 -4,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.764 112.3 52.8 -59.4 -43.6 35.3 28.8 41.0 81 81 A L H >X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 3,-1.6 0.986 112.5 45.1 -61.3 -56.0 35.5 32.4 39.8 82 82 A K H 3< S+ 0 0 102 -4,-1.9 5,-0.3 1,-0.3 -2,-0.2 0.918 112.5 52.1 -51.5 -49.8 35.2 33.7 43.4 83 83 A K H 3< S+ 0 0 153 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.617 120.8 32.0 -65.5 -18.8 37.7 31.2 44.6 84 84 A E H << S+ 0 0 83 -3,-1.6 2,-0.5 -4,-0.7 -2,-0.2 0.654 110.9 60.3-114.3 -17.2 40.3 32.2 42.0 85 85 A I S < S- 0 0 9 -4,-2.8 2,-2.3 2,-0.2 -1,-0.2 -0.936 78.5-138.7-111.6 121.5 39.7 35.9 41.3 86 86 A N S S+ 0 0 163 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.1 -0.322 74.0 80.5 -78.9 53.8 40.3 37.9 44.5 87 87 A V S S- 0 0 36 -2,-2.3 2,-0.3 -5,-0.3 -2,-0.2 -0.985 91.5 -75.8-150.8 167.3 37.3 40.1 43.8 88 88 A P - 0 0 61 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.461 44.5-161.5 -68.1 133.8 33.6 40.2 44.1 89 89 A V E -d 66 0A 12 -2,-0.3 2,-0.5 -24,-0.2 -22,-0.2 -0.931 5.8-170.2-120.3 128.5 31.7 38.1 41.4 90 90 A F E -d 67 0A 33 -24,-2.3 -22,-2.0 -2,-0.4 2,-0.1 -0.892 0.9-170.9-126.5 122.6 28.0 38.5 40.5 91 91 A G E -d 68 0A 8 -2,-0.5 -22,-0.2 -24,-0.2 -20,-0.1 -0.306 30.6-117.7 -98.1 179.6 25.9 36.4 38.3 92 92 A V S > S+ 0 0 5 -24,-0.7 4,-0.5 -22,-0.3 -21,-0.1 0.428 95.7 71.2-100.6 2.0 22.4 36.8 36.9 93 93 A I H > S+ 0 0 7 -23,-0.2 4,-2.8 2,-0.1 3,-0.2 0.931 93.1 49.4 -83.1 -54.0 20.6 33.9 38.5 94 94 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.847 112.4 48.1 -57.4 -35.1 20.3 34.9 42.1 95 95 A P H > S+ 0 0 14 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.827 110.7 53.2 -75.2 -25.9 19.0 38.5 41.3 96 96 A G H X S+ 0 0 0 -4,-0.5 4,-3.1 -3,-0.2 -2,-0.2 0.958 111.3 45.9 -68.4 -48.2 16.5 36.9 39.0 97 97 A V H X S+ 0 0 0 -4,-2.8 4,-3.7 2,-0.2 5,-0.2 0.891 108.9 52.2 -59.8 -48.8 15.3 34.6 41.7 98 98 A K H X S+ 0 0 118 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.959 115.5 44.9 -52.1 -50.3 15.0 37.2 44.5 99 99 A E H X S+ 0 0 38 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.925 112.6 49.2 -61.7 -50.2 12.9 39.2 42.1 100 100 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.987 111.2 49.7 -54.8 -57.5 10.9 36.3 41.0 101 101 A L H < S+ 0 0 27 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.825 116.8 44.0 -50.7 -34.0 10.2 35.3 44.6 102 102 A K H < S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.953 113.3 46.7 -74.0 -57.7 9.2 38.9 45.3 103 103 A K H < S+ 0 0 93 -4,-3.4 -2,-0.2 -5,-0.1 -3,-0.2 0.840 96.2 93.4 -52.7 -44.3 7.0 39.6 42.3 104 104 A S < - 0 0 0 -4,-2.8 5,-0.1 -5,-0.3 69,-0.1 -0.056 48.2-176.2 -52.2 161.5 5.2 36.3 42.7 105 105 A R S S+ 0 0 203 3,-0.1 -1,-0.1 68,-0.0 -2,-0.0 0.604 88.2 29.5-123.7 -49.0 1.9 36.0 44.6 106 106 A N S S- 0 0 82 2,-0.1 27,-0.2 27,-0.0 3,-0.1 0.412 98.6-129.9 -96.8 -0.0 1.2 32.3 44.5 107 107 A K + 0 0 61 1,-0.2 26,-2.5 -7,-0.1 2,-0.7 0.751 68.9 126.4 54.3 29.7 4.8 31.3 44.3 108 108 A K E +f 133 0B 66 24,-0.2 64,-1.4 62,-0.1 65,-0.6 -0.912 39.2 160.1-113.3 90.9 4.3 29.0 41.4 109 109 A I E -fg 134 173B 0 24,-0.8 26,-1.8 -2,-0.7 2,-0.3 -0.806 25.3-143.3-120.0 157.6 6.9 30.4 39.1 110 110 A G E -fg 135 174B 0 63,-2.1 65,-2.9 -2,-0.3 2,-0.4 -0.864 5.6-154.6-125.5 161.7 8.8 29.2 36.0 111 111 A V E -fg 136 175B 2 24,-2.2 26,-1.4 -2,-0.3 2,-0.5 -0.994 3.6-172.6-134.5 128.4 12.1 29.3 34.2 112 112 A I E +fg 137 176B 2 63,-1.8 65,-1.8 -2,-0.4 66,-0.9 -0.989 34.3 142.9-115.8 119.5 12.8 28.9 30.5 113 113 A G E -f 138 0B 0 24,-1.5 26,-1.7 -2,-0.5 5,-0.1 -0.943 53.6 -60.5-150.4 174.6 16.6 28.7 30.1 114 114 A T >> - 0 0 20 -2,-0.3 4,-1.9 24,-0.2 3,-0.8 -0.143 51.2-110.4 -61.3 151.3 19.2 26.9 28.1 115 115 A P H 3> S+ 0 0 33 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.830 117.8 52.7 -49.5 -34.2 19.4 23.2 28.3 116 116 A A H 3> S+ 0 0 10 -76,-0.8 4,-1.0 1,-0.2 -75,-0.1 0.776 113.7 39.1 -77.2 -28.6 22.7 23.5 30.2 117 117 A T H <> S+ 0 0 0 -3,-0.8 4,-0.8 2,-0.2 6,-0.5 0.594 113.8 55.2 -88.3 -27.3 21.5 25.9 32.9 118 118 A V H < S+ 0 0 27 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.606 109.6 48.7 -78.2 -17.9 18.2 24.1 33.2 119 119 A K H < S+ 0 0 160 -4,-0.5 -2,-0.2 -5,-0.3 -3,-0.1 0.818 98.6 67.3 -87.6 -38.3 20.2 21.0 33.8 120 120 A S H < S- 0 0 21 -4,-1.0 -2,-0.2 1,-0.1 -1,-0.1 0.851 91.1-146.3 -48.5 -42.8 22.4 22.7 36.4 121 121 A G X + 0 0 13 -4,-0.8 4,-2.9 4,-0.0 5,-0.2 0.401 59.9 126.1 86.4 1.6 19.4 23.0 38.7 122 122 A A H > S+ 0 0 2 -5,-0.3 4,-1.6 1,-0.2 -4,-0.1 0.813 75.8 43.0 -60.2 -34.9 20.6 26.3 40.1 123 123 A Y H > S+ 0 0 1 -6,-0.5 4,-1.4 2,-0.2 5,-0.2 0.942 114.0 49.1 -76.7 -50.8 17.3 28.1 39.3 124 124 A Q H >> S+ 0 0 34 2,-0.2 4,-2.3 3,-0.2 3,-0.7 0.957 115.6 45.2 -51.3 -58.3 15.1 25.3 40.5 125 125 A R H >X S+ 0 0 126 -4,-2.9 4,-2.3 1,-0.2 3,-1.0 0.966 110.9 49.4 -48.8 -73.8 17.0 25.0 43.8 126 126 A K H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.652 115.2 47.7 -42.2 -24.2 17.3 28.7 44.6 127 127 A L H X< S+ 0 0 0 -4,-1.4 3,-0.9 -3,-0.7 -1,-0.3 0.828 110.8 48.5 -86.9 -42.9 13.5 29.1 43.9 128 128 A E H X< S+ 0 0 120 -4,-2.3 3,-3.3 -3,-1.0 4,-0.5 0.962 108.0 53.6 -61.6 -52.5 12.4 26.1 46.0 129 129 A E T 3< S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.391 105.8 56.4 -65.8 4.3 14.5 27.1 49.1 130 130 