==== 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 TRANSFERASE 27-JAN-03 1NRZ . COMPND 2 MOLECULE: PTS SYSTEM, SORBOSE-SPECIFIC IIB COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR G.L.ORRISS,B.ERNI,T.SCHIRMER . 652 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.3 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 4 0.6 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 . 74 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 27.1 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 0 4 0 8 4 3 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 3 3 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 . 1 3 0 0 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 2 A M 0 0 25 0, 0.0 2,-0.6 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 140.9 -16.9 11.4 24.6 2 3 A Q E -a 78 0A 118 75,-3.3 77,-2.8 72,-0.2 2,-0.8 -0.949 360.0-148.2-106.8 113.3 -17.3 8.4 22.4 3 4 A I E +a 79 0A 37 -2,-0.6 97,-0.2 95,-0.3 77,-0.2 -0.703 23.5 170.4 -84.4 111.5 -14.7 5.8 23.0 4 5 A T E S+ 0 0 55 75,-2.1 2,-0.3 -2,-0.8 76,-0.2 0.672 70.4 13.2 -94.2 -18.0 -13.9 4.0 19.8 5 6 A L E -a 80 0A 16 74,-1.2 76,-2.8 2,-0.0 2,-0.4 -0.944 55.9-172.8-156.7 132.4 -10.8 2.0 21.1 6 7 A A E +a 81 0A 1 95,-0.3 97,-3.4 -2,-0.3 2,-0.4 -0.980 22.1 178.6-128.3 117.0 -9.5 1.4 24.6 7 8 A R E -ab 82 103A 4 74,-2.3 76,-2.6 -2,-0.4 2,-0.8 -0.966 30.4-147.0-130.5 129.8 -6.1 -0.4 24.5 8 9 A I E +ab 83 104A 0 95,-2.6 97,-3.3 -2,-0.4 98,-1.7 -0.882 42.5 142.7 -88.3 113.9 -3.6 -1.6 27.1 9 10 A D E > - b 0 106A 2 74,-2.6 3,-2.1 -2,-0.8 98,-0.2 -0.796 35.4-161.9-151.7 105.8 -0.2 -1.1 25.5 10 11 A D T 3 S+ 0 0 34 96,-2.1 263,-0.1 1,-0.3 3,-0.1 0.504 91.3 63.4 -77.4 -0.9 2.5 -0.0 27.8 11 12 A R T 3 S- 0 0 90 1,-0.2 -1,-0.3 95,-0.1 2,-0.1 0.362 87.8-170.9 -92.6 0.1 4.7 1.1 24.8 12 13 A L < + 0 0 1 -3,-2.1 2,-0.7 71,-0.2 -1,-0.2 -0.215 61.3 14.5 55.0-116.6 1.9 3.6 24.2 13 14 A I S S+ 0 0 26 -3,-0.1 2,-0.2 -2,-0.1 3,-0.1 -0.850 76.4 160.9 -94.2 114.7 2.6 5.3 20.8 14 15 A H >> - 0 0 34 -2,-0.7 3,-0.6 1,-0.3 4,-0.5 -0.643 46.9 -86.1-140.5 80.6 5.2 3.3 19.0 15 16 A G H >> S- 0 0 44 -2,-0.2 4,-2.0 1,-0.2 3,-0.7 -0.123 94.5 -4.9 64.9-150.8 5.5 3.7 15.3 16 17 A Q H 3> S+ 0 0 169 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.823 126.7 59.3 -50.9 -43.7 3.6 1.9 12.6 17 18 A V H <> S+ 0 0 49 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.923 110.3 41.5 -56.1 -47.3 1.7 -0.4 14.9 18 19 A T H X S+ 0 0 84 -4,-2.8 4,-1.3 1,-0.2 3,-0.5 0.926 111.8 49.1 -60.0 -45.5 -2.5 1.4 12.2 21 22 A W H 3X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.879 105.0 59.2 -61.4 -36.0 -4.5 1.0 15.4 22 23 A S H 3X>S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.3 