==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-MAY-11 2YIM . COMPND 2 MOLECULE: PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SHARMA,P.BHAUMIK,R.VENKATESAN,J.K.HILTUNEN,E.CONZELMANN,A. . 1420 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 4.9 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 . 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 . 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 . 107 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 204 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.4 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 10 3 7 11 0 0 12 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 0 4 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 3 1 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 A 0 0 78 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -18.4 102.3 21.6 7.2 2 3 A G > - 0 0 4 25,-0.2 3,-1.5 1,-0.1 332,-0.2 -0.056 360.0 -79.8 -74.2-174.4 104.1 25.0 6.8 3 4 A P T 3 S+ 0 0 2 0, 0.0 26,-0.2 0, 0.0 331,-0.1 0.653 125.1 59.4 -66.2 -18.0 102.4 28.3 5.7 4 5 A L T > S+ 0 0 0 24,-2.9 3,-2.2 21,-0.1 27,-0.3 0.249 70.0 141.3 -98.2 12.3 102.5 27.3 1.9 5 6 A S T < + 0 0 77 -3,-1.5 25,-0.2 23,-0.4 3,-0.1 -0.314 69.8 25.6 -52.8 129.8 100.4 24.2 2.3 6 7 A G T 3 S+ 0 0 55 23,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.136 86.8 127.9 99.0 -19.3 98.1 23.9 -0.7 7 8 A L < - 0 0 0 -3,-2.2 24,-3.7 18,-0.1 2,-0.5 -0.578 50.0-146.0 -73.2 128.8 100.3 25.9 -3.1 8 9 A R E -a 31 0A 69 -2,-0.3 66,-2.4 22,-0.2 67,-2.0 -0.867 18.9-177.1-104.7 123.8 100.9 24.1 -6.4 9 10 A V E -ab 32 75A 0 22,-2.9 24,-3.2 -2,-0.5 2,-0.5 -0.967 16.3-160.7-125.9 130.2 104.3 24.6 -8.1 10 11 A V E -ab 33 76A 0 65,-2.9 67,-2.8 -2,-0.4 2,-0.5 -0.960 14.3-165.6-106.9 124.8 105.6 23.2 -11.4 11 12 A E E -ab 34 77A 2 22,-2.8 24,-3.0 -2,-0.5 2,-0.7 -0.950 13.1-149.1-114.2 119.1 109.4 23.3 -11.6 12 13 A L E -a 35 0A 4 65,-2.9 67,-0.4 -2,-0.5 24,-0.2 -0.812 41.2-105.2 -86.2 116.1 111.2 22.9 -15.0 13 14 A A + 0 0 7 22,-2.5 2,-0.2 -2,-0.7 -1,-0.1 -0.126 62.3 136.5 -53.1 124.3 114.5 21.2 -14.0 14 15 A G - 0 0 22 2,-0.1 2,-0.3 64,-0.1 66,-0.1 -0.543 47.2 -87.9-139.4-152.7 117.5 23.5 -14.2 15 16 A I S > S- 0 0 118 64,-0.3 3,-0.6 -2,-0.2 5,-0.0 -0.962 75.9 -8.2-132.3 149.2 120.6 24.3 -12.1 16 17 A G T 3> S+ 0 0 14 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 -0.567 123.2 21.7 79.0-114.4 121.4 26.7 -9.2 17 18 A P H 3> S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.885 118.3 57.3 -64.1 -43.7 118.8 29.3 -8.3 18 19 A G H <> S+ 0 0 7 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.927 110.1 42.6 -52.1 -54.8 115.7 27.5 -9.8 19 20 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.803 113.7 53.5 -63.9 -30.0 116.0 24.3 -7.8 20 21 A H H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.902 109.8 46.8 -71.9 -42.0 116.9 26.3 -4.6 21 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.935 112.8 49.6 -61.5 -48.1 113.7 28.4 -4.9 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.890 