==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-10 3N0V . COMPND 2 MOLECULE: FORMYLTETRAHYDROFOLATE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1117 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 799 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 6 0.5 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 . 86 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.9 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 0 0 7 1 4 0 0 8 2 2 3 1 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 4 0 4 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 0 4 8 2 4 4 4 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 . 4 0 0 0 0 4 2 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 6 A D 0 0 161 0, 0.0 2,-0.4 0, 0.0 51,-0.4 0.000 360.0 360.0 360.0 25.2 90.8 60.2 20.2 2 7 A T - 0 0 24 79,-0.2 49,-0.2 49,-0.1 2,-0.2 -0.925 360.0-130.9-121.6 141.3 87.8 61.3 22.3 3 8 A W E -A 50 0A 9 47,-3.2 47,-2.2 -2,-0.4 2,-0.5 -0.578 22.9-138.8 -77.2 147.8 87.4 62.8 25.9 4 9 A I E -AB 49 79A 24 75,-2.2 75,-2.6 45,-0.2 2,-0.5 -0.951 18.4-173.9-114.9 127.6 84.8 61.1 28.2 5 10 A L E -AB 48 78A 2 43,-3.6 43,-2.8 -2,-0.5 2,-0.4 -0.984 2.8-179.3-126.4 122.4 82.6 63.2 30.4 6 11 A T E +AB 47 77A 15 71,-2.7 71,-2.6 -2,-0.5 2,-0.3 -0.969 5.6 173.6-121.8 135.5 80.3 61.8 33.0 7 12 A A E -AB 46 76A 1 39,-2.3 39,-2.8 -2,-0.4 2,-0.3 -0.978 8.2-178.1-138.5 152.3 77.9 63.8 35.2 8 13 A D E +AB 45 75A 43 67,-2.3 67,-2.6 -2,-0.3 37,-0.2 -0.988 13.7 148.0-149.0 149.4 75.2 63.1 37.7 9 14 A C E -A 44 0A 0 35,-1.5 35,-3.0 -2,-0.3 65,-0.1 -0.967 52.2 -61.3-165.9 167.5 72.9 65.3 39.8 10 15 A P E -A 43 0A 54 0, 0.0 33,-0.3 0, 0.0 32,-0.1 -0.440 69.8 -92.1 -60.9 137.1 69.5 65.6 41.4 11 16 A S + 0 0 33 31,-3.1 2,-0.3 27,-0.2 32,-0.0 -0.245 66.6 131.5 -56.3 131.1 66.7 65.5 38.8 12 17 A X > - 0 0 86 -3,-0.1 3,-1.0 31,-0.0 2,-0.2 -0.959 60.2 -74.3-165.6 171.0 65.5 68.9 37.5 13 18 A L T 3 S+ 0 0 55 -2,-0.3 577,-0.1 1,-0.2 572,-0.0 -0.504 112.9 28.9 -69.9 135.8 64.7 70.7 34.2 14 19 A G T 3> S+ 0 0 9 575,-0.2 4,-1.9 -2,-0.2 -1,-0.2 0.621 74.3 126.0 90.4 13.1 67.9 71.7 32.3 15 20 A T H <> S+ 0 0 6 -3,-1.0 4,-0.8 2,-0.2 5,-0.1 0.881 83.0 40.0 -70.0 -38.9 70.2 68.9 33.4 16 21 A V H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 114.2 57.7 -73.7 -34.3 71.0 67.9 29.8 17 22 A D H > S+ 0 0 10 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.877 99.9 54.8 -60.7 -43.5 71.1 71.6 28.9 18 23 A V H X S+ 0 0 15 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.836 116.9 36.1 -67.9 -33.2 73.8 72.6 31.4 19 24 A V H X S+ 0 0 3 -4,-0.8 4,-2.1 -3,-0.2 -1,-0.2 0.884 120.6 47.7 -79.5 -44.8 76.3 70.0 30.1 20 25 A