==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 17-JAN-13 4IT5 . COMPND 2 MOLECULE: CO-CHAPERONE PROTEIN HSCB HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.OSIPIUK,M.GU,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK,CENTER F . 665 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 435 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 4 1 0 0 0 0 1 3 2 0 2 2 2 0 0 0 0 0 4 0 0 0 0 1 7 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 X 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.9 2.2 -11.4 33.0 2 2 A N > - 0 0 22 1,-0.1 4,-2.2 72,-0.0 5,-0.2 -0.431 360.0 -98.3 -84.7 170.8 5.4 -10.3 31.4 3 3 A Y H > S+ 0 0 50 1,-0.2 4,-0.7 2,-0.2 6,-0.2 0.823 122.1 51.5 -60.8 -34.2 5.9 -9.8 27.6 4 4 A F H >4>S+ 0 0 2 2,-0.2 5,-3.4 1,-0.2 3,-1.2 0.957 110.9 44.9 -67.3 -53.6 7.5 -13.3 27.2 5 5 A E H >45S+ 0 0 101 3,-0.3 3,-0.9 1,-0.3 -2,-0.2 0.833 104.3 66.4 -60.0 -33.0 4.7 -15.2 29.1 6 6 A L H 3<5S+ 0 0 23 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.811 112.4 32.4 -58.1 -31.5 2.2 -13.2 27.1 7 7 A F T <<5S- 0 0 3 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.361 117.8-112.0-103.7 3.2 3.5 -15.0 24.0 8 8 A G T < 5 + 0 0 66 -3,-0.9 -3,-0.3 -4,-0.4 -2,-0.1 0.775 69.4 147.3 70.3 28.5 4.2 -18.2 25.9 9 9 A L < - 0 0 22 -5,-3.4 -1,-0.2 -6,-0.2 2,-0.2 -0.651 53.5-107.5 -97.7 150.8 7.9 -17.6 25.3 10 10 A P - 0 0 79 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.520 40.0-105.8 -71.0 143.9 10.8 -18.6 27.6 11 11 A I S S+ 0 0 88 -2,-0.2 2,-0.3 2,-0.0 3,-0.1 -0.623 79.2 103.5 -74.0 101.2 12.5 -15.6 29.4 12 12 A Q S S- 0 0 80 -2,-1.1 121,-0.0 2,-0.1 59,-0.0 -0.963 78.3-110.7-169.4 163.4 15.8 -15.3 27.5 13 13 A F S S+ 0 0 18 -2,-0.3 2,-0.2 116,-0.2 -1,-0.1 0.854 91.1 92.2 -73.0 -36.7 17.5 -13.2 24.8 14 14 A E + 0 0 77 115,-0.1 2,-0.4 -3,-0.1 -2,-0.1 -0.429 61.1 178.0 -63.0 124.9 17.4 -16.0 22.2 15 15 A L - 0 0 43 -2,-0.2 2,-0.9 47,-0.0 3,-0.1 -0.985 36.8-135.2-142.1 130.5 14.2 -15.6 20.2 16 16 A D > - 0 0 84 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 -0.715 24.0-166.7 -76.4 104.6 12.5 -17.3 17.3 17 17 A G H > S+ 0 0 33 -2,-0.9 4,-2.1 257,-0.3 -1,-0.2 0.869 83.0 50.4 -65.2 -40.9 11.4 -14.2 15.2 18 18 A S H > S+ 0 0 48 256,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.900 111.0 49.9 -64.5 -41.9 9.1 -16.0 12.9 19 19 A L H > S+ 0 0 68 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 109.9 51.0 -62.0 -44.0 7.3 -17.7 15.8 20 20 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.904 109.4 50.3 -60.3 -43.6 6.9 -14.4 17.6 21 21 A S H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.824 113.5 45.7 -64.6 -32.9 5.4 -12.8 14.4 22 22 A S H X S+ 0 0 40 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.886 113.5 48.2 -76.7 -41.6 3.0 -15.7 14.2 23 23 A Q H X S+ 0 0 78 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.902 112.7 49.6 -63.5 -42.4 2.1 -15.6 17.9 24 24 A F H X S+ 0 0 18 -4,-2.9 4,-3.6 -5,-0.2 5,-0.3 0.928 107.9 54.3 -60.3 -46.4 1.6 -11.8 17.6 25 25 A R H X S+ 0 0 146 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.901 109.2 47.4 -55.2 -45.2 -0.6 -12.3 14.6 26 26 A A H X S+ 0 0 56 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 