==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-10 3NRB . COMPND 2 MOLECULE: FORMYLTETRAHYDROFOLATE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1126 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 . 106 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.3 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 1 0 4 4 1 1 6 3 0 3 2 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 4 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 8 0 4 4 0 8 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 2 0 0 4 1 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 3 A K > 0 0 80 0, 0.0 3,-2.8 0, 0.0 80,-0.3 0.000 360.0 360.0 360.0 -62.6 43.1 29.4 22.2 2 4 A N T 3 + 0 0 78 1,-0.3 79,-0.0 78,-0.1 51,-0.0 0.657 360.0 41.6 -32.2 -35.2 44.3 26.2 20.4 3 5 A N T 3 S+ 0 0 66 53,-0.1 51,-2.5 76,-0.0 2,-0.5 0.275 85.6 113.8-109.2 7.5 40.6 25.0 19.7 4 6 A Q E < +A 53 0A 36 -3,-2.8 76,-1.9 49,-0.2 77,-0.5 -0.728 37.5 161.6 -93.9 122.5 39.0 28.3 18.7 5 7 A Y E -AB 52 79A 40 47,-2.5 47,-3.2 -2,-0.5 2,-0.5 -0.968 30.3-143.1-139.9 154.1 37.7 28.7 15.1 6 8 A V E -AB 51 78A 7 72,-2.9 72,-2.5 -2,-0.3 2,-0.5 -0.985 12.2-162.3-121.8 127.0 35.4 30.8 13.0 7 9 A L E -AB 50 77A 0 43,-3.0 43,-2.9 -2,-0.5 2,-0.4 -0.949 7.3-173.3-108.5 119.9 33.4 29.3 10.2 8 10 A S E -AB 49 76A 6 68,-2.2 68,-1.9 -2,-0.5 2,-0.4 -0.969 9.0-178.4-114.8 136.9 31.9 31.7 7.7 9 11 A L E -AB 48 75A 1 39,-2.6 39,-2.6 -2,-0.4 2,-0.3 -0.989 17.9-179.6-141.1 140.1 29.5 30.3 5.1 10 12 A A E +AB 47 74A 6 64,-2.3 64,-2.4 -2,-0.4 2,-0.3 -0.992 27.9 133.1-132.7 136.5 27.6 31.7 2.1 11 13 A C E -A 46 0A 3 35,-2.1 35,-2.8 -2,-0.3 2,-0.5 -0.940 59.4 -63.0-163.0-177.3 25.3 29.4 -0.1 12 14 A Q E -A 45 0A 49 59,-2.0 33,-0.2 -2,-0.3 32,-0.1 -0.755 62.2-113.0 -82.5 126.9 21.9 28.9 -1.8 13 15 A D + 0 0 50 31,-2.3 -1,-0.1 -2,-0.5 26,-0.0 -0.223 46.5 159.7 -63.2 144.0 19.1 28.9 0.9 14 16 A A > - 0 0 32 31,-0.0 3,-1.0 1,-0.0 57,-0.0 -0.957 52.0-101.8-157.9 160.5 17.2 25.6 1.5 15 17 A P T 3 S+ 0 0 71 0, 0.0 865,-0.3 0, 0.0 4,-0.3 0.754 112.2 49.9 -66.8 -17.6 15.2 24.3 4.4 16 18 A G T 3> S+ 0 0 2 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.408 75.8 99.9-102.2 2.5 17.9 22.0 5.8 17 19 A I H <> S+ 0 0 2 -3,-1.0 4,-3.1 1,-0.2 5,-0.3 0.935 86.4 41.8 -58.4 -55.6 21.1 24.1 6.1 18 20 A V H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.903 115.2 52.3 -60.5 -44.0 21.1 25.0 9.7 19 21 A S H > S+ 0 0 7 851,-0.3 4,-1.4 -4,-0.3 -1,-0.2 0.919 115.5 40.6 -56.8 -44.4 20.1 21.5 10.7 20 22 A E H X S+ 0 0 59 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.875 117.6 45.8 -79.3 -39.4 22.9 19.9 8.7 21 23 A V H X S+ 0 0 1 