5,-0.7 0.829 105.2 49.4 -64.8 -31.0 -5.3 4.8 15.3 23 24 A K H <<5S+ 0 0 146 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.760 108.7 52.2 -78.0 -27.9 -6.9 4.3 11.8 24 25 A V H <5S+ 0 0 84 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.917 112.8 46.1 -68.9 -43.0 -9.0 1.4 13.1 25 26 A A H <5S- 0 0 5 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.821 87.7-160.4 -68.0 -34.6 -10.1 3.7 16.0 26 27 A N T <5 + 0 0 129 -4,-1.6 2,-0.2 -5,-0.2 -3,-0.1 0.865 34.5 159.1 54.3 39.1 -10.8 6.6 13.6 27 28 A A < - 0 0 7 -5,-0.7 52,-0.2 1,-0.1 -1,-0.2 -0.604 49.5-143.3 -96.5 156.3 -10.7 8.9 16.7 28 29 A Q S S+ 0 0 106 50,-1.0 28,-2.4 -2,-0.2 2,-0.4 0.710 88.3 33.6 -81.4 -25.8 -10.0 12.6 16.9 29 30 A R E -cd 56 79A 35 49,-1.5 51,-2.5 26,-0.2 2,-0.6 -0.999 62.3-153.4-140.7 129.8 -8.0 12.4 20.1 30 31 A I E -cd 57 80A 0 26,-3.1 28,-2.6 -2,-0.4 2,-0.6 -0.932 21.4-165.5 -98.6 124.4 -5.7 9.8 21.5 31 32 A I E -cd 58 81A 10 49,-2.6 51,-2.4 -2,-0.6 2,-0.7 -0.948 10.8-155.7-119.5 113.8 -5.7 10.1 25.3 32 33 A I E -cd 59 82A 0 26,-3.0 28,-2.9 -2,-0.6 2,-0.8 -0.805 13.3-159.2 -87.8 118.8 -3.0 8.4 27.4 33 34 A C E +c 60 0A 0 49,-2.8 51,-0.4 -2,-0.7 2,-0.3 -0.861 39.3 117.2-106.1 102.7 -4.5 7.8 30.8 34 35 A N > - 0 0 3 26,-2.7 4,-1.4 -2,-0.8 -2,-0.1 -0.829 54.0-143.5-168.6 127.0 -1.8 7.3 33.4 35 36 A D H > S+ 0 0 37 -2,-0.3 4,-0.6 1,-0.2 26,-0.1 0.860 101.8 41.8 -59.9 -40.4 -0.8 9.2 36.6 36 37 A D H >4 S+ 0 0 59 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.881 107.4 56.2 -83.9 -35.6 3.0 8.6 36.2 37 38 A V H >4 S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 7,-0.3 0.909 100.8 61.6 -61.1 -40.2 3.4 9.2 32.5 38 39 A F H 3< S+ 0 0 63 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 101.9 54.3 -49.1 -36.3 1.8 12.7 32.9 39 40 A N T << S+ 0 0 92 -3,-0.8 2,-0.8 -4,-0.6 -1,-0.3 0.437 87.2 84.9 -86.2 0.7 4.7 13.5 35.2 40 41 A D <> - 0 0 3 -3,-1.9 4,-2.6 -4,-0.3 5,-0.3 -0.862 58.9-167.8-107.2 100.6 7.6 12.6 32.8 41 42 A E H > S+ 0 0 165 -2,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.836 85.3 50.2 -59.1 -37.2 8.2 15.7 30.7 42 43 A V H > S+ 0 0 58 2,-0.2 4,-2.0 237,-0.2 -1,-0.2 0.946 114.1 43.7 -67.2 -47.0 10.5 13.9 28.2 43 44 A R H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 112.9 51.8 -65.4 -43.0 8.0 11.1 27.6 44 45 A R H X S+ 0 0 79 -4,-2.6 4,-2.7 -7,-0.3 -1,-0.2 0.882 110.6 50.2 -59.0 -39.8 5.0 13.4 27.4 45 46 A T H X S+ 0 0 58 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.876 109.5 49.2 -68.8 -38.0 6.9 15.4 24.8 46 47 A L H X S+ 0 0 51 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.889 112.7 49.6 -65.6 -38.6 7.7 12.3 22.8 47 48 A L H >< S+ 0 0 9 -4,-2.3 3,-1.0 2,-0.2 -2,-0.2 0.949 111.4 46.6 -67.0 -49.3 4.0 11.3 23.0 48 49 A R H >< S+ 0 0 137 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.900 112.3 50.9 -60.9 -40.7 2.7 14.7 21.8 49 50 A Q H 3< S+ 0 0 148 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.647 103.0 62.2 -71.1 -14.3 5.3 14.9 19.0 50 51 A A T << S+ 0 0 40 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.308 71.6 135.1 -93.4 7.0 4.1 11.4 17.9 51 52 A A < - 0 0 35 -3,-1.4 3,-0.1 -4,-0.1 6,-0.1 -0.370 59.4-120.9 -59.2 124.3 0.5 12.5 17.2 52 53 A P > - 0 0 9 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.353 44.5 -81.3 -60.5 147.3 -0.6 11.0 13.8 53 54 A P T 3 S+ 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.221 118.2 17.6 -50.4 136.8 -1.6 13.7 11.3 54 55 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.323 110.5 95.8 81.6 -5.7 -5.2 14.9 11.9 55 56 A M < - 0 0 34 -3,-2.2 2,-0.3 -26,-0.0 -26,-0.2 -0.878 63.9-138.6-118.8 148.7 -5.2 13.6 15.4 56 57 A K E -c 29 0A 126 -28,-2.4 -26,-3.1 -2,-0.3 2,-0.4 -0.729 12.6-151.5 -98.7 155.3 -4.6 15.2 18.8 57 58 A V E +c 30 0A 9 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.995 14.2 178.9-126.4 132.0 -2.6 13.5 21.6 58 59 A N E -c 31 0A 36 -28,-2.6 -26,-3.0 -2,-0.4 2,-0.5 -0.993 15.9-155.2-131.2 140.2 -3.1 14.2 25.3 59 60 A V E +c 32 0A 0 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.968 30.6 165.4-114.7 117.0 -1.4 12.7 28.3 60 61 A V E -c 33 0A 11 -28,-2.9 -26,-2.7 -2,-0.5 -22,-0.2 -0.898 38.1-106.4-135.6 159.0 -3.5 12.9 31.5 61 62 A S > - 0 0 27 -2,-0.3 4,-2.8 -28,-0.2 5,-0.1 -0.294 40.9-109.8 -69.8 162.2 -4.0 11.6 35.0 62 63 A L H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.896 120.9 56.1 -61.3 -38.9 -6.8 9.2 35.7 63 64 A E H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 111.8 41.0 -56.6 -49.9 -8.5 12.0 37.7 64 65 A K H > S+ 0 0 107 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.891 109.5 59.2 -69.6 -37.7 -8.4 14.3 34.6 65 66 A A H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.929 110.8 42.9 -54.5 -45.2 -9.3 11.4 32.2 66 67 A V H X S+ 0 0 15 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.896 113.6 52.0 -67.5 -40.1 -12.6 10.9 34.2 67 68 A A H < S+ 0 0 59 -4,-2.1 4,-0.3 -5,-0.2 3,-0.2 0.938 111.9 43.9 -64.1 -47.7 -13.2 14.7 34.5 68 69 A V H >< S+ 0 0 32 -4,-2.9 3,-1.1 1,-0.2 6,-0.3 0.863 108.3 59.7 -69.5 -33.7 -12.9 15.4 30.8 69 70 A Y H 3< S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.892 108.9 44.7 -56.6 -40.2 -15.0 12.3 30.0 70 71 A H T 3< S+ 0 0 103 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.430 89.1 105.7 -86.4 0.7 -17.8 13.9 32.0 71 72 A N X - 0 0 62 -3,-1.1 3,-2.3 -4,-0.3 -3,-0.0 -0.746 64.0-148.9 -86.1 116.2 -17.4 17.4 