109.0 54.3 -58.9 -40.8 111.6 25.3 -5.5 23 24 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.930 107.6 48.0 -56.4 -51.1 113.2 23.7 -2.5 24 25 A I H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 110.3 51.9 -63.4 -40.1 112.3 26.5 -0.2 25 26 A L H <>S+ 0 0 1 -4,-2.2 5,-2.4 1,-0.2 -1,-0.2 0.946 113.4 45.2 -57.9 -48.0 108.7 26.5 -1.4 26 27 A G H ><5S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.886 108.2 57.5 -60.5 -42.5 108.6 22.8 -0.7 27 28 A D H 3<5S+ 0 0 5 -4,-3.0 309,-0.4 1,-0.3 -1,-0.2 0.884 106.3 49.8 -52.8 -43.0 110.2 23.3 2.7 28 29 A L T 3<5S- 0 0 0 -4,-1.9 -24,-2.9 -5,-0.2 -23,-0.4 0.300 133.1 -86.2 -88.1 7.8 107.4 25.6 3.7 29 30 A G T < 5S+ 0 0 19 -3,-1.6 -23,-0.6 1,-0.3 -3,-0.2 0.311 76.2 145.1 113.5 -6.6 104.7 23.2 2.6 30 31 A A < - 0 0 2 -5,-2.4 2,-0.9 -25,-0.2 -1,-0.3 -0.189 54.2-118.2 -64.1 154.7 104.1 23.8 -1.1 31 32 A D E -a 8 0A 43 -24,-3.7 -22,-2.9 -27,-0.3 2,-0.5 -0.835 40.4-172.0 -95.4 97.4 103.2 20.9 -3.5 32 33 A V E -a 9 0A 2 -2,-0.9 19,-1.9 17,-0.4 2,-0.5 -0.836 13.6-171.8-105.2 123.1 106.2 21.0 -5.9 33 34 A V E -ac 10 51A 0 -24,-3.2 -22,-2.8 -2,-0.5 2,-0.5 -0.960 10.1-157.8-115.1 117.3 106.3 18.9 -9.0 34 35 A R E -ac 11 52A 22 17,-2.8 19,-2.8 -2,-0.5 2,-0.6 -0.834 2.0-154.9 -99.0 125.4 109.6 18.9 -10.9 35 36 A I E +ac 12 53A 1 -24,-3.0 -22,-2.5 -2,-0.5 2,-0.2 -0.898 19.6 176.9-100.0 115.9 109.7 18.0 -14.6 36 37 A D E - c 0 54A 52 17,-2.6 19,-2.1 -2,-0.6 3,-0.0 -0.705 35.5 -94.7-109.8 165.6 113.1 16.6 -15.7 37 38 A R - 0 0 173 -2,-0.2 19,-0.2 17,-0.2 2,-0.1 -0.521 48.2 -99.1 -76.4 147.1 114.2 15.3 -19.1 38 39 A P 0 0 70 0, 0.0 -1,-0.1 0, 0.0 16,-0.0 -0.461 360.0 360.0 -68.4 138.8 114.0 11.5 -19.7 39 40 A S 0 0 164 -2,-0.1 -3,-0.0 -3,-0.0 15,-0.0 -0.966 360.0 360.0-166.2 360.0 117.2 9.6 -19.3 40 ! 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 41 45 A I 0 0 149 0, 0.0 302,-0.1 0, 0.0 301,-0.1 0.000 360.0 360.0 360.0 -43.4 116.7 7.8 -6.3 42 46 A S - 0 0 50 300,-0.4 301,-0.0 1,-0.1 0, 0.0 -0.315 360.0-157.6 -67.8 139.8 118.5 11.1 -6.3 43 47 A R + 0 0 173 -2,-0.0 2,-0.9 515,-0.0 -1,-0.1 0.451 64.8 106.5 -88.1 -6.4 121.6 11.7 -4.1 44 48 A D > - 0 0 63 1,-0.2 3,-2.2 3,-0.1 -2,-0.1 -0.678 55.9-161.9 -86.9 104.3 121.0 15.5 -4.2 45 49 A A G > S+ 0 0 16 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.715 86.1 71.7 -57.7 -22.4 119.6 16.8 -0.9 46 50 A M G 3 S+ 0 0 8 1,-0.3 -1,-0.3 505,-0.1 505,-0.1 0.786 86.2 66.5 -64.7 -25.3 118.5 20.0 -2.7 47 51 A L G < S+ 0 0 16 -3,-2.2 3,-0.4 3,-0.0 -1,-0.3 0.129 76.0 129.5 -86.6 24.0 115.8 17.9 -4.4 48 52 A R < + 0 0 1 -3,-1.3 -22,-0.1 1,-0.2 -21,-0.1 -0.310 60.2 30.4 -65.2 158.0 114.1 17.3 -1.1 49 53 A N S S+ 0 0 5 290,-2.2 -17,-0.4 1,-0.2 2,-0.3 0.856 98.8 110.3 59.0 44.7 110.3 18.1 -0.8 50 54 A R - 0 0 21 -3,-0.4 2,-0.4 289,-0.2 292,-0.3 -0.931 62.8-135.7-137.0 161.2 109.4 17.3 -4.4 51 55 A R E -c 33 0A 63 -19,-1.9 -17,-2.8 -2,-0.3 2,-0.5 -0.990 31.5-146.1-114.2 131.7 107.7 14.8 -6.6 52 56 A I E +c 34 0A 25 -2,-0.4 293,-2.7 291,-0.4 2,-0.3 -0.873 23.0 