==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-12 4ANC . COMPND 2 MOLECULE: NUCLEOSIDE DIPHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.GEORGESCAULD,L.MOYNIE,J.HABERSETZER,I.LASCU,A.DAUTANT . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.4 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 . 21 15.6 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 . 1 0.7 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 . 1 0.7 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 . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 2 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 T 0 0 132 0, 0.0 2,-0.2 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 154.8 15.2 38.0 12.6 2 3 A E E -A 77 0A 69 75,-2.8 75,-1.8 2,-0.0 2,-0.4 -0.759 360.0-134.9-124.7 167.1 15.1 41.1 14.7 3 4 A R E +A 76 0A 92 -2,-0.2 2,-0.3 73,-0.2 73,-0.2 -0.990 24.1 178.6-123.1 133.8 14.1 42.3 18.1 4 5 A T E -A 75 0A 0 71,-2.3 71,-2.9 -2,-0.4 2,-0.4 -0.980 27.0-121.5-133.7 148.2 12.2 45.6 18.7 5 6 A L E -A 74 0A 0 -2,-0.3 113,-1.5 69,-0.2 2,-0.4 -0.737 27.7-168.9 -87.5 133.8 10.8 47.3 21.7 6 7 A V E -AB 73 117A 4 67,-2.9 67,-1.6 -2,-0.4 2,-0.4 -0.983 3.8-165.4-124.7 133.6 7.1 48.1 21.7 7 8 A L E -AB 72 116A 0 109,-2.0 109,-1.9 -2,-0.4 2,-0.7 -0.956 12.5-158.9-115.8 134.0 5.2 50.3 24.1 8 9 A I E -AB 71 115A 7 63,-2.6 63,-2.2 -2,-0.4 107,-0.2 -0.935 32.3-144.6-104.9 104.9 1.5 50.5 24.6 9 10 A K >> - 0 0 9 105,-1.7 4,-1.4 -2,-0.7 3,-0.9 -0.069 25.9 -92.4 -71.8 168.4 1.1 54.0 26.2 10 11 A P H 3> S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.737 125.6 54.0 -53.4 -28.8 -1.4 55.0 29.0 11 12 A D H 3> S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.847 103.1 55.6 -76.5 -34.6 -3.8 56.3 26.4 12 13 A G H <4>S+ 0 0 0 -3,-0.9 5,-1.9 102,-0.3 6,-0.3 0.830 112.7 44.6 -61.3 -31.9 -3.8 52.9 24.6 13 14 A I H ><5S+ 0 0 39 -4,-1.4 3,-2.0 3,-0.2 -2,-0.2 0.915 109.1 53.0 -79.1 -46.9 -4.8 51.4 27.9 14 15 A E H 3<5S+ 0 0 155 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.818 111.8 48.9 -55.7 -31.3 -7.4 54.0 28.8 15 16 A R T 3<5S- 0 0 127 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.300 114.8-118.6 -96.3 8.0 -9.0 53.2 25.4 16 17 A Q T < 5S+ 0 0 170 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.966 71.4 130.0 58.6 62.9 -8.9 49.5 26.0 17 18 A L >< + 0 0 14 -5,-1.9 4,-2.6 2,-0.1 5,-0.3 0.227 29.0 106.4-131.6 9.9 -6.6 48.6 23.0 18 19 A I H > S+ 0 0 55 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.968 90.4 37.8 -53.7 -58.1 -4.0 46.4 24.7 19 20 A G H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 113.9 56.5 -65.0 -36.4 -5.4 43.2 23.1 20 21 A E H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 112.4 41.8 -60.5 -46.2 -6.2 44.9 19.8 21 22 A I H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.956 115.4 48.3 -66.4 -52.8 -2.6 46.0 19.4 22 23 A I H X S+ 0 0 29 -4,-2.6 4,-3.0 -5,-0.3 -2,-0.2 0.908 110.1 54.7 -53.4 -45.2 -1.1 