116.4 43.8 -64.2 -42.8 -2.9 -14.7 16.5 27 27 A L H X S+ 0 0 28 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.945 113.5 49.9 -65.7 -50.0 -3.1 -12.3 19.5 28 28 A Q H < S+ 0 0 90 -4,-3.6 4,-0.4 1,-0.2 -2,-0.2 0.846 113.1 48.4 -58.0 -37.2 -3.6 -9.2 17.3 29 29 A K H >< S+ 0 0 163 -4,-2.1 3,-0.6 -5,-0.3 -1,-0.2 0.915 113.9 46.3 -67.1 -45.7 -6.4 -11.0 15.5 30 30 A R H 3< S+ 0 0 166 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 119.5 37.3 -68.1 -39.2 -8.0 -12.2 18.7 31 31 A F T 3< S+ 0 0 37 -4,-2.9 -1,-0.2 -5,-0.1 20,-0.2 0.274 79.8 135.5-103.8 11.1 -7.9 -8.8 20.5 32 32 A H X - 0 0 43 -3,-0.6 3,-2.8 -4,-0.4 4,-0.2 -0.410 65.2-121.5 -59.6 131.9 -8.6 -6.6 17.6 33 33 A P G > S+ 0 0 21 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.720 108.5 71.6 -50.0 -29.6 -11.2 -3.9 18.6 34 34 A D G > S+ 0 0 111 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.791 88.4 63.3 -58.2 -27.9 -13.5 -5.1 15.9 35 35 A N G < S+ 0 0 100 -3,-2.8 -1,-0.3 1,-0.2 -3,-0.1 0.481 111.2 36.8 -76.2 -1.3 -14.1 -8.2 17.9 36 36 A F G X S+ 0 0 53 -3,-2.0 3,-1.9 -4,-0.2 -1,-0.2 0.192 75.7 122.2-133.6 12.6 -15.7 -6.1 20.7 37 37 A A T < S+ 0 0 48 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.1 0.778 86.0 34.7 -53.7 -33.7 -17.5 -3.5 18.7 38 38 A T T 3 S+ 0 0 146 -4,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.305 95.7 110.5-106.7 8.9 -20.9 -4.3 20.3 39 39 A A S < S- 0 0 35 -3,-1.9 -3,-0.1 1,-0.1 5,-0.0 -0.247 83.0 -78.4 -71.9 168.5 -19.6 -5.2 23.8 40 40 A S > - 0 0 66 1,-0.1 4,-2.4 4,-0.0 3,-0.2 -0.310 45.6-108.6 -63.3 154.1 -20.2 -3.1 26.8 41 41 A E H > S+ 0 0 153 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 119.8 54.4 -56.9 -37.1 -18.1 0.0 27.1 42 42 A R H > S+ 0 0 180 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 110.3 45.7 -62.5 -44.6 -16.1 -1.5 30.0 43 43 A D H > S+ 0 0 82 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.884 112.1 51.8 -66.4 -39.3 -15.3 -4.6 28.0 44 44 A R H X S+ 0 0 90 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 111.0 46.5 -61.7 -47.3 -14.3 -2.5 24.9 45 45 A L H X S+ 0 0 54 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.853 113.1 48.5 -67.9 -36.3 -11.9 -0.3 26.9 46 46 A X H X S+ 0 0 95 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.874 111.2 52.6 -68.9 -35.3 -10.3 -3.3 28.6 47 47 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.882 107.5 49.2 -67.9 -40.5 -10.0 -5.0 25.3 48 48 A V H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.865 110.7 52.2 -67.5 -33.7 -8.2 -2.0 23.6 49 49 A Q H X S+ 0 0 101 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.913 110.3 47.1 -65.9 -42.1 -5.8 -1.9 26.6 50 50 A Q H X S+ 0 0 56 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.895 112.6 50.3 -64.8 -39.1 -5.1 -5.6 26.2 51 51 A A H X S+ 0 0 8 -4,-2.4 4,-1.9 -20,-0.2 -2,-0.2 0.887 110.3 50.2 -64.7 -39.0 -4.6 -5.0 22.4 52 52 A A H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.910 109.2 50.3 -66.5 -44.0 -2.2 -2.1 23.2 53 53 A Q H X S+ 0 0 72 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.874 108.6 53.4 -60.6 -39.8 -0.2 -4.2 25.7 54 54 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.919 110.1 46.9 -61.2 -45.4 0.2 -7.0 23.0 55 55 A N H X S+ 0 0 47 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.916 114.1 47.9 -62.0 -45.3 1.5 -4.4 20.5 56 56 A D H X S+ 0 0 88 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.917 111.9 49.6 -59.1 -47.8 3.9 -3.0 23.1 57 57 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.927 112.1 48.2 -57.4 -48.3 5.0 -6.5 24.1 58 58 A Y H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 113.0 47.2 -59.5 -46.9 5.6 -7.4 20.4 59 59 A Q H X S+ 0 0 78 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.846 113.4 49.1 -64.9 -35.0 7.6 -4.2 19.8 60 60 A T H < S+ 0 0 22 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.885 116.9 40.7 -71.6 -39.0 9.7 -4.7 22.9 61 61 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.810 106.2 61.0 -81.4 -33.1 10.5 -8.3 22.1 62 62 A K H < S+ 0 0 90 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 0.799 96.1 68.1 -69.9 -26.8 11.1 -8.1 18.3 63 63 A D S X S- 0 0 59 -4,-0.8 4,-3.3 -5,-0.2 5,-0.2 -0.853 75.5-148.1 -97.8 120.6 14.0 -5.6 18.8 64 64 A P H > S+ 0 0 36 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.851 96.9 51.1 -52.3 -43.1 17.1 -7.2 20.4 65 65 A L H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 114.7 40.6 -64.3 -49.7 18.1 -3.9 22.2 66 66 A R H > S+ 0 0 145 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.903 117.3 51.6 -64.5 -39.1 14.6 -3.3 23.7 67 67 A R H X S+ 0 0 19 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.942 111.4 45.6 -61.7 -48.7 14.4 -7.0 24.5 68 68 A A H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.908 114.3 49.2 -60.2 -42.8 17.8 -7.0 26.2 69 69 A E H X S+ 0 0 76 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.886 109.5 51.9 -64.4 -39.2 16.8 -3.9 28.1 70 70 A Y H X S+ 0 0 36 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.908 106.8 54.0 -62.6 -43.1 13.6 -5.5 29.1 71 71 A L H < S+ 0 0 15 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.905 108.2 49.5 -56.0 -44.6 15.5 -8.5 30.4 72 72 A L H ><>S+ 0 0 4 -4,-2.0 5,-2.2 1,-0.2 3,-1.4 0.898 107.8 53.8 -60.9 -41.8 17.6 -6.1 32.5 73 73 A S H ><5S+ 0 0 43 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.786 98.9 62.6 -66.9 -27.9 14.5 -4.5 33.9 74 74 A L T 3<5S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 102.9 51.7 -67.6 -17.3 13.1 -7.9 34.9 75 75 A Q T < 5S- 0 0 112 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.339 127.5-101.7 -97.8 4.4 16.1 -8.0 37.2 76 76 A G T < 5S+ 0 0 70 -3,-1.4 2,-0.5 1,-0.3 -3,-0.2 0.687 80.2 138.1 79.9 19.1 15.3 -4.6 38.7 77 77 A I < + 0 0 55 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.870 22.4 167.5 -99.8 125.1 18.0 -3.0 36.6 78 78 A E - 0 0 178 -2,-0.5 2,-0.3 -3,-0.1 -9,-0.0 -0.999 17.4-152.5-133.2 140.6 17.3 0.4 34.9 79 79 A X 0 0 92 -2,-0.4 -2,-0.0 1,-0.1 -6,-0.0 -0.808 360.0 360.0-116.2 152.4 20.0 2.5 33.3 80 80 A N 0 0 193 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.843 360.0 360.0-100.1 360.0 20.4 6.3 32.6 81 ! 