170.0-103.5 126.1 109.8 14.0 -9.7 53 57 A V E -c 35 0A 0 -19,-2.8 -17,-2.6 -2,-0.5 2,-0.4 -0.911 20.9-139.2-125.9 159.4 108.3 13.3 -13.1 54 58 A T E +c 36 0A 64 291,-0.4 2,-0.3 -2,-0.3 293,-0.2 -0.943 24.8 161.4-120.2 143.9 109.9 13.0 -16.5 55 59 A A - 0 0 11 -19,-2.1 2,-1.1 -2,-0.4 3,-0.0 -0.946 40.6-127.4-157.4 137.8 108.8 14.3 -19.9 56 60 A D > - 0 0 82 -2,-0.3 3,-1.7 -19,-0.2 6,-0.5 -0.782 26.0-168.1 -82.0 99.7 110.3 14.9 -23.3 57 61 A L T 3 S+ 0 0 21 -2,-1.1 -1,-0.2 1,-0.3 6,-0.0 0.603 81.3 63.5 -69.8 -11.8 109.1 18.5 -23.7 58 62 A K T 3 S+ 0 0 186 4,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.530 91.6 82.1 -88.3 -7.7 110.1 18.5 -27.4 59 63 A S S <> S- 0 0 41 -3,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.604 86.9-119.7 -93.7 157.6 107.5 15.8 -28.2 60 64 A D H > S+ 0 0 148 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.918 114.3 45.0 -58.6 -47.3 103.8 16.3 -28.8 61 65 A Q H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 112.1 51.1 -66.3 -44.6 102.8 14.1 -25.8 62 66 A G H > S+ 0 0 4 -6,-0.5 4,-2.0 1,-0.2 -5,-0.2 0.898 111.7 47.1 -60.5 -45.0 105.3 15.6 -23.4 63 67 A L H X S+ 0 0 42 -4,-2.2 4,-2.5 -7,-0.3 -1,-0.2 0.911 111.4 51.7 -62.0 -45.3 104.2 19.2 -24.2 64 68 A E H X S+ 0 0 113 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.900 111.6 46.3 -59.0 -44.6 100.5 18.2 -23.8 65 69 A L H X S+ 0 0 16 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.857 111.4 51.9 -68.4 -37.3 101.1 16.6 -20.4 66 70 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 109.7 48.9 -63.5 -46.5 103.2 19.6 -19.2 67 71 A L H X S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.842 108.7 54.0 -62.9 -35.5 100.5 22.1 -20.2 68 72 A K H < S+ 0 0 86 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.890 111.6 44.8 -64.1 -41.6 97.9 19.9 -18.4 69 73 A L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.2 0.919 113.5 49.7 -66.0 -46.3 100.0 20.1 -15.2 70 74 A I H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.825 100.4 65.2 -64.3 -33.5 100.6 23.8 -15.6 71 75 A A T 3< S+ 0 0 34 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.742 108.6 40.8 -60.0 -23.9 96.8 24.4 -16.1 72 76 A K T < S+ 0 0 87 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.355 100.3 97.4-106.2 3.2 96.3 23.3 -12.5 73 77 A A < - 0 0 5 -3,-1.3 -64,-0.2 -4,-0.2 28,-0.1 -0.530 57.7-153.9 -95.7 158.6 99.3 25.0 -10.9 74 78 A D S S+ 0 0 27 -66,-2.4 29,-2.6 1,-0.3 2,-0.4 0.771 84.2 27.5 -89.9 -35.0 99.7 28.3 -9.0 75 79 A V E -bd 9 103A 0 -67,-2.0 -65,-2.9 27,-0.2 2,-0.4 -0.977 57.6-164.1-135.8 139.6 103.4 28.8 -10.0 76 80 A L E -bd 10 104A 0 27,-2.7 29,-3.2 -2,-0.4 2,-0.5 -0.996 11.2-163.7-119.6 130.1 105.8 27.8 -12.8 77 81 A I E +bd 11 105A 1 -67,-2.8 -65,-2.9 -2,-0.4 2,-0.3 -0.961 13.7 169.0-112.7 126.7 109.5 28.1 -12.3 78 82 A E E - d 0 106A 0 27,-2.3 29,-3.0 -2,-0.5 -65,-0.1 -0.999 16.4-178.3-135.9 141.8 111.9 28.0 -15.3 79 83 A G + 0 0 35 -67,-0.4 -64,-0.3 -2,-0.3 2,-0.1 -0.124 43.6 114.9-130.5 36.3 115.6 28.8 -15.4 80 84 A Y S S- 0 0 48 1,-0.2 