42.7 20.6 23 24 A S H X S+ 0 0 42 -4,-2.7 4,-3.5 1,-0.2 5,-0.3 0.937 104.8 51.6 -54.7 -52.2 -3.4 40.9 18.2 24 25 A R H X S+ 0 0 38 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.884 112.2 48.0 -53.4 -41.7 -2.3 42.9 15.2 25 26 A I H >X>S+ 0 0 10 -4,-1.9 5,-1.5 2,-0.2 4,-0.6 0.972 113.5 46.2 -62.3 -55.1 1.3 42.0 16.0 26 27 A E H ><5S+ 0 0 109 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.925 111.0 53.1 -50.3 -50.7 0.5 38.4 16.5 27 28 A R H 3<5S+ 0 0 173 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 99.5 62.1 -62.1 -28.6 -1.5 38.2 13.3 28 29 A K H <<5S- 0 0 96 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.692 123.5-105.5 -69.7 -17.8 1.4 39.7 11.3 29 30 A G T <<5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.6 49,-0.2 0.384 78.6 132.9 106.7 -0.9 3.3 36.6 12.3 30 31 A L < - 0 0 11 -5,-1.5 2,-0.4 47,-0.1 -1,-0.4 -0.414 48.3-132.4 -79.5 158.6 5.5 38.3 14.9 31 32 A T E -C 76 0A 79 45,-2.7 45,-2.6 -2,-0.1 2,-0.8 -0.939 10.3-124.5-121.6 135.4 6.0 36.8 18.4 32 33 A I E +C 75 0A 57 -2,-0.4 43,-0.2 43,-0.2 3,-0.1 -0.660 31.0 173.6 -75.2 108.6 5.8 38.4 21.8 33 34 A A E + 0 0 49 41,-3.0 2,-0.3 -2,-0.8 -1,-0.2 0.791 69.6 8.8 -88.0 -32.6 9.2 37.6 23.4 34 35 A A E +C 74 0A 19 40,-1.2 40,-1.3 101,-0.0 -1,-0.3 -0.982 65.7 175.5-145.5 154.1 8.6 39.7 26.5 35 36 A L E +C 73 0A 90 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.911 6.9 157.3-164.0 130.2 5.6 41.5 27.9 36 37 A Q E -C 72 0A 100 36,-2.4 36,-2.5 -2,-0.3 2,-0.5 -0.887 35.0-138.0-162.7 125.8 4.8 43.4 31.1 37 38 A L E +C 71 0A 108 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.749 49.3 155.3 -76.2 125.6 2.5 46.0 32.5 38 39 A R E -C 70 0A 74 32,-2.8 32,-2.9 -2,-0.5 2,-0.2 -0.956 42.6-110.6-150.1 163.3 4.7 48.3 34.5 39 40 A T - 0 0 108 -2,-0.3 2,-0.5 30,-0.2 27,-0.1 -0.626 31.0-126.8 -95.2 160.5 5.1 51.8 35.9 40 41 A V - 0 0 15 28,-0.2 2,-0.1 -2,-0.2 -2,-0.0 -0.935 13.0-142.9-115.3 124.1 7.8 54.3 34.7 41 42 A S > - 0 0 68 -2,-0.5 4,-2.0 1,-0.1 0, 0.0 -0.383 30.4-109.8 -74.3 159.0 10.2 56.1 36.9 42 43 A A H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.877 119.1 52.3 -55.5 -38.1 11.2 59.7 36.1 43 44 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.956 106.8 48.8 -65.4 -53.9 14.6 58.5 35.1 44 45 A L H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 107.0 58.0 -53.8 -43.9 13.5 55.8 32.6 45 46 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.908 110.5 40.9 -55.2 -47.9 11.1 58.2 30.9 46 47 A S H < S+ 0 0 41 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.900 111.9 53.9 -70.8 -42.8 13.9 60.7 30.0 47 48 A Q H >< S+ 0 0 82 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.868 111.2 49.5 -58.1 -35.3 16.5 58.1 29.1 48 49 A H H 3< S+ 0 0 7 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.2 0.905 116.1 40.5 -67.2 -43.6 13.8 56.8 26.7 49 50 A Y T 3< S+ 0 0 28 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.026 77.7 116.3 -98.5 27.4 