A G T < S- 0 0 43 -3,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.260 129.9 -98.3-112.1 2.9 12.8 30.4 48.8 131 131 A G S < S+ 0 0 50 -3,-3.3 2,-0.3 1,-0.2 -3,-0.2 0.986 77.2 127.9 78.0 72.2 9.4 28.6 49.1 132 132 A A - 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0 0 31 -5,-0.5 2,-0.4 2,-0.1 -1,-0.2 -0.064 58.8 -21.3 81.1 164.0 -1.4 35.6 29.0 194 194 A D S S+ 0 0 142 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.1 -0.271 80.6 164.9 -45.1 96.6 -0.1 38.7 30.7 195 195 A A - 0 0 13 -2,-0.4 2,-0.9 -6,-0.0 -22,-0.2 -0.714 46.4 -99.3-113.7 166.5 2.4 37.2 33.2 196 196 A E E -h 173 0B 94 -24,-1.2 -22,-2.5 -2,-0.3 2,-0.5 -0.808 38.3-160.7 -92.5 104.2 5.1 39.0 35.1 197 197 A V E -h 174 0B 28 -2,-0.9 -22,-0.2 -24,-0.2 2,-0.2 -0.742 18.6-125.0 -85.9 126.5 8.3 38.4 33.2 198 198 A V E -h 175 0B 8 -24,-3.5 2,-1.0 -2,-0.5 -22,-0.6 -0.523 10.8-137.8 -72.7 136.8 11.4 39.0 35.4 199 199 A D > - 0 0 101 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.865 21.0-173.6 -95.7 94.4 13.8 41.5 33.9 200 200 A S H > S+ 0 0 17 -2,-1.0 4,-1.1 1,-0.2 -1,-0.1 0.635 81.8 51.4 -62.1 -23.3 17.0 39.6 34.7 201 201 A S H > S+ 0 0 16 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.847 112.6 41.9 -84.6 -43.6 19.1 42.6 33.5 202 202 A E H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.901 117.0 51.1 -70.2 -34.9 17.3 45.3 35.5 203 203 A A H X S+ 0 0 12 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.895 112.7 45.0 -63.1 -50.0 17.3 42.9 38.5 204 204 A L H < S+ 0 0 0 -4,-1.1 4,-0.4 2,-0.2 3,-0.3 0.975 111.5 50.1 -57.8 -62.4 21.0 42.2 38.2 205 205 A S H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.856 112.1 48.8 -41.5 -54.8 22.2 45.8 37.7 206 206 A L H >< S+ 0 0 69 -4,-1.9 3,-2.1 1,-0.3 -1,-0.3 0.896 100.9 66.3 -53.5 -46.3 20.2 46.9 40.7 207 207 A S T 3< S+ 0 0 47 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.475 93.4 60.4 -55.8 -13.3 21.7 44.0 42.8 208 208 A L T X> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.4 3,-1.1 0.378 71.2 107.8 -97.7 -1.3 25.2 45.5 42.6 209 209 A H T <4 S+ 0 0 106 -3,-2.1 -1,-0.1 1,-0.2 5,-0.1 0.872 77.8 45.2 -48.2 -43.6 24.3 48.8 44.3 210 210 A N T 34 S+ 0 0 141 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.690 115.9 45.7 -78.3 -15.6 26.0 48.1 47.7 211 211 A F T <4 S+ 0 0 116 -3,-1.1 2,-0.4 -4,-0.1 -1,-0.2 0.768 99.1 81.2 -96.3 -24.6 29.2 46.8 46.2 212 212 A I < - 0 0 16 -4,-2.0 2,-0.8 -3,-0.0 -209,-0.0 -0.621 62.4-155.1 -88.5 126.5 29.7 49.5 43.6 213 213 A K - 0 0 133 -2,-0.4 2,-2.5 2,-0.1 -3,-0.1 -0.900 25.3-131.1 -97.5 108.2 31.1 52.9 44.3 214 214 A D + 0 0 79 -2,-0.8 2,-0.3 -5,-0.1 -190,-0.1 -0.365 68.3 113.2 -59.7 