3,-0.1 -66,-0.1 -2,-0.1 -0.420 76.8 -71.4 -94.7 174.9 116.6 28.4 -19.0 81 85 A R > - 0 0 87 -2,-0.1 3,-2.0 1,-0.1 4,-0.4 -0.353 66.7 -86.0 -58.5 146.4 117.9 31.0 -21.5 82 86 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.320 118.6 30.2 -53.0 137.7 115.2 33.5 -22.6 83 87 A G T 3> S+ 0 0 20 -3,-0.1 4,-2.4 4,-0.0 5,-0.2 0.097 90.7 101.3 97.6 -22.3 113.3 32.0 -25.6 84 88 A V H <> S+ 0 0 34 -3,-2.0 4,-1.5 2,-0.2 6,-0.2 0.957 86.6 39.8 -62.3 -53.6 113.8 28.4 -24.5 85 89 A T H >>S+ 0 0 0 -4,-0.4 5,-2.9 1,-0.2 4,-1.0 0.884 113.3 57.9 -63.8 -36.9 110.3 27.9 -23.1 86 90 A E H >45S+ 0 0 89 4,-0.3 3,-0.8 1,-0.2 5,-0.3 0.923 106.2 47.9 -55.3 -47.7 108.9 30.0 -26.0 87 91 A R H 3<5S+ 0 0 181 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 109.8 54.1 -65.0 -31.0 110.4 27.5 -28.5 88 92 A L H 3<5S- 0 0 29 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.694 117.6-110.4 -73.7 -20.9 109.0 24.6 -26.5 89 93 A G T <<5S+ 0 0 18 -4,-1.0 -3,-0.2 -3,-0.8 -2,-0.1 0.597 96.8 103.2 91.1 17.4 105.4 26.0 -26.6 90 94 A L < + 0 0 0 -5,-2.9 -4,-0.3 -6,-0.2 -5,-0.1 0.089 45.8 132.5-117.7 19.6 105.6 26.7 -22.9 91 95 A G S > S- 0 0 5 -6,-0.6 4,-2.4 -5,-0.3 3,-0.4 -0.147 74.9 -97.0 -64.9 166.2 106.1 30.5 -23.1 92 96 A P H > S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.846 123.8 53.6 -54.7 -38.8 104.1 32.9 -20.9 93 97 A E H > S+ 0 0 167 2,-0.2 4,-0.7 1,-0.2 -7,-0.0 0.853 111.1 45.3 -67.1 -37.2 101.6 33.6 -23.8 94 98 A E H >> S+ 0 0 79 -3,-0.4 4,-0.5 2,-0.2 3,-0.5 0.892 113.6 48.8 -72.2 -41.7 100.9 29.8 -24.3 95 99 A C H >X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 3,-0.9 0.842 104.0 61.2 -66.2 -33.6 100.5 29.2 -20.5 96 100 A A H 3< S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 95.3 62.7 -63.9 -28.1 98.1 32.2 -20.2 97 101 A K H << S+ 0 0 156 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.778 116.2 28.8 -67.1 -28.7 95.7 30.5 -22.6 98 102 A V H << S+ 0 0 71 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.573 137.3 18.4-107.4 -15.1 95.2 27.6 -20.2 99 103 A N >< + 0 0 21 -4,-1.6 3,-1.2 3,-0.1 -1,-0.2 -0.599 51.2 175.2-162.6 89.5 95.8 29.3 -16.9 100 104 A D T 3 S+ 0 0 94 1,-0.2 77,-2.2 -3,-0.1 -4,-0.1 0.456 83.4 64.3 -80.5 1.6 95.7 33.1 -16.5 101 105 A R T 3 S+ 0 0 103 75,-0.3 -1,-0.2 -28,-0.1 2,-0.2 0.400 77.5 120.1 -98.1 -1.7 96.2 32.8 -12.7 102 106 A L < - 0 0 10 -3,-1.2 2,-0.8 75,-0.2 76,-0.6 -0.416 60.5-140.8 -70.3 134.0 99.7 31.3 -13.1 103 107 A I E -de 75 178A 0 -29,-2.6 -27,-2.7 74,-0.2 2,-0.9 -0.889 19.9-156.6 -89.2 111.2 102.7 33.1 -11.6 104 108 A Y E -de 76 179A 6 74,-2.3 76,-3.0 -2,-0.8 2,-0.7 -0.820 9.4-165.1 -97.7 103.7 105.3 32.6 -14.4 105 109 A A E -de 77 180A 0 -29,-3.2 -27,-2.3 -2,-0.9 2,-0.6 -0.823 4.9-166.5-103.4 113.8 108.6 32.8 -12.7 106 110 A R E -de 78 181A 8 74,-3.2 76,-2.4 -2,-0.7 2,-0.7 -0.876 2.6-165.3-107.7 111.7 111.7 33.3 -14.9 107 111 A M E + e 0 182A 4 -29,-3.0 2,-0.3 -2,-0.6 76,-0.2 -0.860 26.0 141.6-104.3 109.0 115.0 32.8 -13.2 108 112 A T E - e 0 183A 12 74,-2.5 76,-2.2 -2,-0.7 4,-0.1 -0.836 