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.948 116.5 44.3 -66.6 -48.8 25.7 22.4 9.6 22 24 A S H X S+ 0 0 12 -4,-2.6 4,-2.3 -5,-0.3 845,-0.3 0.849 114.8 50.0 -64.2 -34.4 24.8 22.4 13.4 23 25 A T H X S+ 0 0 38 -4,-1.4 4,-2.9 -5,-0.3 -1,-0.2 0.932 110.5 48.9 -71.4 -45.0 24.5 18.7 13.5 24 26 A F H X S+ 0 0 22 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.944 114.0 46.0 -54.9 -53.2 27.8 18.2 11.7 25 27 A L H <>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 3,-0.4 0.872 113.8 48.8 -57.2 -41.2 29.6 20.6 14.1 26 28 A F H ><5S+ 0 0 89 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.938 108.3 54.2 -66.4 -43.9 27.9 18.9 17.1 27 29 A N H 3<5S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.651 108.8 50.7 -63.8 -18.0 28.9 15.5 15.8 28 30 A N T 3<5S- 0 0 79 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.169 124.6 -97.8-107.0 19.1 32.5 16.7 15.7 29 31 A G T < 5 + 0 0 47 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.298 67.7 155.9 91.9 -7.4 32.7 18.1 19.2 30 32 A A < - 0 0 3 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.196 27.6-161.2 -60.8 134.2 32.0 21.8 18.5 31 33 A N E -C 53 0A 55 22,-2.8 22,-2.7 833,-0.0 2,-0.6 -0.981 21.5-128.0-107.0 140.5 30.6 24.0 21.1 32 34 A I E +C 52 0A 25 -2,-0.4 20,-0.2 20,-0.2 3,-0.1 -0.788 29.8 172.6 -94.1 114.3 29.1 27.2 19.7 33 35 A V E S+ 0 0 70 18,-2.5 2,-0.3 -2,-0.6 854,-0.3 0.775 76.6 0.3 -82.6 -36.2 30.4 30.5 21.3 34 36 A E E -C 51 0A 53 17,-1.5 17,-3.1 852,-0.1 -1,-0.4 -0.980 66.6-178.6-157.7 137.3 28.5 32.8 18.9 35 37 A A E +C 50 0A 20 -2,-0.3 850,-0.6 15,-0.2 2,-0.3 -0.996 5.4 167.3-143.6 141.4 26.3 32.1 15.9 36 38 A E E -C 49 0A 36 13,-1.4 13,-2.3 -2,-0.3 2,-0.3 -0.981 6.5-176.0-149.6 139.4 24.5 34.4 13.4 37 39 A Q E -C 48 0A 31 846,-0.5 2,-0.4 -2,-0.3 846,-0.3 -0.956 8.2-160.9-131.6 156.6 22.7 33.7 10.1 38 40 A F E -C 47 0A 24 9,-2.6 9,-2.1 -2,-0.3 2,-0.8 -0.962 7.0-155.9-138.2 119.9 21.1 36.0 7.6 39 41 A N E -C 46 0A 29 -2,-0.4 2,-1.0 842,-0.3 7,-0.2 -0.862 19.7-144.7 -92.3 110.9 18.6 34.7 5.0 40 42 A D E >>> -C 45 0A 11 5,-2.7 4,-1.7 -2,-0.8 3,-0.7 -0.662 9.7-163.4 -83.9 100.1 18.8 37.3 2.1 41 43 A E T 345S+ 0 0 95 -2,-1.0 -1,-0.2 1,-0.2 483,-0.0 0.753 84.5 60.2 -52.6 -24.3 15.3 37.7 0.6 42 44 A D T 345S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.848 123.3 12.4 -82.7 -36.1 16.9 39.3 -2.5 43 45 A S T <45S- 0 0 57 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.342 96.0-122.9-113.2 6.6 19.1 36.5 -3.9 44 46 A S T <5 + 0 0 81 -4,-1.7 -31,-2.3 1,-0.2 2,-0.3 0.888 64.3 148.0 43.1 43.0 17.7 33.8 -1.7 45 47 A K E < -AC 12 40A 70 -5,-0.7 -5,-2.7 -33,-0.2 2,-0.4 -0.765 40.5-140.5-101.3 