==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-SEP-05 2C2S . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.W.LEUNG,R.C.REYNOLDS,J.M.RIORDAN,D.W.BORHANI . 372 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 12.4 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 1 1 0 1 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 . 3 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 1 A V 0 0 67 0, 0.0 3,-0.1 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 123.8 -9.1 11.2 4.2 2 2 A G + 0 0 71 1,-0.2 128,-0.8 127,-0.1 2,-0.3 0.544 360.0 19.4 -88.8 -10.6 -8.5 9.1 1.1 3 3 A S E -a 130 0A 38 126,-0.1 109,-0.3 2,-0.0 2,-0.3 -0.990 58.4-162.1-159.3 151.9 -6.3 11.5 -0.7 4 4 A L E -a 131 0A 2 126,-1.5 128,-1.8 -2,-0.3 2,-0.4 -0.886 8.8-149.4-126.9 160.6 -4.2 14.5 -0.3 5 5 A N E -ab 132 113A 7 107,-1.5 109,-3.0 -2,-0.3 2,-0.4 -0.996 4.3-162.8-129.9 139.3 -2.8 17.2 -2.6 6 6 A C E -ab 133 114A 1 126,-2.8 128,-3.1 -2,-0.4 2,-0.4 -0.938 7.1-168.2-108.2 148.7 0.5 19.2 -2.3 7 7 A I E +a 134 0A 5 107,-2.2 2,-0.3 -2,-0.4 128,-0.2 -0.995 17.3 151.3-141.1 130.6 1.0 22.5 -4.3 8 8 A V E -a 135 0A 9 126,-2.3 128,-2.7 -2,-0.4 2,-0.4 -0.976 36.6-139.6-150.3 154.7 4.3 24.2 -4.7 9 9 A A E -a 136 0A 14 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.992 32.6-177.3-117.7 129.7 6.4 26.5 -7.0 10 10 A V E -a 137 0A 0 126,-2.9 128,-3.4 -2,-0.4 6,-0.2 -0.973 20.5-132.0-133.1 141.3 10.1 25.5 -7.2 11 11 A S E > -a 138 0A 2 4,-2.1 3,-2.0 -2,-0.3 130,-0.2 -0.366 40.5 -96.1 -82.8 173.7 13.2 26.9 -9.0 12 12 A Q T 3 S+ 0 0 135 128,-2.3 129,-0.2 126,-0.5 127,-0.1 0.838 128.1 51.8 -58.9 -35.9 15.7 24.8 -11.0 13 13 A N T 3 S- 0 0 49 127,-0.3 -1,-0.3 129,-0.1 131,-0.1 0.106 125.0-104.5 -89.1 20.3 17.9 24.5 -7.9 14 14 A M < + 0 0 51 -3,-2.0 134,-2.7 1,-0.2 2,-0.2 0.625 68.2 154.9 68.7 20.0 14.9 23.3 -5.9 15 15 A G E +I 147 0B 0 132,-0.2 -4,-2.1 127,-0.1 132,-0.3 -0.553 21.1 166.2 -81.9 141.8 14.3 26.6 -4.0 16 16 A I E + 0 0 23 130,-2.9 2,-0.3 1,-0.3 131,-0.2 0.483 63.9 24.4-122.9 -14.7 10.9 27.6 -2.6 17 17 A G E -I 146 0B 9 129,-1.6 128,-2.8 5,-0.2 129,-1.4 -0.992 45.7-176.5-154.0 157.0 11.8 30.5 -0.3 18 18 A K B > S-J 21 0C 40 3,-2.6 3,-1.6 -2,-0.3 126,-0.1 -0.898 79.1 -13.1-154.1 123.0 14.3 33.3 0.5 19 19 A N T 3 S- 0 0 75 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.819 128.1 -51.6 54.3 37.8 14.1 35.7 3.4 20 20 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.613 128.3 68.0 80.3 13.3 10.5 34.8 4.3 21 21 A D B < S-J 18 0C 118 -3,-1.6 -3,-2.6 1,-0.0 -1,-0.3 -0.733 96.0 -59.5-144.6-173.0 9.2 35.3 0.7 22 22 A L - 0 0 73 -5,-0.2 -5,-0.2 -2,-0.2 -6,-0.1 -0.455 37.4-132.6 -76.0 149.5 9.6 33.8 -2.8 23 23 A P S S+ 0 0 21 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.763 