==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/HYDROLASE 11-OCT-10 3P71 . COMPND 2 MOLECULE: LEUCINE CARBOXYL METHYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XING,V.STANEVICH,K.A.SATYSHUR,L JIANG . 618 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 42 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 3 1 3 2 1 1 2 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 1 3 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 PARALLEL BRIDGES PER LADDER . 2 0 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 1 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 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 T D > 0 0 174 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -61.0 8.5 1.1 -9.2 2 21 T E T 3 + 0 0 196 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.703 360.0 45.9 -49.5 -28.6 9.6 3.8 -11.6 3 22 T N T 3> S+ 0 0 38 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.573 89.2 86.9 -92.5 -12.0 6.1 4.5 -12.9 4 23 T D H <> S+ 0 0 14 -3,-2.3 4,-2.5 1,-0.2 5,-0.2 0.839 85.1 51.6 -66.1 -40.3 4.3 4.5 -9.5 5 24 T E H > S+ 0 0 153 -4,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.936 113.1 47.3 -57.8 -47.7 4.8 8.2 -8.7 6 25 T G H 4 S+ 0 0 7 224,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.879 111.7 49.2 -62.8 -42.4 3.4 9.2 -12.1 7 26 T V H >< S+ 0 0 18 -4,-2.3 3,-1.3 223,-0.2 4,-0.4 0.908 110.1 51.7 -62.5 -43.8 0.4 6.8 -11.8 8 27 T R H >X S+ 0 0 61 -4,-2.5 3,-1.0 1,-0.3 4,-0.5 0.807 100.6 64.2 -61.9 -31.8 -0.3 8.3 -8.3 9 28 T G H 3X S+ 0 0 31 -4,-1.6 4,-1.0 1,-0.2 3,-0.4 0.696 88.2 69.5 -63.7 -21.4 -0.3 11.7 -9.8 10 29 T T H <> S+ 0 0 10 -3,-1.3 4,-2.4 -4,-0.5 -1,-0.2 0.748 87.0 65.2 -72.4 -25.7 -3.3 10.9 -12.0 11 30 T C H <> S+ 0 0 18 -3,-1.0 4,-2.1 -4,-0.4 71,-0.2 0.881 100.3 51.3 -61.8 -39.9 -5.6 10.8 -8.9 12 31 T E H X S+ 0 0 85 -4,-0.5 4,-2.1 -3,-0.4 -1,-0.2 0.870 109.8 51.7 -63.6 -36.3 -4.9 14.6 -8.5 13 32 T D H X S+ 0 0 15 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.961 111.9 42.2 -65.8 -53.5 -5.9 15.1 -12.1 14 33 T A H X S+ 0 0 9 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.886 114.1 53.2 -62.1 -41.0 -9.2 13.3 -12.0 15 34 T S H X S+ 0 0 7 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.930 109.7 47.7 -58.9 -48.8 -10.1 14.9 -8.6 16 35 T L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 23,-0.3 0.905 114.9 46.2 -59.1 -44.7 -9.4 18.4 -10.0 17 36 T C H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.924 112.1 49.5 -66.3 -46.6 -11.5 17.7 -13.1 18 37 T K H X S+ 0 0 33 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.921 112.2 48.0 -60.3 -44.9 -14.4 16.1 -11.1 19 38 T R H X S+ 0 0 50 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.918 109.6 53.5 -62.2 -42.4 -14.6 19.0 -8.7 20 39 T F H X S+ 0 0 13 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.918 109.0 46.8 -61.4 -45.2 -14.5 21.6 -11.4 21 40 T A H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.3 0.913 113.1 51.5 -60.4 -42.4 -17.4 20.1 -13.3 22 41 T V H ><5S+ 0 0 24 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.908 105.0 56.0 -59.6 -43.0 -19.3 19.9 -10.0 23 42 T S H 3<5S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.4 44.4 -63.3 -30.0 -18.6 23.6 -9.3 24 43 T I T 3<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.310 126.5-100.7-100.4 6.5 -20.2 24.6 -12.5 25 44 T G T < 5S+ 0 0 33 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.659 77.0 133.9 95.4 22.9 -23.1 22.2 -12.0 26 45 T Y S S+ 0 0 30 2,-0.1 3,-1.8 1,-0.1 4,-0.3 0.723 82.8 73.6-108.4 -27.6 -18.0 16.3 -0.4 32 51 T I G >> S+ 0 0 6 -3,-0.4 3,-1.8 1,-0.3 4,-1.6 0.768 84.3 72.0 -62.7 -24.6 -15.3 16.5 -3.0 33 52 T Q G 34 S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.679 93.0 57.1 -63.6 -19.6 -14.4 20.1 -1.8 34 53 T H G <4 S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.564 111.5 42.1 -86.7 -10.3 -12.9 18.5 1.3 35 54 T F T <4 S+ 0 0 22 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.682 120.0 20.6-108.6 -25.9 -10.6 16.4 -0.8 36 55 T V S < S- 0 0 16 -4,-1.6 -1,-0.3 -21,-0.1 -24,-0.0 -0.993 76.4-103.3-150.8 150.7 -9.3 18.7 -3.5 37 56 T R - 0 0 139 -2,-0.3 2,-0.9 1,-0.1 -18,-0.1 -0.231 40.6-102.2 -69.4 158.9 -8.8 22.4 -4.3 38 57 T L - 0 0 76 -5,-0.1 -1,-0.1 -19,-0.1 -22,-0.1 -0.794 39.4-125.6 -86.1 109.4 -11.1 24.3 -6.7 39 58 T S - 0 0 17 -2,-0.9 4,-0.1 -23,-0.3 -1,-0.0 -0.294 15.9-159.5 -53.8 128.2 -9.1 24.7 -10.0 40 59 T K S S+ 0 0 196 2,-0.1 2,-0.5 406,-0.0 -1,-0.1 0.690 76.1 69.1 -88.9 -19.8 -8.9 28.3 -10.9 41 60 T E S S- 0 0 78 1,-0.1 -2,-0.0 406,-0.0 -1,-0.0 -0.875 93.1-113.7 -99.2 130.3 -8.2 27.5 -14.6 42 61 T R - 0 0 77 -2,-0.5 2,-0.4 398,-0.2 -2,-0.1 -0.145 13.8-132.9 -61.0 150.3 -11.1 26.0 -16.5 43 62 T K - 0 0 27 -26,-0.1 5,-0.1 -4,-0.1 -1,-0.1 -0.870 41.9 -98.4 -94.4 141.6 -11.3 22.5 -17.9 44 63 T A >> - 0 0 18 -2,-0.4 4,-1.7 1,-0.1 3,-1.5 -0.237 32.4-107.9 -63.8 148.7 -12.6 22.5 -21.5 45 64 T P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.782 118.3 54.8 -45.3 -38.0 -16.3 21.7 -22.1 46 65 T E H 3> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.805 106.4 51.8 -70.9 -29.1 -15.5 18.3 -23.6 47 66 T I H <> S+ 0 0 0 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.925 112.9 44.8 -67.8 -45.6 -13.5 17.3 -20.5 48 67 T N H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.892 116.0 45.5 -66.9 -42.2 -16.4 18.3 -18.2 49 68 T R H X S+ 0 0 9 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.911 114.1 51.5 -63.9 -43.8 -19.0 16.6 -20.4 50 69 T G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.878 110.8 46.0 -59.0 -43.8 -16.7 13.6 -20.6 51 70 T Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.857 110.7 55.7 -70.2 -33.8 -16.3 13.4 -16.9 52 71 T F H X S+ 0 0 5 -4,-1.9 4,-3.4 2,-0.2 5,-0.3 0.967 107.8 45.4 -59.3 -57.0 -20.1 13.8 -16.5 53 72 T A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.885 113.3 52.4 -56.6 -41.1 -21.0 10.8 -18.7 54 73 T R H X S+ 0 0 5 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.927 114.3 41.6 -57.3 -49.0 -18.3 8.8 -16.9 55 74 T V H X S+ 0 0 19 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.980 117.3 46.5 -65.9 -56.1 -19.7 9.6 -13.5 56 75 T H H X S+ 0 0 34 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.910 111.5 55.5 -47.8 -50.0 -23.4 9.2 -14.6 57 76 T G H X S+ 0 0 0 -4,-3.3 4,-1.3 -5,-0.3 -2,-0.2 0.944 114.1 35.8 -48.5 -62.4 -22.4 5.9 -16.3 58 77 T V