==== 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 LIGASE 30-DEC-02 1NJ1 . COMPND 2 MOLECULE: PROLINE-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR S.KAMTEKAR,W.D.KENNEDY,J.WANG,C.STATHOPOULOS,D.SOLL,T.A.STEI . 464 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 40 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 0 2 0 0 1 1 4 0 0 0 0 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 3 3 1 1 1 1 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 . 2 2 0 1 0 0 0 0 0 0 1 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 19 A E > 0 0 191 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.8 -13.5 -88.0 -18.6 2 20 A F H > + 0 0 10 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.948 360.0 56.7 -62.1 -50.4 -15.2 -85.4 -20.7 3 21 A S H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.920 109.5 44.6 -46.9 -53.8 -18.6 -86.9 -20.0 4 22 A E H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 113.6 51.1 -59.5 -44.6 -18.2 -86.5 -16.3 5 23 A W H X S+ 0 0 54 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.949 111.6 47.4 -56.1 -52.4 -16.8 -83.0 -16.7 6 24 A F H X S+ 0 0 8 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.956 113.1 46.7 -53.3 -60.1 -19.8 -82.0 -18.9 7 25 A H H X S+ 0 0 72 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.862 114.4 48.6 -54.1 -40.2 -22.4 -83.4 -16.5 8 26 A N H X S+ 0 0 74 -4,-2.5 4,-3.3 -5,-0.3 -1,-0.2 0.904 111.5 47.6 -71.1 -39.2 -20.8 -81.8 -13.5 9 27 A I H X S+ 0 0 5 -4,-2.7 4,-2.8 -5,-0.2 6,-0.2 0.890 105.5 58.8 -70.0 -35.5 -20.4 -78.4 -15.0 10 28 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 -5,-0.2 6,-0.9 0.880 116.4 37.0 -58.8 -35.1 -24.0 -78.4 -16.3 11 29 A E H ><5S+ 0 0 145 -4,-1.2 3,-1.2 -5,-0.2 -2,-0.2 0.940 117.8 46.5 -81.9 -51.8 -25.0 -78.8 -12.6 12 30 A E H 3<5S+ 0 0 84 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.915 117.5 43.4 -58.6 -45.3 -22.4 -76.7 -10.9 13 31 A A T 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.478 111.6-126.9 -78.7 -2.0 -22.8 -73.8 -13.3 14 32 A E T < 5 + 0 0 98 -3,-1.2 18,-1.5 -5,-0.2 17,-0.4 0.931 61.6 140.9 55.0 54.9 -26.6 -74.4 -13.0 15 33 A I < - 0 0 0 -5,-2.9 14,-1.8 1,-0.4 2,-0.3 0.924 69.6 -4.9 -88.6 -57.9 -27.3 -74.6 -16.7 16 34 A I E -A 28 0A 5 -6,-0.9 2,-0.5 12,-0.2 -1,-0.4 -0.968 60.0-139.2-137.6 153.8 -29.8 -77.4 -16.8 17 35 A D E -A 27 0A 40 10,-1.9 10,-2.0 -2,-0.3 3,-0.2 -0.973 11.5-169.7-113.7 123.3 -31.3 -79.7 -14.2 18 36 A Q + 0 0 65 -2,-0.5 