13.1 60.2 25.2 50 51 A A X + 0 0 45 -3,-0.8 3,-2.2 1,-0.2 4,-0.4 0.842 67.3 65.9 -65.0 -34.2 16.7 61.4 25.1 51 52 A E T 3 S+ 0 0 105 -3,-0.4 -1,-0.2 1,-0.3 3,-0.2 0.917 117.7 26.7 -52.6 -45.4 16.5 61.6 21.3 52 53 A H T 3 S+ 0 0 46 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 -0.038 91.9 126.6-103.7 28.1 14.0 64.4 21.7 53 54 A E < + 0 0 36 -3,-2.2 2,-1.1 1,-0.2 -1,-0.2 0.954 68.5 45.5 -50.5 -66.2 15.5 65.3 25.1 54 55 A G S S+ 0 0 81 -4,-0.4 -1,-0.2 -3,-0.2 -4,-0.0 -0.718 93.6 102.5 -84.8 99.4 16.1 68.9 24.4 55 56 A K S > S- 0 0 67 -2,-1.1 3,-0.8 -3,-0.1 4,-0.3 -0.968 80.4 -93.6-166.6 175.3 12.9 70.2 22.8 56 57 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.633 117.8 45.1 -76.4 -17.5 9.6 72.1 23.3 57 58 A F T 3> S+ 0 0 57 -5,-0.2 4,-1.0 1,-0.1 5,-0.1 0.272 80.2 103.3-111.5 9.7 7.4 69.0 24.1 58 59 A F H <> S+ 0 0 43 -3,-0.8 4,-1.9 2,-0.2 3,-0.3 0.921 74.2 56.7 -61.0 -49.6 9.7 67.2 26.5 59 60 A G H >> S+ 0 0 50 -4,-0.3 4,-2.2 1,-0.3 3,-0.9 0.945 113.5 34.6 -47.1 -71.7 7.9 68.2 29.7 60 61 A S H 3> S+ 0 0 86 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.653 110.9 68.3 -63.1 -15.2 4.4 66.8 29.0 61 62 A L H 3X S+ 0 0 50 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.3 0.927 108.3 35.0 -67.9 -44.4 6.1 64.0 27.2 62 63 A L H X S+ 0 0 40 -4,-1.4 3,-2.4 -5,-0.2 4,-0.6 0.976 107.2 48.7 -68.6 -58.9 2.4 61.5 30.2 65 66 A I H 3< S+ 0 0 1 -4,-1.7 -25,-0.2 1,-0.3 -1,-0.2 0.675 118.0 46.1 -56.9 -16.4 4.5 58.3 30.1 66 67 A T T 3< S+ 0 0 52 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.341 88.6 85.1-109.2 3.2 4.4 58.6 33.9 67 68 A S T <4 S- 0 0 87 -3,-2.4 -2,-0.1 1,-0.1 -1,-0.1 0.841 106.1 -5.2 -77.2 -34.8 0.7 59.4 34.5 68 69 A G S < S- 0 0 23 -4,-0.6 -28,-0.2 1,-0.1 -1,-0.1 -0.879 92.4 -69.3-146.2 178.1 -0.4 55.8 34.4 69 70 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.252 45.4-152.6 -69.5 162.5 1.1 52.3 33.9 70 71 A V E - C 0 38A 0 -32,-2.9 -32,-2.8 -34,-0.1 2,-0.7 -0.890 15.3-121.4-130.1 163.8 2.3 51.2 30.4 71 72 A V E -AC 8 37A 8 -63,-2.2 -63,-2.6 -2,-0.3 2,-0.3 -0.923 30.4-170.4-108.6 110.1 2.6 47.9 28.6 72 73 A A E +AC 7 36A 0 -36,-2.5 -36,-2.4 -2,-0.7 2,-0.3 -0.705 10.4 169.2 -97.2 152.5 6.2 47.2 27.5 73 74 A A E -AC 6 35A 10 -67,-1.6 -67,-2.9 -2,-0.3 2,-0.6 -0.992 34.6-132.1-160.2 150.8 7.1 44.3 25.2 74 75 A I E -AC 5 34A 0 -40,-1.3 -41,-3.0 -2,-0.3 -40,-1.2 -0.949 26.8-160.9-105.0 117.5 9.9 42.8 23.1 75 76 A V E -AC 4 32A 1 -71,-2.9 -71,-2.3 -2,-0.6 2,-0.3 -0.877 11.0-172.1-103.6 129.3 8.6 41.8 19.6 76 77 A E E +AC 3 31A 58 -45,-2.6 -45,-2.7 -2,-0.5 2,-0.3 -0.913 26.3 79.8-126.7 145.7 10.6 39.3 17.6 77 78 A G E > S-A 2 0A 12 -75,-1.8 -75,-2.8 -2,-0.3 3,-1.8 -0.921 78.5 -20.5 153.0-176.1 10.5 38.0 14.1 78 79 A T T 3 S- 0 0 109 1,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.417 130.3 -12.8 -61.4 123.6 11.4 38.6 10.4 79 80 A R T 3> S+ 0 0 173 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 0.822 84.3 167.6 