==== 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-FEB-06 2G70 . COMPND 2 MOLECULE: PHENYLETHANOLAMINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.A.TYNDALL,C.L.GEE,J.L.MARTIN . 528 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.6 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 0 2 1 1 8 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 2 2 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 0 0 2 0 0 0 2 2 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 2 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 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 20 A Q > 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -0.0 29.4 51.9 36.0 2 21 A A H > + 0 0 86 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.970 360.0 44.2 -58.5 -53.3 32.8 52.9 37.1 3 22 A A H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.890 112.0 54.9 -57.1 -45.4 34.3 49.8 35.5 4 23 A V H >> S+ 0 0 24 1,-0.2 3,-1.8 2,-0.2 4,-1.7 0.979 109.7 42.0 -53.8 -68.2 32.3 50.3 32.3 5 24 A A H 3< S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.776 113.6 57.9 -52.2 -26.8 33.3 53.9 31.6 6 25 A S H 3< S+ 0 0 83 -4,-1.5 3,-0.4 -5,-0.3 -1,-0.3 0.771 103.9 50.0 -76.4 -27.5 36.8 52.7 32.5 7 26 A A H X< S+ 0 0 32 -3,-1.8 3,-1.8 -4,-1.4 4,-0.3 0.887 101.5 60.8 -78.6 -39.3 36.9 50.0 29.9 8 27 A Y T 3< S+ 0 0 6 -4,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.503 82.7 83.5 -67.1 -2.0 35.8 52.2 27.0 9 28 A Q T 3 S+ 0 0 141 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.723 97.0 41.5 -73.2 -18.9 38.9 54.4 27.5 10 29 A R S < S+ 0 0 172 -3,-1.8 198,-0.6 -4,-0.1 197,-0.6 0.514 85.1 129.2-103.0 -7.8 40.7 51.8 25.4 11 30 A F B -A 206 0A 7 -4,-0.3 195,-0.1 -3,-0.2 75,-0.1 -0.245 45.5-155.1 -51.6 123.6 37.9 51.4 22.8 12 31 A E > - 0 0 69 193,-1.3 4,-1.9 1,-0.2 3,-0.3 -0.915 8.1-155.7-110.1 117.1 39.3 51.9 19.3 13 32 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.948 90.5 52.6 -53.4 -60.1 36.9 53.0 16.6 14 33 A R H > S+ 0 0 182 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.802 111.7 47.6 -47.6 -37.7 38.8 51.6 13.5 15 34 A A H > S+ 0 0 18 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.892 110.0 51.8 -72.9 -41.4 39.0 48.1 15.1 16 35 A Y H X S+ 0 0 7 -4,-1.9 4,-1.7 -3,-0.3 5,-0.3 0.920 112.1 46.8 -60.6 -43.8 35.3 48.1 16.0 17 36 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.907 112.5 49.5 -64.1 -43.6 34.4 49.1 12.5 18 37 A R H < S+ 0 0 181 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.809 112.9 49.3 -65.1 -30.1 36.7 46.4 11.1 19 38 A N H < S+ 0 0 31 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.771 