2,-0.6 8,-0.2 7,-0.2 0.486 60.2 100.9 -92.4 -2.7 -31.7 -83.3 -15.5 19 37 A R + 0 0 210 8,-0.1 -1,-0.2 2,-0.1 7,-0.1 0.104 47.9 132.5 -72.8 27.6 -33.8 -84.5 -12.6 20 38 A Y - 0 0 122 -2,-0.6 5,-0.2 5,-0.2 4,-0.1 -0.631 66.4-121.5 -82.5 136.4 -37.0 -84.3 -14.5 21 39 A P S S+ 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.468 94.5 71.6 -54.5 -4.3 -39.3 -87.4 -14.3 22 40 A V S > S- 0 0 62 3,-0.3 3,-1.2 0, 0.0 -2,-0.1 -0.957 87.8-121.1-123.4 118.5 -39.3 -87.9 -18.0 23 41 A K T 3 S+ 0 0 117 -2,-0.5 3,-0.1 1,-0.2 -4,-0.0 -0.243 93.3 19.5 -56.8 131.9 -36.2 -89.1 -19.8 24 42 A G T 3 S+ 0 0 1 -6,-0.1 119,-2.5 1,-0.1 120,-1.9 0.655 99.9 101.3 84.4 17.3 -34.7 -86.8 -22.4 25 43 A M < - 0 0 25 -3,-1.2 -3,-0.3 -5,-0.2 -5,-0.2 -0.929 50.6-177.5-137.5 110.0 -36.5 -83.7 -21.2 26 44 A H - 0 0 32 -2,-0.4 2,-0.4 118,-0.3 -8,-0.2 -0.656 23.3-118.4-111.9 165.5 -34.5 -81.2 -19.2 27 45 A V E -A 17 0A 66 -10,-2.0 -10,-1.9 -2,-0.2 2,-0.8 -0.839 17.0-137.1-103.2 133.1 -35.0 -77.9 -17.4 28 46 A W E -A 16 0A 42 -2,-0.4 -12,-0.2 -12,-0.2 -13,-0.1 -0.799 24.6-154.2 -88.9 114.1 -33.3 -74.7 -18.3 29 47 A M > - 0 0 34 -14,-1.8 4,-3.2 -2,-0.8 5,-0.3 -0.399 34.4 -89.5 -81.5 164.8 -32.3 -73.1 -15.0 30 48 A P H > S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 -15,-0.1 0.861 125.4 42.9 -40.5 -56.7 -31.8 -69.3 -14.7 31 49 A H H > S+ 0 0 5 -17,-0.4 4,-1.7 2,-0.2 3,-0.4 0.956 115.4 47.9 -60.0 -52.2 -28.1 -69.3 -15.6 32 50 A G H > S+ 0 0 0 -18,-1.5 4,-2.5 1,-0.2 3,-0.5 0.940 109.0 55.8 -53.3 -46.8 -28.4 -71.7 -18.5 33 51 A F H X S+ 0 0 96 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.870 103.9 53.7 -55.1 -39.1 -31.4 -69.8 -19.8 34 52 A M H X S+ 0 0 70 -4,-1.8 4,-2.5 -3,-0.4 -1,-0.2 0.880 109.2 47.5 -64.5 -37.6 -29.3 -66.6 -19.9 35 53 A I H X S+ 0 0 1 -4,-1.7 4,-2.8 -3,-0.5 -2,-0.2 0.936 112.9 48.5 -67.1 -45.8 -26.6 -68.3 -22.1 36 54 A R H X S+ 0 0 39 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 110.9 52.8 -57.8 -45.1 -29.3 -69.7 -24.4 37 55 A K H X S+ 0 0 107 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.941 111.4 43.8 -57.3 -52.9 -30.8 -66.3 -24.6 38 56 A N H X S+ 0 0 8 -4,-2.5 4,-2.0 236,-0.3 -1,-0.2 0.881 110.4 55.6 -63.7 -37.8 -27.5 -64.6 -25.6 39 57 A T H X S+ 0 0 5 -4,-2.8 4,-2.0 235,-0.2 -1,-0.2 0.939 109.8 47.1 -60.5 -43.2 -26.7 -67.4 -28.0 40 58 A L H X S+ 0 0 13 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.843 105.3 58.8 -67.9 -32.1 -30.1 -66.7 -29.7 41 59 A K H X S+ 0 0 99 