51.9 35.3 11.9 42.4 9.9 80 81 A A H <> + 0 0 0 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.861 68.2 53.7 -44.8 -45.4 10.3 42.9 13.3 81 82 A I H > S+ 0 0 22 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.956 114.1 35.8 -59.7 -58.9 11.4 46.5 13.4 82 83 A A H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 116.4 55.0 -63.5 -45.1 10.0 47.7 10.0 83 84 A A H X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.900 107.5 48.9 -55.7 -46.8 6.9 45.5 10.3 84 85 A V H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.922 112.2 47.6 -61.9 -46.0 5.9 47.0 13.7 85 86 A R H X S+ 0 0 135 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.803 109.8 56.0 -64.0 -28.9 6.3 50.5 12.5 86 87 A Q H < S+ 0 0 113 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.907 109.9 43.8 -66.8 -42.9 4.3 49.5 9.5 87 88 A L H < S+ 0 0 31 -4,-2.2 15,-2.9 1,-0.2 -2,-0.2 0.811 114.0 52.1 -69.9 -31.2 1.4 48.3 11.7 88 89 A A H < S- 0 0 3 -4,-2.0 15,-1.9 13,-0.2 16,-0.3 0.826 97.5-148.6 -78.8 -35.3 1.7 51.4 13.9 89 90 A G < - 0 0 13 -4,-1.8 8,-0.1 13,-0.1 -1,-0.1 -0.127 33.7 -40.5 87.2 171.8 1.5 54.1 11.1 90 91 A G - 0 0 33 2,-0.2 7,-0.2 -4,-0.1 6,-0.1 -0.168 61.6-102.0 -67.3 165.9 3.1 57.5 10.9 91 92 A T S S+ 0 0 82 1,-0.1 -1,-0.1 5,-0.1 18,-0.0 0.884 111.6 61.7 -60.2 -43.9 3.3 59.9 13.8 92 93 A N S >>S- 0 0 55 1,-0.1 5,-2.7 2,-0.0 4,-2.0 -0.790 74.2-159.2 -88.7 110.8 0.4 62.0 12.7 93 94 A P T 45S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.580 84.4 37.7 -68.6 -15.1 -2.7 59.7 12.6 94 95 A V T 45S+ 0 0 81 14,-0.1 15,-0.0 5,-0.0 -2,-0.0 0.791 127.2 25.7-106.4 -40.1 -4.7 61.8 10.2 95 96 A Q T 45S+ 0 0 165 3,-0.1 3,-0.0 -5,-0.0 0, 0.0 0.676 135.8 22.6-101.2 -21.8 -2.3 63.3 7.6 96 97 A A T <5S+ 0 0 65 -4,-2.0 -5,-0.1 -6,-0.1 2,-0.1 0.808 100.8 80.7-110.6 -55.3 0.5 60.7 7.7 97 98 A A S - 0 0 55 1,-0.1 3,-1.7 -2,-0.1 6,-0.3 -0.509 29.8 -96.6 -79.2 149.0 -2.6 55.2 6.5 99 100 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.413 112.4 45.9 -58.4 143.4 -6.0 53.7 7.3 100 101 A G T 3 S+ 0 0 48 1,-0.5 2,-0.1 2,-0.1 -11,-0.0 0.031 91.0 103.2 105.6 -26.5 -5.5 50.1 8.5 101 102 A T S <> S- 0 0 16 -3,-1.7 4,-1.6 1,-0.1 -1,-0.5 -0.339 85.5-108.5 -78.8 169.0 -2.7 51.1 10.9 102 103 A I H > S+ 0 0 5 -15,-2.9 4,-2.1 2,-0.2 5,-0.4 0.978 120.9 36.7 -61.8 -57.3 -3.1 51.3 14.6 103 104 A R H > S+ 0 0 26 -15,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.886 115.5 57.0 -62.3 -39.4 -2.8 55.1 14.7 104 105 A G H 4 S+ 0 0 24 -6,-0.3 -1,-0.2 -16,-0.3 -2,-0.2 0.815 115.0 36.7 -62.5 -31.5 -4.7 55.4 11.4 105 106 A D H < S+ 0 0 76 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.774 133.8 18.0 -91.8 -29.4 -7.7 53.5 12.8 106 107 A F H < S+ 0 0 54 -4,-2.1 -3,-0.2 -5,-0.2 2,-0.2 0.667 102.8 81.7-120.3 -22.2 -7.8 54.8 16.4 107 108 A A < + 0 0 11 -4,-2.1 6,-0.1 -5,-0.4 3,-0.1 -0.533 30.3 170.3-100.5 158.4 -5.8 58.0 16.8 108 109 A L + 0 0 144 4,-0.4 2,-0.4 1,-0.2 -14,-0.1 0.449 