90.5 50.0 -70.9 -22.1 13.0 33.6 -4.4 24 24 A W S S- 0 0 11 1,-0.1 -2,-0.1 118,-0.1 3,-0.1 -0.682 103.1 -83.1-110.7 164.6 11.7 35.1 -7.7 25 25 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.264 65.4 -79.7 -62.9 155.9 9.5 38.2 -8.4 26 26 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.349 40.8-153.8 -66.7 136.8 5.8 37.7 -7.9 27 27 A L > - 0 0 8 1,-0.2 4,-2.4 -3,-0.1 5,-0.2 -0.946 2.5-159.4-114.3 109.9 4.1 36.0 -10.9 28 28 A R H > S+ 0 0 84 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.887 88.1 42.5 -62.5 -49.7 0.4 37.0 -11.0 29 29 A N H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.805 112.1 56.2 -72.1 -25.7 -1.0 34.2 -13.1 30 30 A E H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 110.2 45.6 -67.4 -42.9 1.1 31.6 -11.2 31 31 A F H X S+ 0 0 100 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.904 109.9 53.8 -61.4 -45.5 -0.5 32.9 -8.0 32 32 A R H X S+ 0 0 145 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.864 106.6 53.0 -61.9 -33.2 -3.9 32.9 -9.7 33 33 A Y H X S+ 0 0 9 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.947 108.0 49.8 -63.8 -48.9 -3.3 29.2 -10.5 34 34 A F H X S+ 0 0 35 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.930 113.2 47.8 -52.4 -46.1 -2.5 28.4 -6.9 35 35 A Q H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.938 113.0 47.1 -62.6 -46.9 -5.8 30.2 -5.9 36 36 A R H X S+ 0 0 110 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.921 114.9 45.6 -62.6 -48.4 -7.9 28.4 -8.5 37 37 A M H < S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.939 119.0 39.0 -63.4 -43.3 -6.5 25.0 -7.7 38 38 A T H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.778 121.8 42.1 -80.7 -25.2 -6.8 25.3 -3.9 39 39 A T H < S+ 0 0 46 -4,-2.1 9,-0.4 -5,-0.3 2,-0.3 0.811 87.4 99.9 -91.0 -33.3 -10.1 27.2 -3.8 40 40 A T < + 0 0 85 -4,-2.0 2,-0.3 -5,-0.3 71,-0.1 -0.409 36.4 153.5 -71.6 123.3 -12.2 25.4 -6.4 41 41 A S - 0 0 33 -2,-0.3 5,-0.1 5,-0.1 7,-0.0 -0.959 27.1-167.4-141.3 125.6 -14.7 22.8 -5.2 42 42 A S + 0 0 124 -2,-0.3 2,-0.8 2,-0.1 -2,-0.0 0.306 60.5 108.9 -91.1 11.6 -17.9 21.9 -7.1 43 43 A V S > S- 0 0 61 3,-0.1 3,-1.8 1,-0.0 2,-0.1 -0.781 73.5-129.2 -92.3 108.3 -19.3 20.1 -4.0 44 44 A E T 3 S+ 0 0 190 -2,-0.8 3,-0.1 1,-0.2 -2,-0.1 -0.310 88.2 20.9 -59.0 134.8 -22.1 22.2 -2.7 45 45 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.344 108.7 90.4 91.0 -6.0 -21.9 22.9 1.0 46 46 A K < - 0 0 78 -3,-1.8 2,-0.3 -5,-0.1 -1,-0.3 -0.797 52.2-161.3-123.4 159.5 -18.2 22.2 1.3 47 47 A Q E -c 109 0A 89 61,-2.4 63,-2.5 -2,-0.3 2,-0.2 -0.921 29.4-103.9-128.7 159.9 -14.9 24.1 1.1 48 48 A N E - 0 0 0 21,-0.5 23,-2.5 -9,-0.4 2,-0.4 -0.530 30.1-132.3 -81.5 156.6 -11.4 23.0 0.6 49 49 