153.1 21.3 33.3 -0.5 46 48 A F E -AC 11 39A 2 -35,-2.8 -35,-2.1 -2,-0.3 2,-0.4 -0.927 15.1-168.6-119.5 137.5 22.1 32.2 3.0 47 49 A F E +AC 10 38A 1 -9,-2.1 -9,-2.6 -2,-0.4 2,-0.3 -0.977 7.9 174.9-130.5 146.4 24.9 33.6 5.2 48 50 A X E -AC 9 37A 11 -39,-2.6 -39,-2.6 -2,-0.4 2,-0.4 -0.998 17.7-170.8-151.2 145.5 26.3 32.3 8.5 49 51 A R E +AC 8 36A 9 -13,-2.3 -13,-1.4 -2,-0.3 2,-0.5 -0.934 13.3 179.0-137.6 118.8 29.1 32.9 10.9 50 52 A V E -AC 7 35A 5 -43,-2.9 -43,-3.0 -2,-0.4 2,-0.6 -0.968 14.7-157.3-123.2 125.1 29.7 30.5 13.7 51 53 A S E +AC 6 34A 8 -17,-3.1 -18,-2.5 -2,-0.5 -17,-1.5 -0.913 28.8 179.6 -98.5 124.5 32.4 30.9 16.2 52 54 A V E -AC 5 32A 1 -47,-3.2 -47,-2.5 -2,-0.6 2,-0.5 -0.850 38.7-140.4-126.9 161.2 33.3 27.5 17.9 53 55 A E E +AC 4 31A 85 -22,-2.7 -22,-2.8 -2,-0.3 -49,-0.2 -0.989 45.0 161.7-108.7 124.0 35.4 25.6 20.3 54 56 A I - 0 0 10 -51,-2.5 2,-0.3 -2,-0.5 -25,-0.1 -0.998 46.3 -97.4-148.2 143.2 36.3 22.3 18.6 55 57 A P 0 0 93 0, 0.0 -25,-0.1 0, 0.0 -52,-0.0 -0.502 360.0 360.0 -59.9 122.3 38.8 19.4 18.9 56 58 A V 0 0 102 -2,-0.3 -53,-0.1 2,-0.0 4,-0.0 0.972 360.0 360.0 -73.1 360.0 41.7 20.0 16.3 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 62 A N > 0 0 147 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-147.7 42.2 19.9 7.9 59 63 A D H > + 0 0 68 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.482 360.0 75.4 -74.7 -6.1 40.2 16.7 7.4 60 64 A F H > S+ 0 0 28 2,-0.2 4,-3.4 3,-0.2 5,-0.3 0.949 92.5 47.6 -61.5 -55.4 37.5 19.2 8.7 61 65 A N H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.879 112.3 52.1 -52.1 -39.8 37.4 21.0 5.3 62 66 A S H X S+ 0 0 94 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.964 116.0 36.4 -63.4 -56.3 37.1 17.6 3.6 63 67 A A H X S+ 0 0 44 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.855 117.7 51.2 -65.5 -41.9 34.2 16.3 5.7 64 68 A F H X S+ 0 0 0 -4,-3.4 4,-1.8 2,-0.2 5,-0.2 0.925 104.5 57.7 -65.2 -41.8 32.4 19.6 5.9 65 69 A G H X S+ 0 0 16 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.885 102.9 54.6 -54.7 -41.6 32.6 20.1 2.1 66 70 A K H < S+ 0 0 75 -4,-1.3 4,-0.5 1,-0.2 3,-0.5 0.939 107.9 50.0 -57.6 -46.3 30.8 16.8 1.7 67 71 A V H < S+ 0 0 32 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.848 121.2 32.6 -62.2 -34.5 27.9 18.1 3.9 68 72 A V H ><>S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.1 5,-1.4 0.412 86.2 99.8-109.7 0.6 27.5 21.4 2.0 69 73 A E G ><5S+ 0 0 92 -4,-1.5 3,-2.4 -3,-0.5 -1,-0.1 0.952 82.7 57.5 -43.8 -53.8 28.4 20.3 -1.6 70 74 A K G 3 5S+ 0 0 118 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.617 103.5 51.5 -57.8 -20.8 24.7 20.2 -2.3 71 75 A Y G < 5S- 0 0 17 -3,-1.7 -59,-2.0 2,-0.0 -1,-0.3 0.362 106.1-122.6 -97.3 5.3 24.2 23.8 -1.3 72 76 A N T < 5 + 0 0 138 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.841 53.2 178.8 47.7 38.5 27.0 25.1 -3.6 73 77 A A < - 0 0 17 -5,-1.4 2,-0.3 -8,-0.1 -62,-0.2 -0.349 26.5-159.8 -67.3 140.9 28.4 26.6 -0.4 74 78 A E E +B 10 0A 119 -64,-2.4 -64,-2.3 -3,-0.1 2,-0.3 -0.930 24.9 168.3-105.9 150.8 31.6 28.6 -0.1 75 79 A W E -B 9 0A 61 -2,-0.3 2,-0.4 -66,-0.2 -66,-0.2 -0.977 30.1-147.6-157.4 171.8 33.2 28.7 3.3 76 80 A W E -B 8 0A 89 -68,-1.9 -68,-2.2 -2,-0.3 2,-0.6 -0.992 9.7-168.9-149.8 124.6 36.2 29.7 5.4 77 81 A F E +B 7 0A 34 -2,-0.4 -70,-0.2 -70,-0.2 -16,-0.1 -0.882 22.5 161.8-126.6 97.5 37.3 27.8 8.5 78 82 A R E -B 6 0A 90 -72,-2.5 -72,-2.9 -2,-0.6 2,-0.1 -0.925 37.4-116.8-129.2 144.6 40.0 29.6 10.5 79 83 A P E > -B 5 0A 28 0, 0.0 3,-1.3 0, 0.0 -74,-0.3 -0.469 20.4-131.6 -70.3 144.1 41.5 29.7 13.9 80 84 A R T 3 S+ 0 0 134 -76,-1.9 -75,-0.1 1,-0.3 -78,-0.1 0.828 106.3 75.7 -62.4 -34.0 41.2 32.8 16.0 81 85 A T T 3 S+ 0 0 83 -77,-0.5 -1,-0.3 -80,-0.3 -76,-0.1 0.855 74.4 97.0 -28.0 -54.0 44.9 32.1 16.5 82 86 A D < - 0 0 95 -3,-1.3 2,-0.6 1,-0.1 28,-0.1 -0.247 62.4-156.5 -64.8 132.3 45.6 33.4 13.0 83 87 A R - 0 0 110 28,-0.0 28,-0.2 29,-0.0 -1,-0.1 -0.968 18.8-129.9-108.0 111.3 46.7 37.0 12.8 84 88 A K - 0 0 26 -2,-0.6 28,-3.2 26,-0.4 2,-0.5 -0.286 19.2-122.2 -57.0 143.4 45.9 38.5 9.4 85 89 A K E -d 112 0B 68 75,-0.3 77,-3.0 26,-0.2 78,-1.7 -0.821 34.3-166.3 -95.2 131.1 48.8 40.3 7.7 86 90 A V E -de 113 163B 0 26,-3.0 28,-1.5 -2,-0.5 29,-1.1 -0.956 20.3-163.1-130.0 131.5 48.0 43.9 7.0 87 91 A V E -de 115 164B 0 76,-2.5 78,-2.7 -2,-0.4 2,-0.4 -0.970 15.6-161.3-107.3 130.9 49.5 46.7 4.9 88 92 A I E -de 116 165B 0 27,-1.9 29,-2.1 -2,-0.5 2,-0.4 -0.940 1.9-158.4-114.0 129.6 48.3 50.2 5.7 89 93 A X E +de 117 166B 0 76,-3.2 78,-3.0 -2,-0.4 2,-0.3 -0.880 16.1 173.0-112.3 144.5 48.8 53.0 3.2 90 94 A V E -d 118 0B 0 27,-2.2 29,-0.8 -2,-0.4 30,-0.4 -0.981 16.9-169.6-150.8 147.6 48.8 56.7 4.2 91 95 A S - 0 0 4 77,-0.6 29,-0.1 76,-0.5 78,-0.1 0.084 66.3 -45.0-111.1-129.8 49.5 60.2 2.7 92 96 A K S S+ 0 0 51 1,-0.2 2,-1.0 76,-0.1 77,-0.1 0.749 122.4 70.5 -81.5 -23.3 49.8 63.5 4.6 93 97 A F + 0 0 103 75,-0.4 3,-0.4 1,-0.1 -2,-0.3 -0.774 57.4 168.1-102.5 98.5 46.8 63.0 6.8 94 98 A D > + 0 0 3 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.262 41.0 106.2-101.4 14.2 47.8 60.2 9.3 95 99 A H H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.847 84.1 49.7 -61.1 -35.1 45.0 60.3 12.0 96 100 A C H > S+ 0 0 1 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.955 110.3 49.8 -70.5 -46.6 43.5 57.1 10.7 97 101 