84.4 29.7 55.2 41.6 215 215 A D + 0 0 80 -2,-2.5 -188,-0.5 -192,-0.1 2,-0.2 -0.998 30.1 86.7-155.8 146.8 33.1 56.7 40.8 216 216 A G S S- 0 0 21 -2,-0.3 -214,-0.1 -190,-0.2 -190,-0.0 -0.746 81.8 -65.0 144.2 172.6 35.5 56.6 37.9 217 217 A S - 0 0 105 -2,-0.2 -191,-0.2 1,-0.1 -1,-0.1 0.380 65.5-119.5 -71.7 0.7 36.4 58.3 34.6 218 218 A S + 0 0 43 -193,-1.8 -192,-0.2 1,-0.2 -191,-0.1 0.521 60.8 156.7 66.0 15.6 33.1 57.2 33.0 219 219 A S - 0 0 48 -194,-0.2 -191,-1.8 1,-0.0 2,-0.3 -0.018 30.2-157.1 -66.8 167.6 35.0 55.1 30.4 220 220 A L E -c 28 0A 37 -193,-0.2 2,-0.4 2,-0.0 -191,-0.2 -0.957 8.8-178.2-151.8 123.3 33.9 52.1 28.3 221 221 A E E -c 29 0A 76 -193,-1.3 -191,-3.0 -2,-0.3 2,-0.5 -0.992 9.7-159.0-127.6 129.9 36.0 49.4 26.7 222 222 A L E +ce 30 245A 0 22,-0.6 24,-1.3 -2,-0.4 2,-0.3 -0.892 13.8 176.1-112.9 125.6 34.5 46.6 24.6 223 223 A F E +ce 31 246A 7 -193,-0.8 -191,-2.1 -2,-0.5 2,-0.3 -0.898 5.4 174.0-127.2 151.0 36.5 43.3 24.0 224 224 A F E -ce 32 247A 0 22,-0.8 24,-2.8 -2,-0.3 -191,-0.2 -0.935 33.6-132.7-155.3 146.1 35.5 40.0 22.1 225 225 A T S S+ 0 0 40 -193,-1.1 2,-0.2 -2,-0.3 -192,-0.1 0.129 96.6 35.3 -88.4 12.5 37.7 37.0 21.3 226 226 A D S S- 0 0 72 -194,-0.2 2,-2.9 2,-0.0 -1,-0.2 -0.724 72.2-139.8-167.9 114.5 36.4 36.9 17.7 227 227 A L - 0 0 71 -2,-0.2 20,-0.1 -3,-0.1 4,-0.0 -0.310 44.9-171.1 -73.6 55.3 35.6 39.8 15.5 228 228 A S > - 0 0 25 -2,-2.9 3,-0.6 2,-0.1 4,-0.4 0.209 30.7 -82.6 -43.8 166.7 32.6 37.8 14.3 229 229 A P T 3 S+ 0 0 100 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.895 113.7 9.1 -38.8-101.1 30.4 38.9 11.3 230 230 A N T 3> S+ 0 0 103 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.093 91.6 116.0 -78.5 18.9 27.7 41.4 12.3 231 231 A L H X> S+ 0 0 7 -3,-0.6 4,-2.2 1,-0.2 3,-1.0 0.981 78.0 48.5 -45.2 -67.5 29.1 41.9 15.9 232 232 A Q H 3> S+ 0 0 91 -3,-0.4 4,-1.3 -4,-0.4 -1,-0.2 0.705 111.7 49.5 -44.7 -38.2 29.9 45.5 15.1 233 233 A F H 3> S+ 0 0 102 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.872 110.0 50.1 -71.4 -43.9 26.4 46.1 13.7 234 234 A L H -e 224 0A 71 -2,-0.3 3,-0.9 -24,-0.2 2,-0.5 -0.877 39.8-103.1 -96.8 137.7 40.2 41.9 19.9 248 248 A A T 3 S+ 0 0 11 -24,-2.8 -25,-0.0 -2,-0.5 -217,-0.0 -0.376 112.7 15.4 -62.1 109.4 40.9 39.9 23.1 249 249 A E T 3 S+ 0 0 132 -2,-0.5 -1,-0.3 -192,-0.1 -24,-0.0 0.802 98.5 125.0 88.7 46.2 44.7 39.7 23.2 250 250 A G S < S- 0 0 40 -3,-0.9 -2,-0.1 2,-0.1 -4,-0.0 0.580 92.7 -20.2 -95.1-113.4 45.2 42.4 20.7 251 251 A V 0 0 156 1,-0.3 -3,-0.1 -4,-0.1 -5,-0.0 0.913 360.0 360.0 -62.3 -33.3 47.4 45.4 21.6 252 252 A F 0 0 149 -5,-0.3 -1,-0.3 -191,-0.0 -2,-0.1 -0.880 360.0 360.0 98.8 360.0 46.4 44.0 25.0