30.5 72 73 A P G > S+ 0 0 96 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.670 90.3 78.8 -58.8 -18.5 -20.2 18.0 28.0 73 74 A Q G 3 S+ 0 0 143 1,-0.3 3,-0.2 2,-0.1 -5,-0.0 0.829 102.8 37.5 -55.9 -29.9 -17.8 20.2 25.9 74 75 A Y G X S+ 0 0 51 -3,-2.3 3,-1.2 -6,-0.3 -1,-0.3 0.075 79.2 128.2-111.3 22.8 -16.4 16.9 24.6 75 76 A Q T < S+ 0 0 125 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.843 83.3 28.0 -46.8 -46.9 -19.8 15.0 24.4 76 77 A D T 3 S+ 0 0 131 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.358 89.2 125.3-103.1 3.8 -19.3 13.9 20.8 77 78 A E < - 0 0 25 -3,-1.2 -75,-3.3 1,-0.1 2,-0.4 -0.412 58.4-130.5 -64.7 134.2 -15.5 13.8 20.6 78 79 A T E -a 2 0A 25 -77,-0.2 -49,-1.5 -2,-0.1 -50,-1.0 -0.741 29.0-163.8 -90.9 136.6 -14.2 10.4 19.4 79 80 A V E -ad 3 29A 0 -77,-2.8 -75,-2.1 -2,-0.4 -74,-1.2 -0.971 25.6-161.7-133.0 137.2 -11.4 9.0 21.6 80 81 A F E -ad 5 30A 1 -51,-2.5 -49,-2.6 -2,-0.4 2,-0.4 -0.964 26.6-153.9-109.6 110.4 -8.7 6.3 21.5 81 82 A Y E -ad 6 31A 1 -76,-2.8 -74,-2.3 -2,-0.6 2,-0.4 -0.727 7.5-163.3 -89.4 137.1 -7.6 5.5 25.0 82 83 A L E +ad 7 32A 0 -51,-2.4 -49,-2.8 -2,-0.4 2,-0.3 -0.990 12.4 175.1-118.4 131.3 -4.2 4.2 25.8 83 84 A F E -a 8 0A 0 -76,-2.6 -74,-2.6 -2,-0.4 -71,-0.2 -0.909 29.6-148.3-126.3 158.3 -3.5 2.5 29.2 84 85 A T S S+ 0 0 24 -51,-0.4 -74,-0.2 -2,-0.3 -76,-0.1 0.555 82.0 10.5-100.6 -9.2 -0.4 0.7 30.6 85 86 A N S > S- 0 0 26 -76,-0.1 4,-0.8 22,-0.1 3,-0.2 -0.986 70.2-113.0-165.3 159.4 -2.3 -1.7 32.8 86 87 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.734 104.6 70.0 -75.8 -23.9 -5.7 -3.1 33.6 87 88 A H H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.910 100.2 48.6 -58.6 -43.2 -5.9 -1.6 37.2 88 89 A D H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.840 108.6 52.8 -68.5 -34.2 -6.2 1.9 35.7 89 90 A V H X S+ 0 0 0 -4,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.937 109.9 50.0 -64.1 -46.2 -9.0 0.8 33.3 90 91 A L H X S+ 0 0 13 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.908 107.4 53.8 -56.3 -45.9 -10.8 -0.7 36.3 91 92 A T H < S+ 0 0 44 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.929 113.2 42.3 -56.4 -45.5 -10.5 2.6 38.2 92 93 A M H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.2 0.910 111.6 53.9 -72.4 -40.6 -12.0 4.6 35.4 93 94 A V H ><5S+ 0 0 27 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.887 105.2 54.9 -59.2 -40.3 -14.8 2.1 34.6 94 95 A R T 3<5S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.665 104.7 56.6 -65.9 -17.3 -15.8 2.2 38.3 95 96 A Q T < 5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.130 130.8 -87.5-103.2 18.9 -16.1 6.0 37.9 96 97 A G T < 5S+ 0 0 39 -3,-1.6 2,-0.8 1,-0.3 -3,-0.2 