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 82 87 A Q 0 0 192 0, 0.0 5,-0.4 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 -90.2 30.7 7.4 28.3 83 88 A D >> - 0 0 55 3,-0.1 4,-2.4 1,-0.1 3,-0.7 0.930 360.0-152.8 44.1 76.0 33.7 5.5 27.1 84 89 A P H 3> S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.799 91.0 51.3 -50.4 -40.0 35.7 8.4 25.6 85 90 A X H 3> S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.905 109.6 49.2 -66.7 -42.0 37.5 6.2 23.1 86 91 A F H <> S+ 0 0 18 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.939 111.7 51.5 -59.4 -45.5 34.3 4.6 21.9 87 92 A L H X S+ 0 0 18 -4,-2.4 4,-2.1 -5,-0.4 -2,-0.2 0.942 109.7 48.4 -52.7 -53.6 32.9 8.1 21.5 88 93 A X H X S+ 0 0 28 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.905 111.6 49.3 -56.8 -44.7 35.8 9.3 19.5 89 94 A E H X S+ 0 0 100 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.887 109.1 52.0 -65.7 -38.6 35.7 6.3 17.2 90 95 A Q H X S+ 0 0 16 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.866 109.3 50.9 -65.3 -34.9 32.0 6.8 16.6 91 96 A X H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.904 110.9 48.7 -65.5 -42.1 32.7 10.4 15.7 92 97 A E H X S+ 0 0 99 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.912 111.1 49.1 -63.2 -45.3 35.4 9.2 13.3 93 98 A L H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.919 111.3 49.7 -60.6 -44.8 33.0 6.7 11.7 94 99 A R H X S+ 0 0 82 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.910 111.8 49.7 -59.1 -42.1 30.3 9.4 11.4 95 100 A E H X S+ 0 0 72 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.927 109.9 49.6 -61.8 -46.8 33.0 11.6 9.8 96 101 A E H >X S+ 0 0 89 -4,-3.0 3,-1.2 1,-0.2 4,-1.1 0.894 107.0 56.0 -60.3 -40.1 34.0 8.8 7.4 97 102 A L H 3< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 4,-0.4 0.876 102.4 55.7 -60.9 -37.9 30.4 8.3 6.4 98 103 A E H 3< S+ 0 0 93 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.641 104.7 54.5 -69.4 -14.9 30.0 11.9 5.4 99 104 A S H X< S+ 0 0 64 -3,-1.2 3,-1.1 -4,-0.6 -1,-0.2 0.747 81.8 88.3 -88.8 -26.8 32.9 11.5 3.0 100 105 A V G >< S+ 0 0 5 -4,-1.1 3,-0.8 -3,-0.5 9,-0.2 0.813 85.8 54.9 -38.5 -48.0 31.4 8.6 1.1 101 106 A T G 3 S+ 0 0 84 -4,-0.4 2,-1.3 1,-0.3 -1,-0.3 0.920 104.2 55.1 -52.2 -49.4 29.6 11.0 -1.2 102 107 A A G < S+ 0 0 87 -3,-1.1 -1,-0.3 -4,-0.3 2,-0.2 -0.312 91.5 106.7 -86.4 52.3 32.9 12.7 -2.1 103 108 A C S < S- 0 0 57 -2,-1.3 4,-0.1 -3,-0.8 80,-0.0 -0.753 83.1-108.8-119.1 170.7 34.6 9.4 -3.2 104 109 A A S S+ 0 0 95 1,-0.3 3,-0.1 -2,-0.2 78,-0.1 0.991 118.7 14.6 -58.7 -61.4 35.6 7.9 -6.5 105 110 A D S >> S+ 0 0 75 1,-0.2 4,-2.6 -3,-0.1 3,-0.6 -0.816 71.1 176.6-117.5 89.8 32.9 5.3 -6.2 106 111 A P H 3> S+ 0 0 22 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.887 84.4 57.3 -54.9 -44.4 30.5 6.5 -3.5 107 112 A E H 3> S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.844 112.2 41.3 -55.5 -37.0 28.3 3.5 -4.2 108 113 A A H <> S+ 0 0 42 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.849 113.4 50.8 -82.4 -37.3 31.3 1.2 -3.6 109 114 A A H X S+ 0 0 29 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.860 108.6 53.8 -67.9 -36.0 32.6 3.1 -0.5 110 115 A L H X S+ 0 0 9 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.935 108.0 49.6 -61.3 -48.1 29.1 3.0 1.0 111 116 A V H X S+ 0 0 60 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.930 112.4 48.1 -55.4 -48.5 29.0 -0.8 0.6 112 117 A A H X S+ 0 0 57 