65.6 61.1-133.9 -15.7 -6.6 61.7 16.2 109 110 A E - 0 0 88 3,-0.5 -1,-0.2 1,-0.1 0, 0.0 -0.944 66.9-139.0-126.4 141.5 -3.7 63.5 17.8 110 111 A T S S+ 0 0 68 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.882 107.8 49.0 -60.5 -39.3 0.1 63.5 17.2 111 112 A Q S S+ 0 0 129 1,-0.2 2,-2.1 2,-0.1 -1,-0.2 0.982 106.0 53.7 -64.6 -60.0 0.6 63.6 20.9 112 113 A F + 0 0 86 1,-0.2 -3,-0.5 2,-0.1 -4,-0.4 -0.505 67.4 154.2 -79.3 77.8 -1.7 60.8 21.9 113 114 A N - 0 0 20 -2,-2.1 2,-3.2 -3,-0.2 -1,-0.2 0.315 40.1-145.5 -94.5 6.3 -0.2 58.2 19.6 114 115 A L + 0 0 0 -3,-0.1 -105,-1.7 -106,-0.1 -102,-0.3 -0.034 69.6 45.3 68.1 -41.8 -1.3 55.1 21.5 115 116 A V E -B 8 0A 2 -2,-3.2 2,-0.3 -107,-0.2 -107,-0.2 -0.858 57.7-155.7-137.1 160.1 1.9 53.1 20.6 116 117 A H E +B 7 0A 27 -109,-1.9 -109,-2.0 -2,-0.3 2,-0.3 -0.997 10.9 179.1-137.9 141.9 5.7 53.2 20.3 117 118 A G E -B 6 0A 13 -2,-0.3 -111,-0.2 -111,-0.2 -2,-0.0 -0.997 40.3 -98.7-140.0 136.6 8.0 51.1 18.2 118 119 A S - 0 0 0 -113,-1.5 -33,-0.2 -2,-0.3 -34,-0.1 -0.259 27.6-149.8 -53.6 134.4 11.8 51.3 17.9 119 120 A D S S+ 0 0 89 1,-0.1 2,-0.3 -34,-0.0 -1,-0.1 0.527 70.3 7.4 -89.5 -6.4 12.7 53.3 14.8 120 121 A S S > S- 0 0 39 1,-0.1 4,-3.4 -39,-0.0 5,-0.2 -0.990 75.2-101.2-165.8 163.3 16.0 51.5 14.1 121 122 A A H > S+ 0 0 68 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.905 122.5 53.3 -54.6 -44.6 18.3 48.6 15.0 122 123 A E H > S+ 0 0 158 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.924 113.6 42.0 -56.9 -47.9 20.4 51.1 16.9 123 124 A S H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.939 111.4 54.7 -66.0 -49.2 17.4 52.3 18.9 124 125 A A H X S+ 0 0 2 -4,-3.4 4,-2.7 1,-0.3 5,-0.3 0.930 108.1 48.3 -51.5 -53.7 15.9 48.9 19.4 125 126 A Q H X S+ 0 0 156 -4,-2.3 4,-1.1 1,-0.2 -1,-0.3 0.808 115.9 46.2 -57.3 -31.4 19.1 47.5 21.0 126 127 A R H X S+ 0 0 101 -4,-1.0 4,-0.9 -3,-0.5 -1,-0.2 0.865 114.4 44.5 -80.2 -39.2 19.3 50.5 23.2 127 128 A E H X S+ 0 0 12 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.832 110.7 53.4 -79.0 -34.5 15.6 50.6 24.3 128 129 A I H X S+ 0 0 21 -4,-2.7 4,-3.2 -5,-0.3 -1,-0.2 0.941 108.7 49.9 -62.8 -48.4 15.4 46.9 25.0 129 130 A A H < S+ 0 0 60 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.844 113.8 49.8 -55.5 -31.6 18.5 47.1 27.3 130 131 A L H < S+ 0 0 37 -4,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.901 121.5 27.8 -77.2 -43.8 16.7 50.0 28.9 131 132 A W H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.775 135.1 29.3 -92.6 -31.5 13.2 48.4 29.6 132 133 A F < + 0 0 24 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 -0.555 67.1 160.4-127.5 67.9 14.3 44.8 29.8 133 134 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.796 76.8 47.0 -63.2 -29.2 17.9 44.9 31.2 134 135 A G 0 0 71 -3,-0.1 -2,-0.1 0, 0.0 -5,-0.0 0.990 360.0 360.0 -72.3 -71.9 17.7 41.3 32.4 135 136 A A 0 0 108 -7,-0.1 -3,-0.1 -6,-0.0 -101,-0.0 -0.035 360.0 360.0 -44.3 360.0 16.2 39.5 29.4