49.9-131.7-135.6 174.3 118.1 34.0 -15.2 109 113 A G S S+ 0 0 4 74,-0.3 76,-2.4 -2,-0.3 77,-0.3 0.868 105.7 27.2 -90.0 -49.3 121.4 35.7 -14.6 110 114 A W S S- 0 0 9 1,-0.3 3,-0.2 9,-0.2 7,-0.2 0.583 109.1-117.9 -92.8 -14.4 121.3 38.5 -17.2 111 115 A G - 0 0 1 71,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.440 38.3 -62.7 99.5-177.8 117.5 39.0 -17.5 112 116 A Q S S+ 0 0 37 -2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 0.722 112.9 23.0 -83.5 -23.4 115.0 38.6 -20.3 113 117 A T S S+ 0 0 92 -3,-0.2 3,-0.2 552,-0.1 556,-0.1 -0.774 78.2 78.5-133.5 175.4 116.5 41.2 -22.7 114 118 A G S > S- 0 0 23 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.155 84.8 -64.8 105.2 163.8 119.7 43.1 -23.4 115 119 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.680 131.8 40.1 -62.4 -21.9 123.1 42.5 -25.1 116 120 A R T > S+ 0 0 32 -3,-0.2 3,-2.2 -6,-0.2 -6,-0.1 0.464 84.5 102.4-101.1 -2.7 124.2 39.7 -22.7 117 121 A S T < S+ 0 0 18 -3,-1.6 -7,-0.1 1,-0.3 -1,-0.1 0.653 83.2 45.8 -63.6 -19.3 120.8 38.0 -22.4 118 122 A Q T 3 S+ 0 0 95 -4,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.369 91.6 105.9-101.1 4.7 121.7 35.1 -24.7 119 123 A Q S < S- 0 0 27 -3,-2.2 -9,-0.2 1,-0.1 529,-0.1 -0.692 70.9-121.6 -90.6 134.8 125.1 34.4 -23.2 120 124 A A + 0 0 14 -2,-0.4 530,-0.3 -11,-0.1 2,-0.3 -0.299 46.5 147.9 -62.2 153.2 125.9 31.4 -21.0 121 125 A G - 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0 0 60 -3,-1.7 3,-1.7 1,-0.2 4,-0.2 -0.728 42.6-172.5 -84.2 92.5 140.3 15.2 45.7 1332 265 D R G > S+ 0 0 111 -2,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.778 77.4 66.3 -61.6 -28.4 140.9 16.7 49.1 1333 266 D A G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.764 110.6 37.1 -61.2 -26.6 144.4 15.3 49.3 1334 267 D R G <> S+ 0 0 94 -3,-1.7 4,-2.4 -6,-0.1 3,-0.3 0.223 82.5 110.3-112.6 11.6 145.4 17.6 46.4 1335 268 D W H <> S+ 0 0 18 -3,-1.1 4,-3.0 1,-0.2 5,-0.2 0.874 76.6 55.1 -54.4 -41.1 143.3 20.6 47.4 1336 269 D P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 109.5 47.7 -61.1 -37.4 146.4 22.6 48.3 1337 270 D E H > S+ 0 0 84 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.917 113.1 47.8 -64.4 -46.0 147.8 22.0 44.8 1338 271 D L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.921 111.0 50.9 -60.4 -46.1 144.4 22.9 43.2 1339 272 D R H X S+ 0 0 44 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.888 107.3 53.9 -60.1 -40.5 144.2 26.1 45.3 1340 273 D A H X S+ 0 0 61 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.891 109.8 47.4 -62.2 -39.6 147.7 27.1 44.3 1341 274 D L H X S+ 0 0 48 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.893 114.7 45.2 -68.8 -41.5 146.8 26.8 40.5 1342 275 D L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.871 111.0 54.9 -68.1 -37.0 143.6 28.8 40.9 1343 276 D T H X S+ 0 0 66 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.927 108.2 47.9 -61.5 -47.3 145.4 31.4 43.0 1344 277 D E H X S+ 0 0 143 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.908 112.7 50.4 -59.4 -43.8 