H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.890 114.2 59.4 -62.9 -40.7 -20.9 4.3 -13.2 59 78 T S H X S+ 0 0 29 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.891 104.5 49.4 -55.5 -43.6 -23.5 5.9 -10.9 60 79 T Q H X S+ 0 0 65 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.840 111.5 48.5 -68.4 -33.4 -26.4 4.2 -12.8 61 80 T L H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.2 0.852 110.7 50.9 -73.7 -36.9 -24.7 0.8 -12.6 62 81 T I H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.944 110.3 49.6 -62.8 -47.7 -24.1 1.2 -8.9 63 82 T K H X S+ 0 0 78 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 110.0 51.0 -58.1 -43.0 -27.7 2.1 -8.3 64 83 T A H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.884 109.6 49.6 -64.2 -41.3 -28.9 -0.9 -10.3 65 84 T F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.948 113.3 45.9 -61.3 -51.3 -26.7 -3.3 -8.3 66 85 T L H X>S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 4,-0.8 0.871 111.8 52.7 -56.8 -43.1 -27.9 -1.9 -5.0 67 86 T R H ><5S+ 0 0 206 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.958 111.6 45.5 -57.1 -52.4 -31.5 -2.0 -6.2 68 87 T K H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 119.2 40.4 -67.3 -27.6 -31.2 -5.7 -7.2 69 88 T T H ><5S- 0 0 9 -4,-1.8 3,-1.7 -5,-0.1 -1,-0.3 0.423 105.2-126.0 -98.7 -1.2 -29.5 -6.7 -3.9 70 89 T E T <<5 - 0 0 174 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.851 66.1 -65.7 53.6 38.7 -31.8 -4.4 -1.7 71 90 T C T 3 -ab 101 177A 4 23,-2.8 25,-2.0 -2,-0.6 3,-0.7 -0.706 12.7-152.3 -80.8 112.4 -13.9 0.5 -5.0 78 97 T L E 3 S+ab 102 178A 0 99,-3.1 101,-0.5 -2,-0.7 25,-0.1 -0.764 79.4 2.6 -93.9 124.3 -10.5 -0.4 -6.5 79 98 T G T 3 S+ 0 0 15 23,-1.2 -1,-0.3 -2,-0.5 24,-0.2 0.966 84.9 174.7 61.0 55.1 -8.1 2.5 -7.0 80 99 T A X - 0 0 14 22,-2.2 3,-0.6 -3,-0.7 23,-0.1 0.767 5.1-178.6 -67.1 -31.1 -10.8 4.7 -5.4 81 100 T G T 3 - 0 0 10 21,-0.3 -1,-0.2 1,-0.2 2,-0.1 -0.415 68.9 -18.5 64.3-137.8 -8.8 7.9 -5.3 82 101 T M T 3 S+ 0 0 18 -71,-0.2 -1,-0.2 -2,-0.1 -47,-0.1 -0.152 90.4 164.9 -92.4 39.0 -10.7 10.8 -3.7 83 102 T D < - 0 0 12 -3,-0.6 3,-0.2 1,-0.1 -2,-0.1 -0.318 24.9-171.3 -63.9 134.5 -14.1 9.0 -4.3 84 103 T T >> + 0 0 3 1,-0.1 4,-1.6 2,-0.1 3,-0.6 0.300 49.6 115.9-109.7 6.1 -17.0 10.4 -2.3 85 104 T T H 3> + 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.796 68.8 61.6 -52.7 -38.6 -19.5 7.7 -3.1 86 105 T F H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.953 108.8 40.8 -51.3 -56.6 -19.8 6.6 0.6 87 106 T W H <> S+ 0 0 1 -3,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.829 116.0 50.6 -64.1 -34.5 -21.1 9.9 1.8 88 107 T R H X S+ 0 0 37 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.844 108.9 50.8 -74.3 -34.6 -23.4 10.4 -1.3 89 108 T L H <>S+ 0 0 8 -4,-2.8 5,-2.8 -5,-0.2 6,-0.2 0.801 107.7 54.8 -67.6 -31.8 -24.9 6.9 -0.8 90 109 T K H <5S+ 0 0 55 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.806 108.5 47.7 -72.9 -32.1 -25.6 7.8 2.8 91 110 T D H <5S+ 0 0 96 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 111.6 49.3 -71.7 -39.2 -27.5 10.9 1.7 92 111 T E T <5S- 0 0 90 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.443 111.4-122.7 -80.2 -1.7 -29.6 9.0 -0.9 93 112 T D T 5S+ 