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 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113.3 50.2 -60.5 -42.4 21.8 5.3 14.8 153 158 A L H X S+ 0 0 11 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.961 109.4 50.4 -59.3 -51.4 24.9 5.0 12.7 154 159 A K H X S+ 0 0 40 -4,-3.6 4,-1.6 1,-0.3 -2,-0.2 0.859 108.3 54.3 -53.5 -37.7 23.3 2.2 10.7 155 160 A N H X S+ 0 0 88 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.3 0.888 105.6 52.6 -64.7 -38.1 20.3 4.5 10.2 156 161 A E H X S+ 0 0 39 -4,-1.9 4,-1.7 -3,-0.4 -2,-0.2 0.862 106.4 52.2 -67.7 -35.5 22.6 7.2 8.9 157 162 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.886 106.9 52.9 -67.6 -36.1 24.1 4.9 6.2 158 163 A E H X S+ 0 0 12 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.769 106.8 54.2 -69.6 -25.2 20.6 3.9 5.0 159 164 A R H X S+ 0 0 88 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.885 109.5 46.1 -68.9 -43.3 19.9 7.6 4.7 160 165 A V H X S+ 0 0 18 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.841 108.3 56.9 -69.8 -33.7 23.0 8.0 2.5 161 166 A E H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.900 106.1 50.0 -62.6 -39.9 22.0 5.0 0.5 162 167 A D H < S+ 0 0 32 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.5 52.4 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B G T <<5 + 0 0 62 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.903 68.4 139.1 69.4 43.0 36.9 18.7 -22.4 174 9 B L < - 0 0 20 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.836 56.1-105.1-114.6 152.9 37.1 14.9 -21.9 175 10 B P - 0 0 79 0, 0.0 2,-1.3 0, 0.0 -1,-0.0 -0.386 43.1 -96.5 -71.7 159.0 38.2 12.2 -24.3 176 11 B I S S+ 0 0 98 -2,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.635 82.3 106.2 -77.5 94.9 35.6 10.0 -26.0 177 12 B Q S S- 0 0 77 -2,-1.3 126,-0.0 2,-0.1 59,-0.0 -0.976 75.8-114.5-162.3 169.1 35.6 7.0 -23.7 178 13 B F S S+ 0 0 16 -2,-0.3 2,-0.2 121,-0.1 -1,-0.1 0.834 89.5 88.7 -81.5 -35.8 33.8 5.1 -21.0 179 14 B E + 0 0 77 120,-0.1 2,-0.3 -3,-0.1 -2,-0.1 -0.457 58.5 170.0 -67.6 134.0 36.4 5.7 -18.3 180 15 B L - 0 0 45 -2,-0.2 2,-0.6 47,-0.1 -2,-0.0 -0.963 35.3-133.1-154.5 125.5 35.7 8.9 -16.5 181 16 B D > - 0 0 86 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.721 16.2-162.1 -79.6 118.8 37.0 10.6 -13.4 182 17 B G H > S+ 0 0 30 -2,-0.6 4,-3.4 1,-0.2 5,-0.4 0.975 87.1 54.6 -61.8 -58.1 34.0 11.8 -11.3 183 18 B S H > S+ 0 0 90 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.810 112.1 46.6 -48.2 -39.3 35.9 14.3 -9.1 184 19 B L H >> S+ 0 0 72 2,-0.2 4,-1.9 3,-0.1 3,-1.1 0.994 118.3 37.4 -60.7 -77.2 37.1 16.0 -12.3 185 20 B L H 3X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.3 5,-0.2 0.838 114.1 55.5 -44.4 -51.4 33.9 16.2 -14.3 186 21 B S H 3X S+ 0 0 28 -4,-3.4 4,-0.7 1,-0.3 -1,-0.3 0.851 119.1 33.7 -56.0 -38.3 31.7 16.9 -11.2 187 22 B S H << S+ 0 0 71 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.571 116.0 57.6 -91.8 -13.3 33.9 19.9 -10.4 188 23 B Q H >X S+ 0 0 63 -4,-1.9 4,-1.1 2,-0.2 3,-0.5 0.722 99.1 60.7 -83.3 -27.0 34.5 20.6 -14.1 189 24 B F H 3X S+ 0 0 16 -4,-3.0 4,-2.5 -5,-0.3 3,-0.3 0.927 96.9 59.2 -59.8 -46.8 30.7 20.8 -14.5 190 25 B R H 3X S+ 0 0 137 