==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-MAR-04 1VCO . COMPND 2 MOLECULE: CTP SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.GOTO,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE . 532 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 1 1 1 0 2 2 1 2 1 6 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 3 2 0 0 1 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 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 1 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 10 A R 0 0 238 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.5 34.6 4.1 54.3 2 11 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 164,-0.0 -0.244 360.0-108.9 -64.9 148.4 31.0 3.0 54.8 3 12 A R - 0 0 51 135,-0.1 2,-0.4 163,-0.0 135,-0.2 -0.588 35.2-138.6 -75.8 137.2 28.0 5.1 53.7 4 13 A K E -a 138 0A 17 133,-2.9 135,-2.8 -2,-0.3 2,-0.5 -0.820 12.2-158.3-104.0 140.0 26.2 6.7 56.6 5 14 A Y E -ab 139 171A 4 165,-3.0 167,-2.4 -2,-0.4 2,-0.5 -0.967 7.2-173.1-120.8 129.3 22.4 7.0 56.9 6 15 A V E -ab 140 172A 0 133,-2.8 135,-2.7 -2,-0.5 2,-0.4 -0.971 12.4-161.9-118.9 113.7 20.5 9.5 59.1 7 16 A F E -ab 141 173A 2 165,-3.0 167,-3.0 -2,-0.5 2,-0.5 -0.774 0.8-159.5 -98.9 142.1 16.8 9.0 59.3 8 17 A I E +ab 142 174A 0 133,-3.0 135,-3.2 -2,-0.4 2,-0.3 -0.972 12.8 174.8-126.6 119.5 14.3 11.7 60.5 9 18 A T E - b 0 175A 4 165,-2.7 167,-2.7 -2,-0.5 2,-0.4 -0.750 16.9-142.2-115.7 166.4 10.8 11.0 61.7 10 19 A G E - b 0 176A 3 -2,-0.3 137,-2.8 133,-0.2 2,-0.3 -0.961 16.4-172.3-131.9 148.1 8.2 13.2 63.2 11 20 A G + 0 0 0 165,-2.9 2,-2.0 -2,-0.4 167,-0.5 -0.892 53.3 21.7-138.5 168.1 5.7 12.7 66.0 12 21 A V S S+ 0 0 53 135,-0.4 2,-0.3 -2,-0.3 165,-0.1 -0.453 118.9 20.2 78.1 -66.5 2.7 14.1 67.8 13 22 A V S S- 0 0 55 -2,-2.0 134,-0.1 132,-0.1 -2,-0.1 -0.951 72.5-122.9-134.6 157.1 1.6 16.5 65.0 14 23 A S S S+ 0 0 107 -2,-0.3 2,-0.6 1,-0.1 4,-0.2 0.692 94.9 63.2 -70.1 -24.1 2.1 16.7 61.2 15 24 A S + 0 0 100 1,-0.1 -1,-0.1 2,-0.1 131,-0.0 -0.900 50.6 124.2-112.0 111.2 3.6 20.2 61.2 16 25 A L S S- 0 0 9 -2,-0.6 -1,-0.1 162,-0.0 198,-0.1 0.336 82.2 -99.9-140.6 -0.8 6.9 20.7 63.0 17 26 A G > + 0 0 42 -3,-0.2 4,-1.7 3,-0.1 3,-0.3 0.782 68.1 152.3 79.9 28.5 9.2 22.2 60.3 18 27 A K H > + 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.776 66.9 60.7 -63.3 -24.8 10.7 18.7 59.8 19 28 A G H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 107.7 42.8 -67.9 -43.5 11.5 19.7 56.2 20 29 A I H > S+ 0 0 22 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.777 111.2 56.0 -73.2 -26.9 13.7 22.6 57.4 21 30 A L H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.940 