127.5 18.1 -82.2 -28.1 35.1 43.8 13.5 20 39 A N H < S+ 0 0 22 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.525 129.3 38.4-122.2 -11.8 31.5 44.5 12.8 21 40 A Y S < S+ 0 0 7 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.225 99.2 71.9-130.8 19.2 31.2 46.3 9.5 22 41 A A S > S- 0 0 28 -4,-0.4 4,-2.4 -5,-0.1 5,-0.3 -0.786 94.4 -27.8-120.2 166.8 33.8 44.8 7.2 23 42 A P T 4 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.252 121.9 23.2 -59.6 149.3 33.4 41.3 5.8 24 43 A P T >4 S+ 0 0 65 0, 0.0 3,-2.0 0, 0.0 219,-0.1 -0.919 140.4 27.5 -77.0 -33.4 32.0 38.9 6.7 25 44 A R T 34 S+ 0 0 15 1,-0.3 10,-0.4 -3,-0.3 -5,-0.1 0.793 124.4 54.5 -57.6 -25.9 29.5 40.8 8.9 26 45 A G T 3< S+ 0 0 6 -4,-2.4 2,-0.5 -8,-0.1 -1,-0.3 0.169 81.7 109.0 -95.8 19.5 30.0 43.8 6.6 27 46 A D < - 0 0 63 -3,-2.0 8,-0.4 -5,-0.3 3,-0.1 -0.852 41.1-179.6 -95.9 128.8 29.1 41.9 3.4 28 47 A L + 0 0 13 -2,-0.5 -1,-0.1 1,-0.1 5,-0.1 0.399 63.1 85.5-108.5 2.7 25.7 42.9 2.0 29 48 A a S S+ 0 0 20 356,-0.1 357,-0.3 3,-0.0 -1,-0.1 0.830 76.9 75.4 -71.4 -32.7 25.5 40.7 -1.0 30 49 A N S > S- 0 0 54 1,-0.1 3,-1.6 -3,-0.1 -1,-0.0 -0.742 73.2-152.2 -84.3 119.8 24.1 37.8 1.1 31 50 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.768 95.0 55.4 -60.6 -30.3 20.4 38.5 1.9 32 51 A N T 3 S+ 0 0 117 4,-0.1 -2,-0.0 5,-0.0 -3,-0.0 0.432 84.3 116.8 -85.6 1.5 20.6 36.5 5.0 33 52 A G S <> S- 0 0 4 -3,-1.6 4,-1.7 1,-0.1 5,-0.1 -0.259 77.4-116.9 -67.2 158.0 23.5 38.5 6.3 34 53 A V H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.808 110.7 57.3 -67.7 -30.2 23.0 40.6 9.5 35 54 A G H > S+ 0 0 0 -10,-0.4 4,-2.7 -8,-0.4 5,-0.3 0.955 107.1 45.6 -66.7 -50.8 23.6 43.9 7.7 36 55 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.925 112.0 54.9 -57.6 -40.9 20.7 43.4 5.2 37 56 A W H X S+ 0 0 29 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 109.8 44.8 -58.0 -49.0 18.5 42.3 8.0 38 57 A K H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.951 115.1 47.1 -62.0 -48.9 19.2 45.4 10.0 39 58 A L H X S+ 0 0 4 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.894 110.8 53.1 -60.9 -38.6 18.7 47.8 7.0 40 59 A R H X S+ 0 0 67 -4,-3.1 4,-2.8 -5,-0.3 5,-0.3 0.883 107.5 53.1 -61.7 -39.4 15.5 45.9 6.1 41 60 A C H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.951 114.6 38.3 -62.2 -50.3 14.2 46.5 9.6 42 61 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.946 118.1 49.9 -67.4 -47.0 14.8 50.2 9.6 43 62 A A H X S+ 0 0 5 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.960 112.2 47.3 -54.3 -57.5 13.7 50.5 5.9 44 63 A Q H X S+ 0 0 82 