T H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 558,-0.2 0.905 112.9 46.3 -68.2 -44.3 75.3 70.4 26.4 21 26 A R H X S+ 0 0 64 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.894 113.2 50.6 -64.0 -40.7 75.3 74.2 26.3 22 27 A Y H X S+ 0 0 8 -4,-0.7 4,-1.9 -5,-0.4 -2,-0.2 0.886 108.1 51.8 -66.6 -39.4 78.7 74.3 28.1 23 28 A L H <>S+ 0 0 1 -4,-2.1 5,-2.7 2,-0.2 -1,-0.2 0.883 110.4 50.9 -62.0 -38.7 80.2 71.8 25.7 24 29 A F H ><5S+ 0 0 77 -4,-1.7 3,-2.1 3,-0.2 -2,-0.2 0.971 110.2 47.3 -60.8 -54.9 79.0 74.0 22.8 25 30 A E H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.831 110.4 53.2 -57.9 -35.8 80.6 77.2 24.2 26 31 A Q T 3<5S- 0 0 50 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.391 113.3-120.2 -80.7 2.5 83.9 75.4 24.8 27 32 A R T < 5 + 0 0 141 -3,-2.1 2,-0.7 1,-0.2 -3,-0.2 0.841 57.4 157.4 58.7 36.6 83.9 74.2 21.2 28 33 A C < - 0 0 1 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.848 39.0-137.1 -94.4 116.2 83.9 70.6 22.2 29 34 A Y E -C 51 0A 33 22,-1.7 22,-2.6 -2,-0.7 2,-0.3 -0.639 14.7-137.0 -82.9 111.7 82.5 68.5 19.4 30 35 A V E +C 50 0A 22 -2,-0.7 20,-0.3 20,-0.2 3,-0.1 -0.507 24.7 177.6 -71.5 124.8 80.1 65.9 20.7 31 36 A T E S- 0 0 30 18,-2.5 567,-1.6 1,-0.4 2,-0.3 0.777 71.2 -5.4 -98.5 -38.5 80.7 62.5 19.1 32 37 A E E -CD 49 597A 48 17,-1.4 17,-2.8 565,-0.2 -1,-0.4 -0.959 61.0-165.7-160.4 163.2 78.1 60.7 21.1 33 38 A H E +CD 48 596A 0 563,-0.7 563,-1.5 -2,-0.3 2,-0.4 -0.991 7.0 175.4-153.1 115.0 75.8 61.4 24.0 34 39 A H E +CD 47 595A 26 13,-2.9 13,-3.1 -2,-0.4 2,-0.3 -0.995 9.2 169.9-132.6 132.8 73.7 59.2 26.3 35 40 A S E -CD 46 594A 2 559,-2.4 559,-1.5 -2,-0.4 2,-0.3 -0.954 12.2-168.2-140.6 160.3 71.6 60.2 29.4 36 41 A F E -CD 45 593A 2 9,-2.4 9,-2.2 -2,-0.3 2,-0.6 -0.981 9.4-157.8-150.4 133.5 69.0 58.8 31.8 37 42 A D E -C 44 0A 5 555,-2.0 2,-0.8 -2,-0.3 7,-0.2 -0.947 17.0-146.8-114.6 109.9 66.7 60.3 34.4 38 43 A D E >> -C 43 0A 0 5,-2.5 4,-1.7 -2,-0.6 5,-0.8 -0.657 7.8-165.4 -80.0 108.2 65.6 57.8 37.0 39 44 A R T 45S+ 0 0 146 -2,-0.8 -1,-0.2 1,-0.2 5,-0.0 0.698 86.2 47.6 -70.5 -19.5 62.1 58.8 38.1 40 45 A Q T 45S+ 0 0 101 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.898 119.8 35.3 -85.3 -44.2 62.1 56.6 41.2 41 46 A S T 45S- 0 0 38 2,-0.1 -2,-0.2 232,-0.0 -1,-0.1 0.580 98.1-130.8 -86.3 -11.4 65.6 57.7 42.6 42 47 A G T <5 + 0 0 33 -4,-1.7 -31,-3.1 1,-0.2 2,-0.4 0.772 62.9 132.6 66.7 27.0 65.3 61.4 41.5 43 48 A R E < -AC 10 38A 77 -5,-0.8 -5,-2.5 -33,-0.3 2,-0.4 -0.881 44.8-152.5-116.6 144.5 68.8 61.1 39.9 44 49 A F E -AC 9 37A 2 -35,-3.0 -35,-1.5 -2,-0.4 2,-0.4 -0.886 11.9-170.9-115.1 144.9 70.1 62.2 36.5 45 50 A F E -AC 8 36A 0 -9,-2.2 -9,-2.4 -2,-0.4 2,-0.4 -1.000 3.8-177.9-139.7 135.5 73.0 60.6 34.7 46 51 A I E -AC 7 35A 1 -39,-2.8 -39,-2.3 -2,-0.4 2,-0.4 -0.998 10.1-172.4-138.5 135.0 74.9 61.7 31.6 47 52 A R E +AC 6 34A 6 -13,-3.1 -13,-2.9 -2,-0.4 2,-0.4 -0.997 16.3 173.3-121.1 128.0 77.8 60.2 29.6 48 53 A V E -AC 5 33A 1 -43,-2.8 -43,-3.6 -2,-0.4 2,-0.4 -0.997 17.4-160.6-135.0 137.2 79.3 62.2 26.7 49 54 A E E +AC 4 32A 33 -17,-2.8 -18,-2.5 -2,-0.4 -17,-1.4 -0.956 21.4 174.4-111.4 138.3 82.3 61.7 24.5 50 55 A F E -AC 3 30A 0 -47,-2.2 -47,-3.2 -2,-0.4 2,-0.5 -0.970 33.9-120.8-140.4 157.6 83.8 64.6 22.6 51 56 A R E - C 0 29A 115 -22,-2.6 -22,-1.7 -2,-0.3 -49,-0.1 -0.859 38.5-127.1 -91.0 128.4 86.7 65.6 20.4 52 57 A Q - 0 0 84 -2,-0.5 2,-0.1 -51,-0.4 -24,-0.1 -0.343 19.7-119.3 -71.2 155.5 88.8 68.4 22.0 53 58 A P - 0 0 19 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.360 39.1 -84.3 -80.4 171.6 89.6 71.6 20.2 54 59 A D S S+ 0 0 142 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.576 118.9 25.5 -72.0 145.5 93.1 72.8 19.3 55 60 A D S S- 0 0 159 -2,-0.2 2,-0.8 1,-0.2 -1,-0.2 0.998 88.7-165.5 55.6 67.2 94.5 74.7 22.3 56 61 A F - 0 0 35 -3,-0.3 2,-1.2 -4,-0.1 -1,-0.2 -0.774 13.2-151.3 -90.5 111.7 92.3 72.8 24.8 57 62 A D > + 0 0 102 -2,-0.8 4,-1.1 1,-0.2 5,-0.1 -0.699 21.6 172.5 -82.0 97.0 92.2 74.5 28.2 58 63 A E H > S+ 0 0 76 -2,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.898 74.4 50.4 -73.2 -44.4 91.6 71.5 30.5 59 64 A A H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.954 115.6 41.4 -59.3 -53.7 92.0 73.3 33.8 60 65 A G H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.724 110.5 58.8 -69.6 -24.9 89.7 76.2 32.9 61 66 A F H X S+ 0 0 0 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.920 110.2 42.7 -65.8 -46.8 87.2 73.7 31.3 62 67 A R H X S+ 0 0 85 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.958 114.6 50.6 -62.0 -52.4 86.9 71.9 34.7 63 68 A A H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 112.7 45.4 -52.3 -49.9 86.7 75.1 36.7 64 69 A G H X S+ 0 0 9 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.776 114.4 49.2 -67.8 -28.5 84.0 76.5 34.4 65 70 A L H X S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.895 110.0 51.1 -74.4 -41.4 82.1 73.2 34.6 66 71 A A H X S+ 0 0 47 -4,-3.5 4,-1.0 1,-0.2 -2,-0.2 0.913 109.6 52.7 -56.1 -44.2 82.5 73.2 38.4 67 72 A E H >< S+ 0 0 139 -4,-2.4 3,-0.5 -5,-0.2 4,-0.4 0.919 113.7 39.4 -59.6 -51.4 81.1 76.7 38.5 68 73 A R H 3< S+ 0 0 102 -4,-1.6 3,-0.5 1,-0.2 4,-0.4 0.752 108.7 62.8 -71.4 -26.3 77.9 75.9 36.4 69 74 A S H >X>S+ 0 0 9 -4,-2.0 5,-2.2 1,-0.2 4,-1.1 0.751 85.0 78.3 -72.2 -22.9 77.4 72.5 38.2 70 75 A E G X<5S+ 0 0 161 -4,-1.0 3,-0.8 -3,-0.5 -1,-0.2 0.888 88.7 53.4 -54.2 -46.9 76.9 74.2 41.5 71 76 A A G 345S+ 0 0 88 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.776 115.5 41.2 -60.6 -27.8 73.3 75.3 40.8 72 77 A F G <45S- 0 0 32 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.553 106.1-121.9 -95.9 -10.4 72.4 71.7 39.9 73 78 A G T <<5 + 0 0 49 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.825 57.0 168.9 65.5 34.2 74.4 70.0 42.7 74 79 A X < - 0 0 12 -5,-2.2 2,-0.4 -65,-0.1 -65,-0.2 -0.609 27.6-162.0 -89.0 133.9 76.1 68.2 39.9 75 80 A A E -B 8 0A 55 -67,-2.6 -67,-2.3 -2,-0.3 2,-0.3 -0.883 16.6-175.7-105.3 146.1 79.3 66.1 40.2 76 81 A F E -B 7 0A 54 -2,-0.4 2,-0.4 -69,-0.2 -69,-0.2 -0.954 18.5-156.8-140.4 161.0 81.3 65.3 37.1 77 82 A E E -B 6 0A 95 -71,-2.6 -71,-2.7 -2,-0.3 2,-0.4 -0.996 9.2-160.5-139.2 137.3 84.3 63.3 36.0 78 83 A L E -B 5 0A 11 -2,-0.4 2,-0.5 -73,-0.2 -73,-0.2 -0.982 4.4-165.0-126.5 129.8 86.5 64.0 32.9 79 84 A T E -B 4 0A 13 -75,-2.6 -75,-2.2 -2,-0.4 -2,-0.0 -0.960 18.4-127.9-123.8 120.7 88.8 61.4 31.3 80 85 A A > - 0 0 33 -2,-0.5 3,-1.5 -77,-0.2 -78,-0.1 -0.247 32.0-105.3 -64.6 156.5 91.5 62.2 28.8 81 86 A P T 3 S+ 0 0 54 0, 0.0 -79,-0.2 0, 0.0 -1,-0.1 0.799 114.9 40.0 -53.0 -42.0 91.5 60.2 25.4 82 87 A N T 3 S+ 0 0 134 -81,-0.1 -79,-0.1 2,-0.0 -2,-0.1 0.347 82.4 144.9 -94.9 6.1 94.4 57.9 26.1 83 88 A H < - 0 0 73 -3,-1.5 28,-0.0 1,-0.1 -4,-0.0 -0.194 25.3-175.2 -65.8 129.4 93.6 57.1 29.7 84 89 A R - 0 0 92 28,-0.0 28,-0.2 29,-0.0 -1,-0.1 -0.959 25.0-128.9-122.5 108.3 94.4 53.6 31.0 85 90 A P - 0 0 2 0, 0.0 28,-2.4 0, 0.0 2,-0.4 -0.313 18.1-126.4 -59.1 137.4 93.3 52.9 34.6 86 91 A K E -h 113 0B 91 74,-0.3 76,-2.6 26,-0.2 77,-1.4 -0.730 35.0-164.8 -83.0 132.6 95.9 51.5 36.9 87 92 A V E -hi 114 163B 0 26,-2.6 28,-2.4 -2,-0.4 29,-1.0 -0.932 22.3-158.6-130.1 139.8 94.6 48.3 38.5 88 93 A V E -hi 116 164B 0 75,-2.1 77,-2.6 -2,-0.4 2,-0.5 -0.985 16.3-155.0-112.7 128.0 95.5 46.1 41.4 89 94 A I E -hi 117 165B 0 27,-2.3 29,-2.3 -2,-0.5 2,-0.4 -0.923 4.3-153.9-103.7 128.3 94.1 42.6 41.2 90 95 A X E +hi 118 166B 1 75,-3.2 77,-2.4 -2,-0.5 2,-0.3 -0.855 21.6 171.1-102.7 135.8 93.6 40.7 44.4 91 96 A V E -h 119 0B 0 27,-2.3 29,-0.9 -2,-0.4 30,-0.4 -0.955 23.4-176.3-142.0 154.6 93.7 36.9 44.4 92 97 A S S S- 0 0 2 76,-0.5 32,-0.4 75,-0.4 29,-0.1 0.253 70.6 -47.0-114.5-111.1 93.8 33.8 46.6 93 98 A K S S+ 0 0 122 75,-0.3 2,-0.5 30,-0.1 76,-0.1 0.717 108.2 91.0-103.2 -27.4 94.1 30.3 45.2 94 99 A A - 0 0 31 74,-0.4 -2,-0.4 1,-0.1 4,-0.3 -0.614 50.8-177.7 -70.8 120.9 91.5 30.3 42.3 95 100 A D > + 0 0 72 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 0.429 55.1 93.4-102.1 1.1 93.4 31.5 39.2 96 101 A H