109.4 46.0 -68.9 -46.2 15.3 20.4 60.1 22 31 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 115.4 47.2 -58.5 -49.4 16.3 17.9 57.4 23 32 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 111.9 50.7 -59.1 -45.6 17.6 20.7 55.3 24 33 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.866 110.7 47.0 -63.8 -39.1 19.4 22.3 58.2 25 34 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.896 109.8 56.2 -69.9 -35.6 21.2 19.1 59.2 26 35 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.933 107.7 48.2 -58.3 -43.3 22.0 18.7 55.6 27 36 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.888 108.5 52.8 -64.6 -41.7 23.7 22.1 55.6 28 37 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.5 47.3 -63.7 -35.2 25.7 21.4 58.8 29 38 A L H ><>S+ 0 0 1 -4,-2.0 5,-1.5 2,-0.2 3,-1.2 0.884 112.6 47.1 -74.8 -38.2 27.0 18.2 57.2 30 39 A R H ><5S+ 0 0 86 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.867 103.7 63.0 -70.4 -31.7 28.0 19.9 53.9 31 40 A A T 3<5S+ 0 0 24 -4,-2.5 243,-1.8 1,-0.3 -1,-0.3 0.519 99.7 57.1 -67.8 -2.9 29.6 22.6 55.9 32 41 A R T < 5S- 0 0 16 -3,-1.2 -1,-0.3 241,-0.2 -2,-0.2 0.299 124.4-103.8-108.7 5.4 31.9 19.8 57.1 33 42 A G T < 5S+ 0 0 67 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.433 73.5 141.1 89.5 -0.3 33.0 18.9 53.6 34 43 A Y < - 0 0 20 -5,-1.5 2,-0.7 1,-0.1 -1,-0.3 -0.402 56.9-121.8 -77.0 151.5 30.9 15.8 53.3 35 44 A R + 0 0 37 -2,-0.1 102,-2.8 100,-0.1 103,-1.8 -0.853 48.3 176.1 -90.4 118.5 29.1 14.8 50.1 36 45 A V E -c 138 0A 2 -2,-0.7 2,-0.3 100,-0.2 103,-0.2 -0.835 22.4-175.4-126.5 162.5 25.5 14.6 51.2 37 46 A T E -c 139 0A 0 101,-1.3 103,-2.5 -2,-0.3 2,-0.4 -0.976 13.3-145.7-154.2 147.2 22.0 14.0 49.8 38 47 A A E -c 140 0A 3 -2,-0.3 2,-0.5 101,-0.2 103,-0.2 -0.937 5.3-160.3-119.8 142.2 18.5 14.1 51.2 39 48 A I E -c 141 0A 0 101,-2.3 103,-2.7 -2,-0.4 2,-0.7 -0.979 8.0-151.6-121.3 127.0 15.6 12.0 50.3 40 49 A K E -cd 142 89A 9 48,-3.6 50,-1.9 -2,-0.5 2,-0.6 -0.889 7.3-155.5-102.0 116.1 12.0 13.1 51.1 41 50 A I E -cd 143 90A 0 101,-3.1 103,-2.0 -2,-0.7 50,-0.2 -0.821 7.9-169.4 -91.0 120.6 9.6 10.2 51.7 42 51 A D E - d 0 91A 14 48,-3.4 50,-1.0 -2,-0.6 101,-0.1 -0.909 10.9-157.0-112.8 102.2 6.1 11.3 51.0 43 52 A P + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.558 56.0 116.7 -53.4 -11.6 3.7 8.6 52.2 44 53 A Y S S- 0 0 45 1,-0.1 48,-1.6 48,-0.1 49,-1.2 -0.183 72.9-124.5 -64.0 157.8 0.9 9.8 49.8 45 54 A V S S+ 0 0 110 47,-0.2 -1,-0.1 46,-0.1 46,-0.1 0.648 75.4 111.5 -76.4 -17.6 -0.3 7.5 47.0 46 55 A N - 0 0 63 1,-0.2 47,-0.5 47,-0.1 48,-0.4 -0.370 68.7-138.5 -59.0 132.3 0.3 10.0 44.2 47 56 A V S S- 0 0 66 46,-0.2 47,-0.3 1,-0.2 2,-0.3 0.927 80.7 -21.8 -58.9 -44.4 3.2 8.6 42.1 48 57 A D S > S- 0 0 40 45,-0.1 3,-0.7 21,-0.1 21,-0.2 -0.898 75.4 -90.2-152.8 178.6 4.6 12.2 41.9 49 58 A A G > S+ 0 0 3 19,-1.6 3,-1.0 -2,-0.3 20,-0.2 0.356 94.6 103.5 -80.5 9.7 3.4 15.7 42.3 50 59 A G G 3 S+ 0 0 28 18,-0.4 -1,-0.2 1,-0.2 19,-0.1 0.743 76.7 47.4 -64.2 -28.8 2.6 15.9 38.6 51 60 A T G < S+ 0 0 119 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.1 0.472 97.2 91.9 -92.8 -1.3 -1.2 15.5 38.9 52 61 A M S < S- 0 0 66 -3,-1.0 8,-0.1 1,-0.1 -3,-0.0 -0.317 94.2 -82.4 -86.3 170.9 -1.5 18.2 41.6 53 62 A R - 0 0 34 1,-0.1 4,-0.2 -2,-0.1 -1,-0.1 -0.606 37.9-138.0 -73.1 131.2 -2.2 21.9 41.2 54 63 A P S S- 0 0 32 0, 0.0 6,-1.5 0, 0.0 -1,-0.1 0.784 87.6 -1.8 -61.9 -30.4 1.2 23.5 40.5 55 64 A Y S > S+ 0 0 10 4,-0.2 3,-2.6 250,-0.1 -2,-0.1 0.706 110.1 78.1-125.4 -56.7 0.6 26.6 42.8 56 65 A E T 3 S+ 0 0 126 1,-0.3 248,-0.2 248,-0.1 3,-0.1 0.735 105.7 32.6 -29.3 -59.0 -2.8 26.7 44.5 57 66 A H T 3 S- 0 0 157 1,-0.4 -1,-0.3 -4,-0.2 2,-0.1 -0.033 139.2 -53.2 -97.6 33.2 -2.2 24.2 47.4 58 67 A G S < S- 0 0 12 -3,-2.6 -1,-0.4 2,-0.1 246,-0.3 0.048 77.8 -63.8 106.9 140.9 1.5 25.0 47.7 59 68 A E - 0 0 11 244,-2.8 2,-0.6 -3,-0.1 12,-0.4 -0.164 37.0-141.0 -58.7 146.3 4.2 25.1 45.1 60 69 A V - 0 0 7 -6,-1.5 10,-0.2 244,-0.2 2,-0.1 -0.962 24.1-137.8-109.2 117.2 5.3 21.9 43.2 61 70 A F E -G 69 0B 1 8,-1.4 8,-2.8 -2,-0.6 2,-0.4 -0.403 9.8-149.0 -75.4 152.6 9.1 22.0 42.8 62 71 A V E -G 68 0B 0 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.993 9.7-148.2-126.3 129.3 10.8 20.9 39.6 63 72 A T > - 0 0 0 4,-2.0 3,-2.8 -2,-0.4 22,-0.1 -0.454 33.8 -98.1 -92.4 166.8 14.2 19.3 39.5 64 73 A A T 3 S+ 0 0 26 20,-0.6 367,-2.1 1,-0.3 391,-0.1 0.823 124.7 56.0 -51.8 -33.5 16.9 19.6 36.8 65 74 A D T 3 S- 0 0 78 19,-0.4 -1,-0.3 365,-0.2 20,-0.1 0.380 122.6-105.9 -83.8 6.5 15.7 16.3 35.4 66 75 A G < + 0 0 7 -3,-2.8 2,-0.2 1,-0.3 -2,-0.1 0.529 67.7 150.6 85.8 5.5 12.2 17.6 35.0 67 76 A A - 0 0 2 362,-0.1 -4,-2.0 1,-0.1 2,-0.7 -0.479 42.4-138.3 -73.5 141.5 10.7 15.8 37.9 68 77 A E E +G 62 0B 29 -6,-0.2 -19,-1.6 -2,-0.2 -18,-0.4 -0.907 40.2 165.0-101.5 113.7 7.7 17.4 39.6 69 78 A T E -G 61 0B 4 -8,-2.8 -8,-1.4 -2,-0.7 -21,-0.1 -0.636 40.9 -70.2-124.8 179.8 8.2 16.9 43.3 70 79 A D > - 0 0 35 -2,-0.2 3,-1.4 -10,-0.2 4,-0.4 -0.330 51.3-110.6 -66.6 152.4 7.1 18.0 46.8 71 80 A L T >> S+ 0 0 32 -12,-0.4 4,-1.2 1,-0.3 3,-1.0 0.720 109.4 76.5 -60.7 -21.6 8.3 21.5 47.8 72 81 A D H 3> S+ 0 0 20 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.855 