148.0 31.9 40.3 1345 278 D A H >< S+ 0 0 13 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.962 113.8 41.3 -61.3 -54.8 145.2 32.2 37.7 1346 279 D F H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -49,-0.6 0.839 110.1 59.1 -64.9 -33.0 143.1 34.8 39.5 1347 280 D A H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.633 91.0 73.3 -69.1 -13.3 146.2 36.8 40.6 1348 281 D S T << S+ 0 0 70 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 0.627 104.3 27.3 -80.4 -14.9 147.2 37.3 37.0 1349 282 D H S < S- 0 0 68 -3,-1.1 -52,-2.4 -4,-0.3 -51,-0.2 -0.945 87.1 -97.0-142.3 162.2 144.4 39.9 36.2 1350 283 D D > - 0 0 68 -2,-0.3 4,-1.3 -54,-0.2 3,-0.4 -0.215 39.6-101.5 -77.8 169.7 142.3 42.5 38.1 1351 284 D R H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.893 121.3 57.2 -57.7 -43.0 138.8 42.0 39.6 1352 285 D D H > S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 101.7 57.2 -54.6 -41.6 137.3 44.0 36.6 1353 286 D H H > S+ 0 0 18 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.910 104.4 49.6 -59.2 -45.3 138.8 41.5 34.2 1354 287 D W H X S+ 0 0 11 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.794 105.0 60.0 -68.7 -25.7 137.1 38.5 35.8 1355 288 D G H X S+ 0 0 36 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.919 108.6 43.7 -60.5 -46.1 133.9 40.4 35.6 1356 289 D A H < S+ 0 0 27 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.911 115.3 48.4 -64.9 -44.6 134.3 40.6 31.8 1357 290 D V H < S+ 0 0 10 -4,-2.3 -1068,-0.2 1,-0.2 -2,-0.2 0.893 120.9 34.3 -64.3 -41.7 135.3 36.9 31.5 1358 291 D F H >< S+ 0 0 6 -4,-2.4 3,-1.5 -5,-0.2 5,-0.2 0.325 82.5 135.4-103.0 7.5 132.5 35.5 33.7 1359 292 D A T 3< S+ 0 0 32 -4,-0.7 -1070,-0.1 -3,-0.5 3,-0.1 -0.307 82.6 0.2 -56.0 132.4 129.7 38.0 32.7 1360 293 D N T 3 S+ 0 0 95 1,-0.2 -1,-0.3 -531,-0.1 2,-0.3 0.828 107.6 125.1 53.0 37.1 126.5 36.1 32.0 1361 294 D S < - 0 0 8 -3,-1.5 3,-0.3 4,-0.2 -1,-0.2 -0.757 68.6-129.8-117.1 168.0 128.1 32.7 32.8 1362 295 D D S S+ 0 0 53 -2,-0.3 -47,-0.2 1,-0.2 -48,-0.2 0.057 75.9 112.1-100.4 22.9 127.2 29.9 35.2 1363 296 D A S S- 0 0 0 -5,-0.2 -58,-0.3 -49,-0.2 -1,-0.2 0.612 79.0-130.8 -71.0 -13.1 130.8 29.8 36.5 1364 297 D C + 0 0 6 -530,-0.4 -59,-2.3 -3,-0.3 2,-0.5 0.896 59.7 138.9 58.9 42.9 129.7 31.1 40.0 1365 298 D V E +J 1304 0K 12 -61,-0.2 -1,-0.2 -7,-0.2 -61,-0.2 -0.983 23.2 166.8-117.4 125.2 132.4 33.8 40.0 1366 299 D T E -J 1303 0K 3 -63,-2.1 -63,-3.0 -2,-0.5 2,-0.2 -0.957 38.5-100.3-138.2 151.3 131.4 37.2 41.3 1367 300 D P E -J 1302 0K 18 0, 0.0 2,-1.0 0, 0.0 -65,-0.2 -0.514 29.8-130.0 -70.3 140.2 133.2 40.5 42.4 1368 301 D V - 0 0 1 -67,-2.6 -67,-0.5 -2,-0.2 2,-0.3 -0.808 33.5-160.9 -89.0 99.9 133.6 41.0 46.1 1369 302 D L - 0 0 4 -527,-2.4 -521,-0.5 -2,-1.0 -524,-0.3 -0.636 12.3-133.3 -88.5 138.5 132.2 44.5 46.5 1370 303 D A >> - 0 0 12 -2,-0.3 3,-2.0 -522,-0.1 4,-0.9 -0.536 35.8-102.4 -77.9 156.6 132.9 46.8 49.5 1371 304 D F G >4 S+ 0 0 6 -526,-0.4 3,-1.2 1,-0.3 4,-0.5 0.876 121.5 57.4 -46.5 -45.9 129.9 48.6 50.9 1372 305 D G G 