H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.913 88.8 41.2 -69.2 -45.1 90.6 31.5 36.7 97 102 A C H > S+ 0 0 1 2,-0.2 4,-2.5 70,-0.2 -1,-0.2 0.889 115.1 52.3 -69.3 -38.4 89.5 35.2 37.0 98 103 A L H > S+ 0 0 0 69,-0.3 4,-2.4 -4,-0.3 5,-0.3 0.946 110.7 47.7 -61.1 -49.4 93.2 36.4 37.1 99 104 A N H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.885 112.9 49.7 -55.4 -42.5 94.0 34.4 33.9 100 105 A D H X S+ 0 0 13 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.934 112.1 45.7 -66.3 -47.3 91.0 35.8 32.2 101 106 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 115.1 46.3 -64.0 -42.5 91.6 39.5 33.1 102 107 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.853 112.4 51.4 -71.8 -33.8 95.3 39.4 32.2 103 108 A Y H X S+ 0 0 15 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.938 113.3 44.4 -63.4 -49.0 94.5 37.6 28.9 104 109 A R H <>S+ 0 0 47 -4,-2.5 6,-1.7 2,-0.2 5,-1.5 0.812 113.4 51.7 -66.4 -34.5 91.9 40.3 28.0 105 110 A Q H ><5S+ 0 0 42 -4,-2.2 3,-1.5 4,-0.2 -2,-0.2 0.976 109.8 49.5 -59.5 -54.8 94.4 43.0 29.1 106 111 A R H 3<5S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.836 109.8 49.0 -59.1 -40.6 97.1 41.6 26.9 107 112 A I T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.538 117.8-110.5 -80.4 -6.4 95.0 41.3 23.7 108 113 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.520 85.7 119.8 95.2 8.1 93.8 44.9 24.2 109 114 A Q S S+ 0 0 70 0, 0.0 3,-1.2 0, 0.0 15,-0.1 0.519 81.4 94.9 -87.5 -5.2 102.1 32.5 47.7 123 128 A D T 3 S+ 0 0 76 1,-0.3 4,-0.2 2,-0.1 -30,-0.1 0.838 80.2 46.7 -64.1 -43.7 100.5 30.2 45.1 124 129 A L T 3> S+ 0 0 15 -32,-0.4 4,-1.9 -3,-0.2 3,-0.3 0.343 79.7 102.5 -87.2 9.3 99.8 32.5 42.1 125 130 A E H <> S+ 0 0 83 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.899 78.0 54.8 -55.1 -47.1 103.2 34.2 42.1 126 131 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.859 108.0 50.0 -57.7 -35.9 104.5 32.2 39.1 127 132 A L H > S+ 0 0 23 -3,-0.3 4,-1.1 -4,-0.2 -2,-0.2 0.904 113.6 44.7 -68.1 -43.9 101.4 33.3 37.1 128 133 A A H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 -1,-0.2 0.875 113.3 51.1 -64.0 -41.2 102.0 37.0 38.0 129 134 A H H ><5S+ 0 0 130 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.887 102.9 58.2 -67.7 -39.5 105.7 36.6 37.3 130 135 A W H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.9 46.7 -58.6 -33.7 105.2 35.1 33.8 131 136 A H T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.431 115.7-119.8 -85.4 2.0 103.2 38.3 32.9 132 137 A K T < 5 + 0 0 187 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.815 66.2 142.6 59.8 35.7 106.0 40.4 34.4 133 138 A I < - 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