A L H > S+ 0 0 0 70,-0.4 4,-2.8 -4,-0.3 -2,-0.2 0.935 112.6 48.3 -51.3 -50.5 46.9 55.3 10.7 98 102 A G H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.892 107.9 53.7 -62.1 -39.8 47.5 56.5 14.3 99 103 A D H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.962 113.2 44.3 -59.6 -43.7 44.0 55.3 15.4 100 104 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.932 114.7 48.4 -65.6 -46.7 44.8 51.8 14.0 101 105 A L H X S+ 0 0 1 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.914 110.9 48.0 -66.7 -40.4 48.3 51.7 15.4 102 106 A Y H X S+ 0 0 13 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.948 115.3 46.3 -63.4 -45.6 47.4 52.8 19.0 103 107 A R H X>S+ 0 0 19 -4,-1.9 5,-2.0 -5,-0.3 6,-1.1 0.859 111.8 52.2 -64.2 -40.2 44.5 50.3 19.1 104 108 A H H ><5S+ 0 0 44 -4,-2.5 3,-0.7 4,-0.2 -1,-0.2 0.936 109.1 49.7 -52.7 -52.4 46.9 47.7 17.7 105 109 A R H 3<5S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 108.0 53.5 -61.1 -31.6 49.4 48.5 20.4 106 110 A L H 3<5S- 0 0 56 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.702 118.2-112.6 -77.8 -17.9 46.6 48.1 23.0 107 111 A G T <<5S+ 0 0 51 -4,-1.0 -3,-0.2 -3,-0.7 3,-0.2 0.487 87.1 115.0 103.2 4.8 45.7 44.6 21.7 108 112 A E S - 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.255 31.7-107.1 -76.7 165.6 58.4 60.4 3.8 122 126 A R G > S+ 0 0 116 1,-0.3 3,-1.8 2,-0.2 14,-0.0 0.842 116.5 64.8 -56.5 -39.0 58.4 59.1 7.4 123 127 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.693 92.9 65.1 -55.1 -23.7 59.5 62.5 8.8 124 128 A A G < S+ 0 0 58 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.738 81.7 99.5 -78.5 -18.3 56.1 63.8 7.5 125 129 A L < - 0 0 27 -3,-1.8 -32,-0.1 -4,-0.4 -33,-0.1 -0.391 51.1-168.0 -67.0 141.9 54.1 61.7 9.9 126 130 A S + 0 0 35 -2,-0.1 -1,-0.1 546,-0.0 545,-0.1 0.612 66.4 98.5 -93.4 -24.8 52.7 63.1 13.2 127 131 A V - 0 0 14 1,-0.1 3,-0.1 544,-0.0 -32,-0.1 -0.314 56.9-166.1 -53.8 142.9 51.9 59.6 14.3 128 132 A S + 0 0 41 565,-0.1 3,-0.3 1,-0.1 -1,-0.1 0.282 67.1 82.1-110.2 5.9 54.6 58.2 16.7 129 133 A L + 0 0 12 1,-0.2 3,-0.1 564,-0.1 -1,-0.1 0.295 50.9 101.2-110.9 11.4 53.6 54.6 16.7 130 134 A V > + 0 0 5 1,-0.2 3,-2.4 -3,-0.1 -1,-0.2 0.894 50.4 158.4 -61.0 -40.5 55.2 53.1 13.5 131 135 A G T 3 S- 0 0 26 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.0 -0.271 70.4 -16.9 59.9-132.6 58.0 51.6 15.6 132 136 A D T 3 S+ 0 0 168 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.183 96.3 127.6 -91.8 10.9 59.7 48.7 13.8 133 137 A I S < S- 0 0 25 -3,-2.4 -19,-0.1 1,-0.1 -18,-0.1 -0.565 76.0-101.9 -66.6 129.5 56.9 48.2 11.2 134 138 A P - 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