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.675 108.0 46.8 -62.2 -21.2 130.9 51.9 49.2 1373 306 D E G X4 S+ 0 0 54 -3,-2.0 3,-1.7 1,-0.1 4,-0.3 0.546 87.2 88.3 -93.7 -18.4 130.8 50.2 45.7 1374 307 D V G X< S+ 0 0 1 -3,-1.2 3,-1.7 -4,-0.9 6,-0.2 0.860 80.0 59.7 -56.4 -41.0 127.5 48.4 46.1 1375 308 D H G 3 S+ 0 0 65 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.609 101.5 56.8 -66.9 -13.4 125.3 51.3 44.8 1376 309 D N G < S+ 0 0 110 -3,-1.7 -1,-0.3 4,-0.0 -2,-0.2 0.462 79.2 107.7 -94.7 -4.5 127.3 51.2 41.5 1377 310 D E <> - 0 0 33 -3,-1.7 4,-2.5 -4,-0.3 3,-0.5 -0.645 67.6-139.8 -79.4 123.1 126.5 47.6 40.6 1378 311 D P H > S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 100.6 50.3 -51.5 -42.8 124.0 47.2 37.8 1379 312 D H H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 6,-0.1 0.875 112.7 47.7 -65.8 -36.9 122.0 44.3 39.3 1380 313 D I H 4>S+ 0 0 5 -3,-0.5 5,-1.6 -6,-0.2 6,-0.4 0.908 115.1 46.4 -65.9 -44.6 121.7 46.2 42.6 1381 314 D I H ><5S+ 0 0 88 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.939 110.2 50.2 -63.7 -50.6 120.6 49.4 40.8 1382 315 D E H 3<5S+ 0 0 123 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 114.0 44.2 -67.3 -28.0 118.0 47.9 38.5 1383 316 D R T 3<5S- 0 0 7 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.426 103.5-128.3 -94.5 0.1 116.2 45.9 41.2 1384 317 D N T < 5 + 0 0 109 -3,-1.3 -3,-0.2 -4,-0.4 12,-0.1 0.906 47.0 161.3 51.4 47.9 116.2 48.9 43.7 1385 318 D T < + 0 0 2 -5,-1.6 11,-2.8 -6,-0.1 2,-0.3 0.813 66.1 34.0 -63.9 -29.2 117.7 46.8 46.5 1386 319 D F E -K 1395 0L 12 -6,-0.4 2,-0.3 9,-0.3 7,-0.1 -0.835 65.2-161.7-124.6 160.9 118.7 50.1 48.2 1387 320 D Y E -K 1394 0L 24 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.940 28.5-108.1-133.1 158.7 117.4 53.7 48.5 1388 321 D E E +K 1393 0L 126 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.766 38.0 171.3 -89.8 132.0 119.1 56.9 49.6 1389 322 D A - 0 0 47 3,-3.1 -1,-0.1 -2,-0.4 4,-0.1 0.096 62.7 -26.7-105.4-138.5 118.3 58.4 53.0 1390 323 D N S S- 0 0 147 1,-0.2 -2,-0.1 -2,-0.1 3,-0.0 0.928 127.4 -37.6 -39.2 -80.0 120.0 61.3 54.7 1391 324 D G S S+ 0 0 73 -477,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.171 125.4 64.6-136.3 13.9 123.4 61.0 53.0 1392 325 D G S S- 0 0 14 -5,-0.0 -3,-3.1 -477,-0.0 2,-0.3 -0.881 80.0 -99.8-137.1 167.8 123.7 57.2 52.8 1393 326 D W E -K 1388 0L 77 -2,-0.3 -5,-0.2 -5,-0.2 -479,-0.1 -0.648 33.6-174.7 -89.4 144.1 122.2 54.1 51.3 1394 327 D Q E -K 1387 0L 2 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.2 -0.972 31.4 -98.4-136.1 149.5 119.8 51.8 53.2 1395 328 D P E -K 1386 0L 0 0, 0.0 -9,-0.3 0, 0.0 3,-0.1 -0.491 34.0-126.7 -73.8 135.7 118.2 48.5 52.2 1396 329 D M - 0 0 43 -11,-2.8 12,-0.1 -2,-0.2 -492,-0.1 -0.322 47.4 -71.6 -66.5 158.4 114.7 48.5 50.8 1397 330 D P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 -0.186 61.0-118.4 -52.8 143.4 112.1 46.2 52.5 1398 331 D A S S+ 0 0 2 -3,-0.1 2,-0.2 -497,-0.1 -502,-0.1 -0.963 75.0 29.3-136.6 151.3 112.4 42.4 51.9 1399 332 D P S S- 0 0 2 0, 