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.918 111.8 50.1 -51.3 -50.8 10.5 48.5 6.5 45 64 A T H >< S+ 0 0 4 -4,-2.2 3,-2.0 -5,-0.3 5,-0.5 0.973 115.6 40.7 -55.4 -59.2 9.5 50.4 9.6 46 65 A F H >< S+ 0 0 3 -4,-2.4 3,-2.3 1,-0.3 5,-0.3 0.810 103.6 71.4 -59.0 -28.5 10.0 53.9 8.1 47 66 A A H 3< S+ 0 0 79 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.756 86.1 65.5 -59.9 -23.7 8.3 52.5 4.9 48 67 A T T << S- 0 0 75 -3,-2.0 -1,-0.3 -4,-0.8 -2,-0.2 0.695 98.0-142.9 -71.2 -17.1 5.0 52.5 6.9 49 68 A G S < S+ 0 0 44 -3,-2.3 -3,-0.1 -4,-0.3 -2,-0.1 0.493 71.3 115.0 68.1 1.4 5.4 56.2 7.0 50 69 A E + 0 0 91 -5,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.073 59.4 70.6 -91.0 24.3 3.9 56.1 10.5 51 70 A V S S+ 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.868 70.8 141.1-139.8 99.3 7.1 57.4 12.1 52 71 A S + 0 0 72 -2,-0.4 2,-0.3 105,-0.1 23,-0.1 -0.967 9.1 105.2-145.1 159.2 7.6 61.0 11.2 53 72 A G E -b 75 0B 31 21,-1.2 23,-0.5 -2,-0.3 3,-0.1 -0.999 58.8 -76.6 167.8-166.4 8.7 64.4 12.5 54 73 A R E S+ 0 0 138 -2,-0.3 23,-3.1 1,-0.2 2,-0.3 0.918 98.1 29.9 -91.1 -67.0 11.1 67.3 12.8 55 74 A T E -b 77 0B 3 21,-0.2 102,-1.6 20,-0.1 103,-0.7 -0.750 59.1-175.2-105.4 150.8 14.0 66.3 15.1 56 75 A L E -bc 78 158B 0 21,-3.3 23,-4.2 -2,-0.3 2,-0.4 -0.999 9.2-154.8-143.7 138.6 15.6 62.9 15.8 57 76 A I E -bc 79 159B 0 101,-2.1 103,-2.6 -2,-0.3 2,-0.7 -0.962 6.6-150.4-120.4 134.0 18.3 61.8 18.2 58 77 A D E -bc 80 160B 0 21,-3.7 23,-1.1 -2,-0.4 2,-0.5 -0.899 18.1-148.4-101.4 112.4 20.6 58.8 17.8 59 78 A I E S- c 0 161B 0 101,-2.2 103,-0.6 -2,-0.7 106,-0.1 -0.719 73.7 -2.0 -86.2 127.1 21.6 57.5 21.2 60 79 A G S S+ 0 0 1 -2,-0.5 102,-0.6 101,-0.1 -1,-0.2 0.991 73.3 171.6 57.2 76.9 25.0 55.9 21.4 61 80 A S > - 0 0 0 20,-3.5 3,-1.4 -3,-0.3 21,-0.2 0.806 8.0-178.4 -86.0 -36.0 26.1 56.3 17.8 62 81 A G T 3 - 0 0 0 19,-0.5 -1,-0.2 1,-0.2 29,-0.2 -0.356 66.1 -38.6 64.2-148.9 29.7 55.2 18.1 63 82 A P T 3 S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.282 113.6 100.5 -94.1 14.9 31.5 55.4 14.7 64 83 A T < + 0 0 0 -3,-1.4 27,-0.0 1,-0.1 -47,-0.0 -0.723 35.3 170.0-105.2 151.2 28.6 54.2 12.7 65 84 A V > + 0 0 0 -2,-0.3 3,-3.4 2,-0.1 4,-0.4 0.547 58.5 97.2-125.1 -21.8 26.0 55.9 10.5 66 85 A Y G > S+ 0 0 1 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.794 75.3 69.3 -39.5 -37.9 24.3 53.0 8.8 67 86 A Q G 3 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.529 103.5 42.5 -63.9 -4.4 21.6 53.1 11.4 68 87 A L G <> S+ 0 0 0 -3,-3.4 4,-3.3 2,-0.1 -1,-0.3 0.397 80.5 100.4-121.6 -0.0 20.3 56.4 10.0 69 88 A L T <4 S+ 0 0 0 -3,-1.5 -2,-0.1 -4,-0.4 -3,-0.1 0.813 96.0 31.9 -56.7 -35.4 20.5 55.8 6.2 70 89 A S T >4 S+ 0 0 5 -4,-0.4 3,-1.2 2,-0.1 -1,-0.2 0.876 121.3 48.8 -88.3 -45.8 16.7 55.1 6.1 71 90 A A G >> S+ 0 0 1 1,-0.3 3,-3.4 -4,-0.2 4,-0.7 0.897 91.6 77.6 -61.9 -42.4 15.6 57.5 8.8 72 91 A C G 3< S+ 0 0 0 -4,-3.3 -1,-0.3 1,-0.3 -3,-0.1 0.569 89.2 60.8 -48.4 -6.7 17.6 60.4 7.5 73 92 A S G <4 S+ 0 0 28 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.1 0.284 105.8 44.3-104.9 10.6 14.8 60.8 4.9 74 93 A H T <4 S+ 0 0 47 -3,-3.4 -21,-1.2 1,-0.2 2,-0.4 0.380 108.0 57.6-129.4 -2.4 12.1 61.4 7.4 75 94 A F E < -b 53 0B 0 -4,-0.7 -1,-0.2 -23,-0.1 -21,-0.2 -0.942 50.7-170.6-139.5 116.3 13.7 63.9 9.9 76 95 A E E S+ 0 0 106 -23,-0.5 2,-0.8 -2,-0.4 -21,-0.2 0.867 83.4 54.7 -69.3 -40.4 15.3 67.2 9.0 77 96 A D E S+b 55 0B 19 -23,-3.1 -21,-3.3 -24,-0.1 2,-0.5 -0.844 71.3 176.9-101.5 104.0 16.9 67.7 12.4 78 97 A I E -bd 56 132B 0 53,-2.8 55,-1.2 -2,-0.8 56,-0.7 -0.923 12.2-164.4-113.6 126.4 19.1 64.8 13.3 79 98 A T E -bd 57 134B 0 -23,-4.2 -21,-3.7 -2,-0.5 2,-0.3 -0.926 5.7-165.8-111.0 115.2 21.2 64.7 16.5 80 99 A M E -bd 58 135B 0 54,-2.1 56,-1.9 -2,-0.6 2,-0.3 -0.790 13.3-177.5 -99.8 143.8 24.0 62.1 16.7 81 100 A T E + d 0 136B 0 -23,-1.1 -20,-3.5 -2,-0.3 -19,-0.5 -0.928 15.4 162.6-141.1 163.5 25.6 61.3 20.0 82 101 A D - 0 0 0 54,-1.6 56,-0.2 -2,-0.3 6,-0.1 -0.871 38.2-124.9-178.1 146.0 28.3 59.2 21.8 83 102 A F S S+ 0 0 69 -2,-0.2 2,-0.5 54,-0.2 3,-0.1 0.692 90.5 66.6 -67.6 -25.5 30.3 59.0 25.1 84 103 A L >> - 0 0 11 1,-0.2 4,-2.0 53,-0.0 3,-1.3 -0.895 65.3-150.3-111.8 127.8 33.8 59.1 23.5 85 104 A E H 3> S+ 0 0 129 -2,-0.5 4,-2.2 1,-0.3 5,-0.3 0.911 100.5 65.8 -52.2 -42.7 35.3 62.0 21.7 86 105 A V H 3> S+ 0 0 61 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.835 105.1 42.3 -49.3 -38.5 37.2 59.4 19.7 87 106 A N H <> S+ 0 0 0 -3,-1.3 4,-3.2 2,-0.2 -1,-0.3 0.884 112.2 53.2 -76.7 -39.3 33.9 58.2 18.2 88 107 A R H X S+ 0 0 37 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.738 109.1 51.4 -67.1 -21.0 32.7 61.7 17.7 89 108 A Q H X S+ 0 0 98 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.897 110.8 46.4 -81.2 -41.5 35.9 62.4 15.8 90 109 A E H X S+ 0 0 8 -4,-1.6 4,-1.3 -5,-0.3 12,-0.2 0.951 113.8 48.9 -63.0 -49.4 35.5 59.3 13.6 91 110 A L H >X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 3,-1.4 0.963 113.4 47.1 -52.2 -55.2 31.8 60.2 12.9 92 111 A G H 3X S+ 0 0 9 -4,-1.8 4,-3.0 1,-0.3 6,-0.3 0.891 103.9 61.8 -53.9 -42.4 32.9 63.8 12.1 93 112 A R H 3<>S+ 0 0 59 -4,-2.8 5,-2.1 1,-0.2 -1,-0.3 0.804 111.8 39.2 -55.6 -29.8 35.6 62.4 9.9 94 113 A W H X<5S+ 0 0 8 -3,-1.4 