82.9 65.5 -58.7 -35.3 10.7 20.1 50.4 73 82 A I H <> S+ 0 0 0 -3,-1.4 4,-3.0 1,-0.2 -1,-0.3 0.877 99.6 54.1 -54.7 -36.0 13.1 19.1 47.6 74 83 A G H <> S+ 0 0 0 -3,-1.0 4,-2.6 -4,-0.4 -1,-0.2 0.939 107.7 47.4 -63.9 -45.5 13.5 22.8 47.0 75 84 A H H X S+ 0 0 15 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.910 112.5 51.8 -54.4 -50.4 14.4 23.4 50.6 76 85 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.4 0.924 109.9 47.7 -54.2 -50.6 16.8 20.5 50.3 77 86 A E H X>S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 5,-0.9 0.915 113.1 49.3 -58.0 -43.4 18.5 22.0 47.2 78 87 A R H <5S+ 0 0 6 -4,-2.6 438,-0.3 -5,-0.2 -1,-0.2 0.906 116.2 39.5 -65.0 -42.7 18.8 25.4 48.8 79 88 A F H <5S+ 0 0 6 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.843 124.6 37.4 -77.8 -32.7 20.3 24.3 52.1 80 89 A L H <5S- 0 0 2 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.629 99.6-135.6 -90.2 -17.3 22.7 21.6 50.6 81 90 A D T <5 + 0 0 51 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.985 64.2 105.3 56.8 63.1 23.4 23.6 47.4 82 91 A M S - 0 0 26 -2,-0.2 3,-2.3 -22,-0.1 4,-0.2 -0.779 38.2 -73.6-140.5-174.2 16.4 14.4 41.1 86 95 A R G > S+ 0 0 110 1,-0.3 3,-1.4 -2,-0.2 44,-0.0 0.819 122.6 64.1 -51.8 -35.4 13.3 12.4 40.8 87 96 A G G 3 S+ 0 0 28 1,-0.3 -1,-0.3 43,-0.1 43,-0.2 0.578 88.6 68.9 -69.5 -8.4 14.9 9.7 43.0 88 97 A N G < S+ 0 0 0 -3,-2.3 -48,-3.6 1,-0.2 2,-0.5 0.428 92.2 61.7 -91.5 2.4 15.0 12.1 46.0 89 98 A N E < S-d 40 0A 4 -3,-1.4 2,-0.5 -50,-0.2 -48,-0.2 -0.930 71.1-173.5-130.3 102.7 11.2 12.2 46.4 90 99 A L E -d 41 0A 2 -50,-1.9 -48,-3.4 -2,-0.5 2,-0.3 -0.862 5.9-176.4-101.1 129.9 9.9 8.7 47.3 91 100 A T E > -d 42 0A 0 -2,-0.5 4,-1.9 -44,-0.2 5,-0.2 -0.796 39.3-116.1-125.0 166.2 6.2 8.0 47.5 92 101 A T H > S+ 0 0 18 -48,-1.6 4,-2.9 -50,-1.0 5,-0.4 0.925 115.5 55.5 -63.9 -44.2 3.8 5.2 48.3 93 102 A G H > S+ 0 0 9 -49,-1.2 4,-2.4 -47,-0.5 -46,-0.2 0.913 107.4 48.7 -54.9 -45.8 2.5 5.2 44.7 94 103 A Q H > S+ 0 0 20 -48,-0.4 4,-2.4 -47,-0.3 5,-0.2 0.960 115.1 44.6 -58.0 -53.5 5.9 4.8 43.3 95 104 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.909 117.1 41.6 -60.3 -50.8 6.8 1.9 45.6 96 105 A Y H X S+ 0 0 74 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.909 114.0 54.2 -68.0 -37.7 3.5 -0.1 45.3 97 106 A L H X S+ 0 0 71 -4,-2.4 4,-3.1 -5,-0.4 5,-0.3 0.930 109.7 45.6 -62.3 -45.5 3.3 0.5 41.5 98 107 A S H X S+ 0 0 29 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.936 116.2 45.5 -63.6 -46.3 6.8 -0.9 40.8 99 108 A V H X S+ 0 0 3 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.910 116.2 46.6 -63.4 -41.9 6.3 -3.9 43.0 100 109 A I H X S+ 0 0 89 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.939 113.2 47.0 -66.8 -47.5 2.8 -4.5 41.6 101 110 A Q H X S+ 0 0 90 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.886 111.1 56.0 -61.0 -36.2 4.0 -4.1 38.0 102 111 A K H <>S+ 0 0 12 -4,-2.4 5,-2.0 -5,-0.3 6,-0.3 0.886 108.1 44.9 -65.2 -39.3 6.9 -6.4 38.8 103 112 A E H ><5S+ 0 0 61 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.766 107.8 57.5 -78.7 -22.2 4.7 -9.3 40.0 104 113 A R H 3<5S+ 0 0 187 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 105.3 52.1 -72.2 -29.6 2.2 -9.0 37.1 105 114 A R T 3<5S- 0 0 146 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.448 117.8-120.3 -81.6 -1.0 5.3 -9.5 34.9 106 115 A G T X 5S+ 0 0 43 -3,-0.7 3,-1.7 -5,-0.1 4,-0.2 0.608 70.5 138.2 72.8 12.6 5.9 -12.6 37.0 107 116 A E T 3 < + 0 0 109 -5,-2.0 -4,-0.2 1,-0.3 -1,-0.1 0.527 60.9 67.6 -68.9 -5.4 9.4 -11.3 38.0 108 117 A Y T > S- 0 0 50 -6,-0.3 3,-1.1 -5,-0.1 -1,-0.3 0.320 109.9-121.4 -94.6 8.2 8.8 -12.4 41.6 109 118 A L T < - 0 0 134 -3,-1.7 -2,-0.1 1,-0.2 -6,-0.1 0.885 61.5 -54.9 55.9 50.3 9.0 -16.0 40.3 110 119 A S T 3 S+ 0 0 130 -4,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.480 100.6 130.9 69.2 4.6 5.6 -17.3 41.4 111 120 A Q < - 0 0 106 -3,-1.1 2,-0.5 -5,-0.1 -1,-0.2 -0.464 68.3 -95.3 -88.6 162.7 5.9 -16.4 45.1 112 121 A T - 0 0 111 -2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.660 41.3-143.2 -76.3 122.6 3.4 -14.5 47.3 113 122 A V + 0 0 40 -2,-0.5 2,-0.3 4,-0.1 3,-0.1 -0.741 24.7 178.0 -92.3 134.0 4.4 -10.9 47.3 114 123 A Q >> - 0 0 115 -2,-0.4 5,-1.6 1,-0.1 4,-0.8 -0.921 47.1-108.6-137.2 160.2 3.9 -8.9 50.5 115 124 A V T 4>S+ 0 0 61 -2,-0.3 5,-2.5 1,-0.2 4,-0.3 0.935 105.2 70.3 -47.3 -49.1 4.4 -5.4 52.1 116 125 A I T 45S- 0 0 88 1,-0.2 -1,-0.2 3,-0.2 42,-0.0 -0.978 117.2 -2.6-114.9 127.6 7.2 -7.1 54.0 117 126 A P T >5S+ 0 0 56 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 -1.000 135.7 47.1 -95.1 -6.4 9.6 -8.0 52.6 118 127 A H H X5S+ 0 0 12 -4,-0.8 4,-2.0 2,-0.2 -3,-0.2 0.926 116.8 38.2 -64.0 -50.8 8.7 -7.0 49.0 119 128 A I H >S+ 0 0 0 -4,-1.6 5,-2.4 -5,-0.3 -1,-0.2 0.870 110.7 49.5 -66.0 -35.7 22.4 7.7 47.2 132 141 A E H ><5S+ 0 0 111 -4,-2.5 3,-2.7 3,-0.2 -2,-0.2 0.971 107.4 52.2 -65.9 -53.4 24.7 5.6 45.0 133 142 A E H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 113.8 45.0 -52.4 -34.3 24.1 7.7 41.8 134 143 A Q T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.313 106.7-128.6 -95.3 10.6 24.8 10.8 43.8 135 144 A K T < 5 - 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