A L E -cd 112 71A 0 62,-2.8 64,-2.8 21,-0.2 2,-0.5 -0.924 12.6-158.1-110.5 129.5 -8.9 22.9 3.5 50 50 A V E -cd 113 72A 0 21,-2.9 23,-2.7 -2,-0.4 2,-0.4 -0.944 6.8-162.9-108.3 133.1 -5.4 24.4 3.2 51 51 A I E +cd 114 73A 0 62,-2.5 64,-2.5 -2,-0.5 65,-0.4 -0.951 19.4 159.6-113.9 132.5 -2.8 23.1 5.6 52 52 A M E - d 0 74A 0 21,-2.0 23,-2.8 -2,-0.4 65,-0.3 -0.986 37.2-104.4-149.5 158.9 0.5 25.0 6.2 53 53 A G E > - d 0 75A 13 63,-2.0 4,-2.1 -2,-0.3 23,-0.1 -0.254 41.7-102.8 -74.8 170.5 3.3 25.5 8.6 54 54 A K H > S+ 0 0 74 21,-0.6 4,-2.2 2,-0.2 5,-0.2 0.894 119.3 50.2 -67.3 -41.0 3.7 28.5 10.9 55 55 A K H > S+ 0 0 178 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.911 109.6 51.6 -65.8 -39.7 6.3 30.4 8.8 56 56 A T H >> S+ 0 0 33 2,-0.2 3,-0.6 1,-0.2 4,-0.6 0.941 108.0 53.7 -61.1 -45.4 4.2 29.9 5.7 57 57 A W H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.949 110.4 45.2 -52.9 -51.5 1.2 31.4 7.5 58 58 A F H 3< S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.665 102.3 67.0 -75.7 -9.6 3.2 34.5 8.6 59 59 A S H << S+ 0 0 61 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.624 83.6 89.4 -78.8 -13.8 4.6 34.9 5.1 60 60 A I S << S- 0 0 23 -3,-1.7 5,-0.1 -4,-0.6 -39,-0.0 -0.680 94.6-105.1 -81.6 132.1 1.0 35.6 3.8 61 61 A P > - 0 0 74 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.358 27.9-120.1 -56.5 139.0 0.2 39.4 4.0 62 62 A E G > S+ 0 0 108 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.851 112.9 57.0 -48.2 -44.8 -2.1 40.2 6.9 63 63 A K G 3 S+ 0 0 188 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.673 108.3 47.8 -66.3 -17.7 -4.8 41.6 4.6 64 64 A N G < S+ 0 0 83 -3,-2.3 4,-0.3 3,-0.0 -1,-0.3 0.332 89.5 134.3-103.7 2.6 -4.9 38.3 2.7 65 65 A R < + 0 0 37 -3,-1.6 2,-0.2 -4,-0.4 21,-0.1 -0.878 58.3 36.4-101.0 137.2 -5.1 36.0 5.9 66 66 A P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.647 103.7-111.5 -69.7 160.6 -6.9 33.7 6.2 67 67 A L > - 0 0 14 -2,-0.2 3,-1.2 1,-0.1 -2,-0.1 -0.433 46.4-111.8 -58.1 122.3 -6.8 32.6 2.5 68 68 A K T 3 S+ 0 0 159 -4,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.219 91.3 15.0 -65.7 148.1 -10.3 33.5 1.3 69 69 A G T 3 S+ 0 0 40 1,-0.2 -21,-0.5 -3,-0.1 2,-0.3 0.546 110.7 87.7 73.2 5.2 -12.8 30.8 0.4 70 70 A R S < S- 0 0 3 -3,-1.2 2,-0.5 -23,-0.1 -21,-0.2 -0.956 82.2-113.6-135.2 145.7 -10.8 28.0 2.1 71 71 A I E -d 49 0A 10 -23,-2.5 -21,-2.9 -2,-0.3 2,-0.6 -0.761 37.5-145.1 -77.7 125.6 -10.6 26.6 5.7 72 72 A N E -d 50 0A 0 -2,-0.5 15,-1.7 -23,-0.2 16,-1.6 -0.897 20.2-179.6-105.2 121.0 -7.1 27.5 7.0 73 73 A L E -de 51 88A 0 -23,-2.7 -21,-2.0 -2,-0.6 2,-0.4 -0.968 9.8-158.1-122.4 128.3 -5.3 25.1 9.3 74 74 A V E -de 52 89A 0 14,-2.4 16,-2.0 -2,-0.4 2,-0.5 -0.896 9.5-140.4-108.9 138.3 -1.9 