3,-1.3 -4,-1.3 -2,-0.2 0.882 114.9 51.6 -86.3 -43.7 32.8 60.8 7.8 95 114 A L H 3<5S+ 0 0 16 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.944 113.9 41.9 -58.9 -51.5 30.4 63.7 8.0 96 115 A Q T 3<5S- 0 0 123 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 0.261 111.8-121.5 -82.0 14.7 32.9 66.4 6.9 97 116 A E T < 5 + 0 0 135 -3,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.865 54.0 166.8 46.5 47.2 34.2 63.9 4.2 98 117 A E > < - 0 0 93 -5,-2.1 3,-0.9 -6,-0.3 2,-0.2 -0.185 43.5 -76.2 -82.8 175.8 37.7 64.1 5.7 99 118 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.532 116.1 28.8 -75.1 141.6 40.7 61.8 4.9 100 119 A G T 3 S+ 0 0 52 1,-0.3 2,-0.2 -2,-0.2 -6,-0.1 0.681 82.0 157.1 84.3 17.8 40.5 58.4 6.6 101 120 A A < - 0 0 35 -3,-0.9 -1,-0.3 -8,-0.2 -7,-0.1 -0.560 48.5-107.3 -76.9 140.9 36.7 58.3 6.7 102 121 A F - 0 0 49 -2,-0.2 2,-0.9 -12,-0.2 -1,-0.1 -0.293 31.7-115.6 -63.0 153.4 35.2 54.8 6.9 103 122 A N + 0 0 98 1,-0.1 3,-0.4 -3,-0.1 4,-0.1 -0.788 42.8 162.9-100.4 97.7 33.6 53.6 3.7 104 123 A W >> + 0 0 1 -2,-0.9 4,-1.8 1,-0.2 3,-0.7 0.303 42.8 109.3 -91.6 5.5 29.8 53.1 4.3 105 124 A S H 3> S+ 0 0 9 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.798 71.8 58.5 -55.0 -35.1 28.9 53.1 0.6 106 125 A M H 3> S+ 0 0 66 -3,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.931 111.4 43.6 -60.4 -42.6 28.1 49.3 0.6 107 126 A Y H <> S+ 0 0 3 -3,-0.7 4,-1.3 2,-0.2 -2,-0.2 0.794 112.9 51.3 -71.6 -31.3 25.5 50.1 3.3 108 127 A S H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.929 110.3 49.8 -70.4 -46.6 24.3 53.2 1.5 109 128 A Q H X S+ 0 0 26 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.920 110.8 49.0 -57.4 -46.2 23.8 51.2 -1.7 110 129 A H H X S+ 0 0 17 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.807 109.6 52.3 -67.6 -28.9 21.9 48.5 0.0 111 130 A A H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.920 110.5 46.8 -72.4 -42.8 19.6 51.1 1.7 112 131 A C H X>S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 5,-0.5 0.901 112.2 52.6 -63.7 -39.2 18.8 52.7 -1.6 113 132 A L H <5S+ 0 0 22 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.946 112.5 43.9 -59.6 -50.6 18.2 49.2 -3.0 114 133 A I H <5S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.3 51.6 -64.4 -43.3 15.8 48.3 -0.2 115 134 A E H <5S- 0 0 34 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.836 91.3-154.0 -66.3 -31.2 13.8 51.6 -0.2 116 135 A G T <5 + 0 0 52 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.818 51.1 128.8 62.8 35.6 13.3 51.3 -3.9 117 136 A K S - 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