0.0 2,-0.3 0, 0.0 -503,-0.2 0.712 82.0-126.3 -77.1-170.3 111.0 40.1 50.8 1400 333 D R E -Y 895 0G 65 -505,-2.4 -505,-2.7 -2,-0.2 2,-0.4 -0.746 13.9-151.0-107.7 150.4 108.8 41.5 48.0 1401 334 D F E -Y 894 0G 10 -2,-0.3 -507,-0.2 -507,-0.2 5,-0.1 -0.970 8.3-150.5-125.8 132.4 105.1 41.1 47.5 1402 335 D S S S+ 0 0 79 -509,-2.1 3,-0.2 -2,-0.4 -1,-0.1 0.831 93.9 21.5 -73.0 -35.2 103.3 41.2 44.1 1403 336 D R S S+ 0 0 106 -510,-0.2 2,-0.8 1,-0.2 -1,-0.1 0.864 129.5 37.1-101.3 -49.8 99.9 42.6 45.2 1404 337 D T S S- 0 0 21 -4,-0.0 -1,-0.2 -523,-0.0 2,-0.1 -0.685 82.4-170.8-106.9 77.2 100.5 44.4 48.5 1405 338 D A - 0 0 56 -2,-0.8 2,-0.1 -3,-0.2 -3,-0.1 -0.411 22.1-115.1 -74.1 140.8 103.9 45.9 47.9 1406 339 D S - 0 0 28 -2,-0.1 -307,-0.1 1,-0.1 2,-0.1 -0.399 29.2-124.0 -70.9 149.3 105.8 47.6 50.8 1407 340 D S - 0 0 62 -309,-0.4 -1,-0.1 1,-0.1 3,-0.1 -0.406 36.8 -82.4 -84.1 165.4 106.5 51.4 50.6 1408 341 D Q - 0 0 120 -2,-0.1 -1,-0.1 1,-0.1 -12,-0.1 -0.551 67.1 -94.6 -60.5 132.5 109.8 53.1 50.8 1409 342 D P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -311,-0.1 -0.193 32.4-120.2 -56.9 142.6 110.5 53.3 54.6 1410 343 D R - 0 0 132 -3,-0.1 -290,-2.5 1,-0.1 -289,-0.2 -0.726 34.4-119.1 -79.4 131.1 109.5 56.5 56.5 1411 344 D P - 0 0 101 0, 0.0 -290,-0.2 0, 0.0 -291,-0.1 -0.174 42.1 -74.2 -66.1 162.3 112.6 58.0 58.1 1412 345 D P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -293,-0.1 -0.352 58.7-167.1 -55.1 135.4 112.9 58.5 61.9 1413 346 D A - 0 0 66 -295,-0.3 -300,-0.4 1,-0.1 -290,-0.1 -0.700 27.7 -67.6-121.5 174.3 110.7 61.4 63.0 1414 347 D A - 0 0 61 -2,-0.2 -291,-0.4 -302,-0.1 -1,-0.1 -0.200 58.2 -93.7 -62.4 150.9 110.3 63.5 66.2 1415 348 D T - 0 0 63 -293,-0.1 2,-0.3 1,-0.0 -291,-0.2 -0.414 44.7-161.3 -64.0 137.1 109.0 62.0 69.5 1416 349 D I - 0 0 63 -293,-2.7 -291,-0.4 -2,-0.1 2,-0.2 -0.774 24.4 -89.5-118.4 165.8 105.2 62.3 70.0 1417 350 D D >> - 0 0 128 -2,-0.3 4,-0.9 -293,-0.1 3,-0.8 -0.513 25.0-132.2 -77.0 141.6 102.9 62.1 73.0 1418 351 D I H >> S+ 0 0 11 -293,-0.3 4,-2.5 1,-0.2 3,-0.5 0.857 105.7 63.2 -56.9 -39.4 101.4 58.7 74.0 1419 352 D E H 3> S+ 0 0 109 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.817 98.0 55.8 -58.1 -34.4 98.0 60.3 74.4 1420 353 D A H <> S+ 0 0 56 -3,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.856 109.9 45.5 -65.2 -37.2 98.0 61.1 70.6 1421 354 D V H S+ 0 0 5 -4,-2.5 5,-3.0 2,-0.2 4,-0.6 0.843 108.3 49.9 -63.5 -36.5 95.9 56.4 72.3 1423 356 D T H <5S+ 0 0 107 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.874 113.3 47.5 -67.1 -39.0 93.4 58.7 70.6 1424 357 D D H <5S+ 0 0 80 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.7 40.5 -65.6 -44.8 94.4 57.2 67.3 1425 358 D W H <5S- 0 0 1 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.463 112.7-119.5 -85.6 -3.0 94.1 53.6 68.6 1426 359 D D T <5 0 0 126 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.958 360.0 360.0 61.3 57.7 90.9 54.4 70.6 1427 360 D G < 0 0 50 -5,-3.0 -4,-0.2 -8,-0.1 -5,-0.1 0.094 360.0 360.0-135.0 360.0 92.3 53.6 74.1