0 0 141 -3,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.823 80.3 118.7 61.4 35.3 -30.4 6.3 1.8 94 113 T L < + 0 0 58 -5,-2.8 2,-0.3 -6,-0.1 -4,-0.2 -0.211 35.4 154.5-122.1 40.5 -28.8 3.7 -0.5 95 114 T L - 0 0 21 -6,-0.2 2,-0.1 -5,-0.1 -9,-0.0 -0.525 34.7-138.9 -80.1 133.2 -26.0 2.5 1.8 96 115 T S - 0 0 1 -2,-0.3 -24,-0.2 49,-0.1 3,-0.2 -0.330 34.4 -96.7 -79.4 169.2 -24.6 -1.0 1.4 97 116 T S S S+ 0 0 43 -24,-1.0 2,-0.3 -26,-0.7 -23,-0.2 0.884 106.4 0.4 -58.9 -41.1 -23.8 -3.2 4.3 98 117 T K E -a 74 0A 21 -25,-1.1 -23,-1.7 2,-0.0 2,-0.5 -0.980 63.4-148.7-148.9 142.0 -20.1 -2.1 4.0 99 118 T Y E -ac 75 146A 0 46,-3.0 48,-2.8 -2,-0.3 2,-0.4 -0.941 16.9-167.5-110.0 121.0 -18.1 0.2 1.7 100 119 T F E -ac 76 147A 0 -25,-3.2 -23,-2.8 -2,-0.5 2,-0.4 -0.902 2.7-169.8-110.7 133.2 -14.5 -0.7 1.0 101 120 T E E -ac 77 148A 2 46,-2.1 48,-3.4 -2,-0.4 2,-0.4 -0.948 3.0-169.8-121.7 145.2 -12.0 1.6 -0.7 102 121 T V E +ac 78 149A 1 -25,-2.0 -22,-2.2 -2,-0.4 -23,-1.2 -0.997 20.0 130.4-137.6 134.6 -8.5 0.7 -1.9 103 122 T D E - c 0 150A 23 46,-1.9 48,-2.4 -2,-0.4 -2,-0.0 -0.964 60.3 -57.2-164.1 172.3 -5.5 2.7 -3.1 104 123 T F >> - 0 0 32 -2,-0.3 4,-2.5 46,-0.2 3,-0.6 -0.286 53.9-115.0 -52.6 143.4 -1.7 3.2 -2.8 105 124 T P H 3> S+ 0 0 38 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.894 116.6 58.0 -50.8 -45.1 -0.8 4.0 0.9 106 125 T M H 3> S+ 0 0 100 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.892 109.7 43.7 -49.9 -46.6 0.4 7.5 -0.2 107 126 T I H <> S+ 0 0 3 -3,-0.6 4,-1.7 2,-0.2 3,-0.3 0.944 112.5 51.4 -67.9 -48.4 -3.1 8.3 -1.6 108 127 T V H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.889 105.1 57.3 -55.2 -42.9 -4.9 6.8 1.4 109 128 T T H X S+ 0 0 69 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.880 106.6 49.5 -55.3 -42.9 -2.7 9.0 3.7 110 129 T R H X S+ 0 0 136 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.860 114.3 45.7 -60.8 -38.2 -4.0 12.1 1.9 111 130 T K H X S+ 0 0 3 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.795 109.6 52.8 -80.5 -30.2 -7.5 10.8 2.3 112 131 T L H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.836 106.8 53.6 -74.6 -34.4 -7.2 9.9 6.0 113 132 T H H X S+ 0 0 117 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.956 110.8 46.1 -59.4 -52.4 -5.9 13.4 6.8 114 133 T S H X S+ 0 0 12 -4,-1.5 4,-1.8 2,-0.2 7,-0.2 0.897 114.6 47.6 -58.7 -43.4 -8.9 15.0 5.1 115 134 T I H < S+ 0 0 0 -4,-1.9 7,-0.4 2,-0.2 6,-0.2 0.950 115.6 43.4 -63.3 -50.5 -11.3 12.6 6.9 116 135 T K H < S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 116.9 47.4 -65.1 -38.1 -9.7 13.1 10.3 117 136 T C H < S+ 0 0 72 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.828 107.0 58.7 -71.6 -34.6 -9.4 16.9 10.0 118 137 T K >X - 0 0 71 -4,-1.8 3,-1.7 -5,-0.2 4,-1.6 -0.875 61.0-159.8-114.9 111.2 -12.9 17.6 8.7 119 138 T P H 3> S+ 0 0 78 0, 0.0 4,-2.9 0, 0.0 -1,-0.1 0.846 91.0 67.8 -55.7 -39.0 -16.1 16.7 10.7 120 139 T P H 34 S+ 0 0 66 0, 0.0 -5,-0.1 0, 0.0 -86,-0.0 0.794 111.7 37.4 -50.5 -26.4 -18.4 16.9 7.6 121 140 T L H <> S+ 0 0 0 -3,-1.7 4,-0.6 -7,-0.2 -6,-0.1 0.832 122.2 40.3 -88.8 -40.1 -16.4 13.8 6.5 122 141 T S H X S+ 0 0 17 -4,-1.6 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