0.469 77.5 143.7 95.3 2.3 -18.6 5.9 35.0 97 98 A V < - 0 0 2 -5,-2.1 2,-1.0 -8,-0.1 -1,-0.3 -0.677 47.2-137.9 -77.8 111.9 -16.3 5.7 32.0 98 99 A Q + 0 0 158 -2,-0.8 2,-0.6 -3,-0.1 -95,-0.3 -0.585 33.6 165.0 -79.0 100.7 -18.2 3.4 29.6 99 100 A I - 0 0 12 -2,-1.0 3,-0.1 1,-0.1 40,-0.1 -0.946 10.6-179.7-116.5 105.3 -15.7 0.9 28.0 100 101 A A S S+ 0 0 76 -2,-0.6 39,-2.7 1,-0.3 2,-0.4 0.856 73.1 17.5 -75.4 -40.0 -17.7 -1.9 26.4 101 102 A T E - e 0 139A 69 37,-0.2 2,-0.5 39,-0.0 -95,-0.3 -1.000 67.8-152.9-138.1 139.2 -14.6 -3.7 25.1 102 103 A L E - e 0 140A 0 37,-3.2 39,-3.2 -2,-0.4 2,-0.4 -0.954 10.2-147.4-110.8 123.6 -11.0 -3.5 26.2 103 104 A N E -be 7 141A 2 -97,-3.4 -95,-2.6 -2,-0.5 2,-0.6 -0.772 8.4-157.5 -90.1 130.5 -8.2 -4.3 23.7 104 105 A I E +be 8 142A 0 37,-2.5 39,-1.9 -2,-0.4 -95,-0.2 -0.966 28.0 152.0-110.3 117.5 -5.1 -5.8 25.3 105 106 A G E + 0 0 3 -97,-3.3 2,-0.3 -2,-0.6 -96,-0.2 0.666 60.4 9.8-118.6 -27.1 -2.0 -5.3 23.1 106 107 A G E +b 9 0A 9 -98,-1.7 -96,-2.1 37,-0.1 2,-0.4 -0.780 43.4 166.3-165.6 116.3 1.1 -5.2 25.2 107 108 A M B -g 120 0B 9 12,-2.8 14,-1.9 -2,-0.3 -22,-0.1 -0.921 38.0-136.2-130.3 101.9 2.0 -5.8 28.9 108 109 A A - 0 0 45 -2,-0.4 2,-0.2 12,-0.2 67,-0.1 -0.200 14.5-111.6 -68.4 146.0 5.7 -6.0 29.1 109 110 A W + 0 0 26 65,-0.1 -1,-0.1 4,-0.0 92,-0.0 -0.518 42.8 158.6 -73.7 139.9 7.6 -8.6 31.1 110 111 A R > - 0 0 92 -2,-0.2 3,-2.4 90,-0.0 64,-0.0 -0.949 54.6 -68.4-149.8 159.6 9.5 -7.6 34.3 111 112 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 90,-0.0 -0.297 123.6 36.6 -49.9 133.1 10.7 -9.6 37.3 112 113 A G T 3 S+ 0 0 51 1,-0.5 2,-0.2 432,-0.1 -3,-0.0 0.085 100.1 96.4 105.9 -20.2 7.6 -10.6 39.3 113 114 A K < - 0 0 12 -3,-2.4 -1,-0.5 10,-0.1 2,-0.4 -0.621 63.0-145.3 -96.6 159.7 5.5 -11.2 36.2 114 115 A K E -H 122 0B 118 8,-2.7 8,-2.4 -2,-0.2 2,-0.1 -0.997 26.5-115.7-123.6 126.6 4.9 -14.5 34.5 115 116 A Q E -H 121 0B 14 -2,-0.4 6,-0.3 6,-0.3 91,-0.2 -0.390 28.9-178.4 -64.1 135.9 4.5 -14.5 30.7 116 117 A L E - 0 0 26 4,-2.7 2,-0.3 1,-0.5 5,-0.2 0.837 65.8 -33.3 -95.7 -48.3 1.1 -15.6 29.5 117 118 A T E > S-H 120 0B 46 3,-1.6 3,-2.0 93,-0.0 -1,-0.5 -0.894 95.3 -42.2-162.6 174.9 1.7 -15.4 25.7 118 119 A K T 3 S+ 0 0 169 -2,-0.3 26,-0.1 1,-0.3 89,-0.0 -0.280 127.9 4.8 -53.2 135.8 3.8 -13.3 23.3 119 120 A A T 3 S+ 0 0 35 -13,-0.1 -12,-2.8 1,-0.0 2,-0.5 0.280 114.5 88.4 73.7 -6.9 3.6 -9.7 24.3 120 121 A V E < +gH 107 117B 0 -3,-2.0 -4,-2.7 -14,-0.2 -3,-1.6 -0.951 43.9 167.5-130.5 117.3 1.6 -10.2 27.5 121 122 A S E - 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0 0 6 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.649 44.7-132.9 -78.3 125.7 26.1 5.5 63.9 631 140 D K E -c 593 0H 153 -39,-2.8 -37,-3.6 -2,-0.5 2,-0.7 -0.623 15.1-142.0 -80.5 134.6 25.4 8.1 61.2 632 141 D L E -c 594 0H 14 -2,-0.3 2,-0.7 -39,-0.2 13,-0.6 -0.891 18.7-175.2-108.4 111.3 21.8 9.1 61.1 633 142 D D E -cD 595 644H 11 -39,-3.0 -37,-2.7 -2,-0.7 2,-0.8 -0.862 7.6-161.4-114.0 98.7 20.4 9.7 57.6 634 143 D L E +cD 596 643H 11 9,-3.0 9,-0.9 -2,-0.7 2,-0.3 -0.693 33.4 132.3 -87.1 107.7 16.8 11.0 57.4 635 144 D R - 0 0 68 -39,-1.8 7,-0.1 -2,-0.8 3,-0.1 -0.865 40.3-160.5-155.4 127.3 15.2 10.4 54.0 636 145 D V S S+ 0 0 47 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.946 88.4 22.9 -66.9 -50.6 11.8 9.1 53.2 637 146 D V S > S- 0 0 46 4,-0.1 3,-1.9 1,-0.1 -1,-0.1 -0.880 85.2-114.6-119.3 153.8 12.8 8.2 49.6 638 147 D A T 3 S+ 0 0 14 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.811 112.1 56.1 -55.9 -37.5 16.2 7.6 48.2 639 148 D S T 3 S+ 0 0 104 2,-0.1 -1,-0.3 -4,-0.0 3,-0.1 0.595 86.5 103.4 -75.0 -8.1 16.2 10.6 45.9 640 149 D D S < S- 0 0 65 -3,-1.9 2,-0.1 1,-0.1 3,-0.1 -0.416 85.9 -99.0 -71.9 151.4 15.6 13.0 48.8 641 150 D P - 0 0 106 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.473 45.1-109.3 -64.6 138.5 18.4 15.1 50.2 642 151 D S - 0 0 75 -2,-0.1 2,-0.4 -7,-0.1 -7,-0.2 -0.454 34.6-162.9 -70.7 143.8 19.8 13.4 53.4 643 152 D V E -D 634 0H 58 -9,-0.9 -9,-3.0 -2,-0.1 2,-0.8 -0.998 22.3-125.0-129.9 132.8 19.1 15.2 56.6 644 153 D N E > -D 633 0H 65 -2,-0.4 4,-2.2 -11,-0.2 3,-0.3 -0.695 21.4-152.9 -75.9 111.8 20.9 14.7 59.9 645 154 D I H > S+ 0 0 0 -2,-0.8 4,-2.7 -13,-0.6 -1,-0.2 0.834 91.7 53.2 -59.5 -36.2 18.0 13.9 62.3 646 155 D L H > S+ 0 0 10 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.908 108.1 50.2 -65.9 -42.2 19.8 15.2 65.4 647 156 D D H > S+ 0 0 95 -3,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.942 112.2 49.2 -58.3 -43.8 20.4 18.5 63.7 648 157 D K H < S+ 0 0 63 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.898 113.2 45.6 -63.1 -43.0 16.7 18.6 62.8 649 158 D I H >X S+ 0 0 5 -4,-2.7 3,-1.5 1,-0.2 4,-1.0 0.938 111.9 51.6 -64.7 -46.9 15.7 17.7 66.4 650 159 D N H 3< S+ 0 0 55 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.692 90.8 78.8 -64.5 -19.6 18.2 20.3 67.8 651 160 D E T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.789 114.3 17.5 -58.6 -27.6 16.7 23.0 65.5 652 161 D T T <4 S+ 0 0 128 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.435 121.2 64.2-123.0 -5.1 13.8 23.3 67.9 653 162 D A S < S- 0 0 46 -4,-1.0 2,-0.6 2,-0.1 0, 0.0 -0.634 76.7-111.5-119.3 177.3 15.0 21.7 71.1 654 163 D F 0 0 211 -2,-0.2 -4,-0.1 -3,-0.0 -3,-0.1 -0.759 360.0 360.0-120.1 87.0 17.7 22.3 73.8 655 164 D C 0 0 129 -2,-0.6 -2,-0.1 -5,-0.1 -5,-0.0 -0.826 360.0 360.0-166.2 360.0 20.6 19.9 74.0