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.952 108.3 46.5 -59.7 -46.2 -29.5 -63.0 -29.8 42 60 A I H X S+ 0 0 11 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.927 113.6 49.0 -59.2 -47.1 -26.4 -63.6 -31.8 43 61 A L H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.928 110.6 49.3 -60.9 -47.2 -28.2 -66.0 -34.1 44 62 A R H X S+ 0 0 68 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.827 100.3 63.1 -65.3 -32.7 -31.1 -63.7 -34.7 45 63 A R H < S+ 0 0 146 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.931 112.9 39.2 -56.2 -41.5 -29.0 -60.6 -35.6 46 64 A I H >< S+ 0 0 7 -4,-1.2 3,-1.6 -3,-0.3 4,-0.4 0.976 118.4 44.7 -70.9 -58.3 -27.8 -62.7 -38.5 47 65 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-0.9 0.832 104.4 63.3 -58.3 -35.9 -31.0 -64.4 -39.5 48 66 A D T 3< S+ 0 0 85 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.595 84.7 77.4 -70.1 -6.7 -33.1 -61.2 -39.2 49 67 A R T <4 S- 0 0 136 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.919 123.3 -2.8 -66.9 -40.8 -31.1 -59.5 -42.0 50 68 A D T <4 S+ 0 0 99 -3,-0.9 2,-0.3 -4,-0.4 -2,-0.2 0.281 118.9 80.7-135.9 9.5 -33.0 -61.5 -44.7 51 69 A H < - 0 0 10 -4,-1.7 2,-0.6 -5,-0.1 71,-0.2 -0.882 63.7-138.9-119.0 153.5 -35.3 -63.9 -42.9 52 70 A E E -b 122 0B 122 69,-3.0 71,-1.2 -2,-0.3 2,-0.1 -0.947 21.1-134.1-112.7 118.8 -38.8 -63.3 -41.4 53 71 A E E +b 123 0B 76 -2,-0.6 2,-0.2 69,-0.2 71,-0.2 -0.463 33.6 165.2 -72.7 141.0 -39.4 -64.9 -38.1 54 72 A V - 0 0 34 69,-2.1 71,-0.3 -2,-0.1 2,-0.2 -0.673 28.1-135.4-136.5-170.0 -42.8 -66.7 -37.7 55 73 A L - 0 0 132 -2,-0.2 69,-0.1 69,-0.1 -2,-0.0 -0.742 19.5-174.5-161.3 107.6 -44.3 -69.2 -35.3 56 74 A F - 0 0 21 -2,-0.2 48,-0.1 1,-0.2 47,-0.0 -0.520 35.1 -79.7 -99.7 168.8 -46.3 -72.2 -36.4 57 75 A P - 0 0 84 0, 0.0 -1,-0.2 0, 0.0 46,-0.0 -0.054 23.4-136.0 -63.3 166.9 -48.2 -74.8 -34.3 58 76 A L S S+ 0 0 53 38,-0.1 39,-2.2 45,-0.0 2,-0.3 0.799 80.6 75.0 -92.2 -36.0 -46.8 -77.7 -32.4 59 77 A L E -M 96 0C 71 37,-0.2 37,-0.2 38,-0.1 35,-0.0 -0.652 55.7-172.3 -91.4 136.9 -49.4 -80.3 -33.5 60 78 A V E -M 95 0C 2 35,-2.6 35,-4.4 -2,-0.3 2,-0.2 -0.988 20.4-130.2-126.7 132.0 -49.7 -82.0 -36.8 61 79 A P E >> -M 94 0C 20 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.512 24.7-115.8 -79.5 146.3 -52.5 -84.3 -37.9 62 80 A E H 3> S+ 0 0 82 31,-1.6 4,-2.7 1,-0.2 5,-0.2 0.902 113.7 64.9 -45.0 -50.0 -51.8 -87.7 -39.5 63 81 A D H 34 S+ 0 0 96 1,-0.2 -1,-0.2 30,-0.2 -3,-0.0 0.887 112.9 30.8 -38.6 -57.2 -53.4 -86.5 -42.7 64 82 A E H X4 S+ 0 0 38 -3,-0.7 3,-1.4 2,-0.1 -1,-0.2 0.914 119.3 53.3 -73.0 -46.4 -50.6 -83.9 -43.2 65 83 A L H >< S+ 0 0 10 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.952 111.5 43.1 -54.7 -57.5 -47.8 -85.7 -41.5 66 84 A A T 3< S+ 0 0 61 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 0.177 86.5 99.9 -78.2 19.6 -48.0 -88.9 -43.6 67 85 A K T < + 0 0 90 -3,-1.4 2,-0.3 -5,-0.2 -1,-0.2 0.648 69.8 74.3 -80.4 -14.5 -48.6 -86.9 -46.7 68 86 A E S <> S- 0 0 18 -3,-1.0 4,-0.6 -4,-0.2 5,-0.2 -0.775 73.3-142.5-101.6 145.5 -44.9 -87.4 -47.7 69 87 A A H > S+ 0 0 79 -2,-0.3 4,-1.0 2,-0.1 -1,-0.2 0.999 94.4 12.0 -65.8 -74.3 -43.4 -90.6 -49.1 70 88 A I H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.851 122.3 63.2 -76.2 -37.0 -39.9 -90.8 -47.6 71 89 A H H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.928 106.6 44.8 -53.9 -50.1 -40.3 -88.0 -45.0 72 90 A V H < S+ 0 0 15 -4,-0.6 4,-0.3 1,-0.2 3,-0.2 0.863 112.0 52.6 -63.0 -37.4 -43.0 -89.9 -43.1 73 91 A K H >< S+ 0 0 158 -4,-1.0 3,-0.5 1,-0.2 4,-0.3 0.833 105.4 57.6 -66.3 -33.2 -41.0 -93.1 -43.3 74 92 A G H 3< S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 118.5 27.8 -68.3 -32.5 -38.1 -91.3 -41.8 75 93 A F T >X S+ 0 0 13 -4,-1.2 3,-1.7 -3,-0.2 4,-0.6 0.144 84.7 128.0-115.1 17.3 -39.9 -90.2 -38.7 76 94 A E T <4 S+ 0 0 105 -3,-0.5 3,-0.5 -4,-0.3 -2,-0.1 0.876 88.2 12.9 -35.7 -70.9 -42.4 -93.2 -38.6 77 95 A D T 34 S+ 0 0 133 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 -0.028 114.3 79.0-103.8 28.7 -41.8 -94.3 -35.0 78 96 A E T <4 S+ 0 0 57 -3,-1.7 53,-2.8 52,-0.1 2,-0.4 0.326 76.7 93.7-112.6 3.2 -39.9 -91.3 -33.9 79 97 A V < - 0 0 10 -4,-0.6 2,-0.3 -3,-0.5 51,-0.1 -0.794 68.9-137.3-102.7 136.8 -43.1 -89.3 -33.5 80 98 A Y - 0 0 57 -2,-0.4 16,-2.0 16,-0.3 2,-0.5 -0.733 23.9-148.3 -88.2 139.8 -45.1 -88.8 -30.3 81 99 A W E -N 95 0C 88 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.932 11.7-154.7-118.2 129.6 -48.8 -89.0 -30.8 82 100 A V E +N 94 0C 42 12,-3.9 12,-2.4 -2,-0.5 3,-0.1 -0.855 23.6 164.6 -94.6 129.5 -51.6 -87.3 -28.9 83 101 A T E + 0 0 43 -2,-0.5 7,-3.1 10,-0.2 2,-0.4 0.625 52.4 55.4-118.3 -24.6 -54.7 -89.4 -29.2 84 102 A H E -N 89 0C 103 5,-0.3 2,-0.7 7,-0.1 5,-0.3 -0.914 53.2-158.9-121.2 144.5 -57.1 -88.1 -26.5 85 103 A G E > S-N 88 0C 37 3,-3.0 3,-0.9 -2,-0.4 2,-0.5 -0.854 80.2 -46.9-114.5 88.0 -58.6 -84.7 -25.8 86 104 A G T 3 S- 0 0 72 -2,-0.7 -2,-0.0 1,-0.2 0, 0.0 -0.743 120.9 -24.8 86.4-128.7 -59.5 -85.1 -22.2 87 105 A L T 3 S+ 0 0 182 -2,-0.5 -1,-0.2 -3,-0.1 2,-0.2 0.749 124.2 84.4 -89.5 -25.7 -61.4 -88.4 -21.7 88 106 A S E < S- N 0 85C 82 -3,-0.9 -3,-3.0 1,-0.1 2,-0.4 -0.553 81.7-120.5 -83.0 140.3 -62.5 -88.6 -25.3 89 107 A K E - N 0 84C 145 -5,-0.3 -5,-0.3 -2,-0.2 -1,-0.1 -0.628 31.4-114.3 -80.1 129.6 -60.4 -90.0 -28.1 90 108 A L E - 0 0 53 -7,-3.1 3,-0.1 -2,-0.4 -1,-0.1 -0.337 11.8-136.2 -62.7 140.4 -59.6 -87.6 -30.9 91 109 A Q E S+ 0 0 209 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.302 96.5 39.7 -81.5 14.0 -61.1 -88.5 -34.2 92 110 A R E S- 0 0 126 -9,-0.2 -1,-0.2 -30,-0.0 -2,-0.1 -0.785 89.7-124.1-164.2 110.2 -57.8 -87.6 -35.7 93 111 A K E - 0 0 85 -2,-0.2 -31,-1.6 -3,-0.1 2,-0.4 -0.243 23.5-151.0 -57.1 144.3 -54.4 -88.4 -34.2 94 112 A L E -MN 61 82C 44 -12,-2.4 -12,-3.9 -33,-0.2 2,-0.4 -0.982 4.6-152.1-123.8 130.2 -52.1 -85.4 -33.7 95 113 A A E -MN 60 81C 0 -35,-4.4 -35,-2.6 -2,-0.4 2,-0.3 -0.807 19.4-120.8-103.2 139.6 -48.3 -85.7 -33.7 96 114 A L E -M 59 0C 29 -16,-2.0 -16,-0.3 -2,-0.4 -37,-0.2 -0.578 49.4 -95.9 -72.0 136.6 -45.9 -83.4 -31.9 97 115 A R - 0 0 12 -39,-2.2 32,-2.8 -2,-0.3 3,-0.2 -0.301 36.8-176.3 -59.9 133.2 -43.7 -81.8 -34.5 98 116 A P S S- 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.670 86.5 -20.5 -94.3 -29.3 -40.4 -83.6 -35.1 99 117 A T S S- 0 0 0 -3,-0.1 3,-0.3 29,-0.1 4,-0.1 -0.873 77.6-112.2-169.0 161.6 -39.6 -80.8 -37.5 100 118 A S S >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-1.3 0.269 77.3 108.3-101.3 16.9 -42.1 -78.6 -39.2 101 119 A E H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.945 88.9 45.0 -53.2 -51.6 -42.2 -79.3 -42.9 102 120 A T H 34 S+ 0 0 1 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.584 115.2 50.8 -70.2 -8.2 -45.6 -81.0 -42.7 103 121 A V H <4 S+ 0 0 14 -3,-1.3 4,-0.4 2,-0.1 -2,-0.2 0.868 120.5 28.0 -93.0 -45.9 -46.8 -78.1 -40.5 104 122 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.1 5,-0.2 0.789 108.0 68.4 -87.3 -33.7 -45.7 -75.1 -42.6 105 123 A Y H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.4 -3,-0.1 0.902 96.7 51.0 -60.7 -43.1 -45.8 -76.5 -46.2 106 124 A P H > S+ 0 0 28 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.913 114.2 48.4 -61.3 -31.7 -49.5 -77.0 -46.5 107 125 A M H >> S+ 0 0 73 -4,-0.4 4,-2.0 1,-0.2 3,-0.6 0.810 105.1 57.8 -72.5 -31.5 -49.7 -73.4 -45.3 108 126 A F H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 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