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.694 99.3 60.3 -57.8 -20.9 30.7 23.8 -12.1 191 26 B A H <4 S+ 0 0 61 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.951 110.7 35.8 -73.1 -53.6 33.0 25.6 -14.5 192 27 B L H >X S+ 0 0 35 -4,-1.1 4,-2.8 -3,-0.3 3,-1.2 0.867 117.4 56.8 -64.0 -38.1 30.7 25.6 -17.5 193 28 B Q H 3< S+ 0 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0.744 96.4 65.5 -70.3 -24.3 15.4 22.8 -25.7 587 87 D Q T 3< S+ 0 0 113 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.703 99.3 55.2 -65.1 -20.7 12.6 24.0 -28.0 588 88 D D X> + 0 0 35 -3,-0.7 4,-1.4 -4,-0.2 3,-0.6 -0.607 59.5 159.1-120.6 73.4 10.8 25.3 -24.9 589 89 D P H 3> S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.782 70.6 64.3 -68.1 -32.8 13.2 27.7 -23.0 590 90 D X H 3> S+ 0 0 104 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.887 106.9 44.4 -57.5 -39.4 10.5 29.6 -21.1 591 91 D F H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.870 108.0 57.9 -73.4 -35.4 9.7 26.3 -19.3 592 92 D L H X S+ 0 0 6 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.912 106.6 49.6 -57.7 -42.9 13.4 25.6 -18.8 593 93 D X H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.873 108.6 52.0 -62.6 -39.0 13.5 28.9 -16.9 594 94 D E H X S+ 0 0 64 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.919 107.5 53.1 -62.9 -42.6 10.5 27.9 -14.9 595 95 D Q H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.891 108.9 50.0 -56.0 -43.0 12.3 24.7 -14.0 596 96 D X H X S+ 0 0 52 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.896 107.5 52.4 -65.8 -42.9 15.3 26.7 -12.9 597 97 D E H X S+ 0 0 117 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.890 111.3 47.8 -58.6 -41.6 13.2 29.0 -10.6 598 98 D L H X S+ 0 0 12 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.887 112.5 47.4 -70.1 -40.6 11.7 25.9 -8.9 599 99 D R H X S+ 0 0 70 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.934 113.0 49.6 -63.5 -46.9 15.0 24.2 -8.4 600 100 D E H X S+ 0 0 126 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.930 110.8 49.7 -54.0 -48.4 16.5 27.5 -7.0 601 101 D E H < S+ 0 0 73 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.777 107.2 55.9 -64.8 -26.9 13.4 27.8 -4.7 602 102 D L H >X S+ 0 0 1 -4,-1.4 3,-1.2 1,-0.2 4,-0.5 0.902 106.7 47.6 -72.9 -40.8 14.0 24.2 -3.6 603 103 D E H 3< S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.678 104.5 65.3 -69.2 -17.1 17.6 24.9 -2.5 604 104 D S T >< S+ 0 0 54 -4,-0.9 3,-0.6 -5,-0.2 -1,-0.2 0.587 85.8 72.8 -81.4 -12.5 16.1 28.0 -0.8 605 105 D V G X4 S+ 0 0 5 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.2 0.947 91.9 52.2 -65.6 -50.9 14.1 25.8 1.6 606 106 D T G 3< S+ 0 0 67 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.495 105.3 60.9 -65.9 -3.1 17.1 24.7 3.7 607 107 D A G < S+ 0 0 85 -3,-0.6 -1,-0.3 -4,-0.1 2,-0.2 0.192 88.5 79.3-116.4 14.4 18.1 28.3 4.2 608 108 D C S < S- 0 0 61 -3,-1.6 2,-0.5 -254,-0.0 -3,-0.0 -0.457 84.4-107.2-100.0-178.2 15.0 29.7 6.0 609 109 D A S S+ 0 0 58 1,-0.3 -2,-0.1 -2,-0.2 -257,-0.0 -0.988 111.8 26.4-110.7 133.6 14.0 29.5 9.6 610 110 D D S S+ 0 0 130 -2,-0.5 4,-0.4 -4,-0.1 -1,-0.3 0.938 77.9 164.7 65.0 66.6 11.1 27.1 9.8 611 111 D P > + 0 0 28 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.575 62.8 69.1 -88.6 -13.5 12.3 25.2 6.7 612 112 D E H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.870 101.3 45.9 -71.8 -38.3 10.1 22.2 7.3 613 113 D A H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.742 108.7 59.4 -72.5 -24.6 7.0 24.3 6.7 614 114 D A H > S+ 0 0 25 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.916 104.3 47.8 -67.2 -45.1 8.8 25.6 3.6 615 115 D L H X S+ 0 0 10 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.894 110.0 53.4 -63.7 -39.7 9.2 22.1 2.2 616 116 D V H X S+ 0 0 81 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.927 110.2 47.5 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1.4 17.8 -11.3 627 127 D R H X S+ 0 0 154 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.892 112.5 49.5 -50.6 -43.7 -2.4 17.4 -10.9 628 128 D H H X S+ 0 0 97 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.938 109.8 46.9 -66.0 -51.1 -2.8 20.3 -13.3 629 129 D Y H X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.843 111.4 53.2 -62.9 -35.2 -0.5 19.0 -16.1 630 130 D L H X S+ 0 0 48 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.908 108.7 49.0 -62.9 -43.8 -2.1 15.5 -15.9 631 131 D A H X S+ 0 0 56 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.880 113.1 47.5 -64.6 -38.5 -5.6 17.0 -16.3 632 132 D Q H X S+ 0 0 79 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 112.2 49.5 -67.3 -44.4 -4.4 19.0 -19.3 633 133 D L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.899 110.7 50.3 -59.4 -43.9 -2.7 15.9 -20.8 634 134 D Q H X S+ 0 0 86 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.918 113.2 45.2 -62.3 -45.0 -5.9 13.9 -20.3 635 135 D G H X S+ 0 0 25 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.826 113.5 51.7 -67.6 -31.4 -8.0 16.5 -22.0 636 136 D Q H <>S+ 0 0 44 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.893 110.6 45.1 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106.9 46.0 -64.4 -23.7 3.7 15.6 -26.0 647 147 D D H X S+ 0 0 43 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.733 108.9 54.9 -89.0 -27.0 4.7 18.8 -24.2 648 148 D Q H > S+ 0 0 17 -4,-0.2 4,-2.7 -5,-0.2 -2,-0.2 0.910 110.2 46.5 -65.9 -44.9 2.5 17.9 -21.2 649 149 D I H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.941 111.6 53.6 -57.7 -47.4 4.4 14.6 -21.0 650 150 D R H X S+ 0 0 17 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.913 111.9 43.0 -52.0 -49.0 7.5 16.7 -21.4 651 151 D K H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.877 112.7 52.8 -69.4 -37.3 6.6 18.9 -18.4 652 152 D L H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.832 102.7 58.6 -68.6 -33.1 5.4 15.9 -16.3 653 153 D K H X S+ 0 0 74 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.945 109.5 44.5 -58.2 -48.2 8.8 14.2 -16.9 654 154 D F H X S+ 0 0 11 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.902 109.9 55.7 -61.8 -41.9 10.4 17.2 -15.3 655 155 D I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.912 106.2 50.9 -55.8 -45.7 7.8 17.2 -12.5 656 156 D A H X S+ 0 0 39 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.887 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