25.8 10.7 75 75 A L E +de 53 90A 23 -23,-2.8 -21,-0.6 -2,-0.4 2,-0.3 -0.829 35.4 148.5 -94.0 130.6 0.5 23.2 12.0 76 76 A S - 0 0 13 14,-2.3 16,-0.1 -2,-0.5 -2,-0.0 -0.936 38.7-160.4-156.8 141.8 2.5 24.0 15.1 77 77 A R S S+ 0 0 203 -2,-0.3 14,-0.1 1,-0.1 -1,-0.1 0.540 98.1 42.4 -89.4 -11.0 4.0 22.1 18.0 78 78 A E S S+ 0 0 169 13,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.765 89.5 88.3-110.5 -32.1 4.3 25.2 20.1 79 79 A L - 0 0 57 1,-0.1 -3,-0.1 12,-0.0 10,-0.0 -0.364 53.9-159.3 -70.8 148.8 1.1 27.3 19.6 80 80 A K S S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 9,-0.1 0.705 78.8 18.3 -97.2 -25.7 -1.8 26.7 21.9 81 81 A E S S- 0 0 149 7,-0.1 -1,-0.2 9,-0.0 3,-0.1 -0.937 99.9 -78.2-138.7 161.9 -4.4 28.2 19.6 82 82 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 7,-0.1 -0.231 57.1 -96.8 -59.6 150.0 -4.5 29.1 15.9 83 83 A P > - 0 0 3 0, 0.0 3,-2.4 0, 0.0 -9,-0.1 -0.313 63.8 -70.8 -62.0 154.2 -2.6 32.3 14.9 84 84 A Q T 3 S+ 0 0 155 1,-0.3 3,-0.1 -3,-0.1 -19,-0.0 -0.235 124.7 17.8 -56.7 123.8 -5.0 35.3 14.7 85 85 A G T 3 S+ 0 0 37 1,-0.4 -1,-0.3 -3,-0.1 -13,-0.2 -0.014 97.4 114.8 105.0 -25.8 -7.2 34.8 11.6 86 86 A A < - 0 0 15 -3,-2.4 -1,-0.4 1,-0.1 -13,-0.1 -0.408 58.5-145.7 -77.8 152.0 -6.6 31.1 11.2 87 87 A H S S+ 0 0 90 -15,-1.7 2,-0.3 1,-0.2 -14,-0.2 0.818 71.7 10.0 -87.5 -34.7 -9.5 28.7 11.6 88 88 A F E -e 73 0A 36 -16,-1.6 -14,-2.4 -7,-0.1 2,-0.4 -0.969 55.1-152.3-148.4 157.9 -7.7 25.6 13.2 89 89 A L E +e 74 0A 38 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.998 15.3 177.2-134.0 133.7 -4.5 24.4 14.7 90 90 A S E -e 75 0A 10 -16,-2.0 -14,-2.3 -2,-0.4 3,-0.1 -0.949 31.7-138.6-134.2 158.0 -3.0 20.9 14.7 91 91 A R S S+ 0 0 99 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.608 87.0 7.2 -83.9 -17.9 0.3 19.4 16.0 92 92 A S S > S- 0 0 30 1,-0.1 4,-2.3 -16,-0.1 -1,-0.2 -0.974 74.5-105.5-156.6 163.1 0.7 17.1 13.0 93 93 A L H > S+ 0 0 2 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.920 120.4 51.9 -57.8 -49.4 -0.7 16.2 9.5 94 94 A D H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 110.9 48.0 -58.3 -41.4 -2.3 13.0 10.9 95 95 A D H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 110.9 52.7 -62.2 -43.2 -4.0 15.1 13.7 96 96 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.923 109.1 48.3 -55.6 -47.9 -5.1 17.6 11.0 97 97 A L H < S+ 0 0 8 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.865 110.8 50.7 -68.6 -33.8 -6.7 14.9 8.9 98 98 A K H >< S+ 0 0 117 -4,-2.1 3,-1.4 -5,-0.2 4,-0.3 0.859 103.0 61.2 -66.9 -34.9 -8.5 13.4 11.9 99 99 A L H >< S+ 0 0 57 -4,-2.0 3,-1.6 1,-0.3 6,-0.5 0.864 93.3 64.1 -59.6 -35.5 -9.8 16.8 12.8 100 100 A T T 3< S+ 0 0 9 -4,-1.1 8,-0.3 1,-0.3 9,-0.3 0.710 101.9 51.1 -64.6 -18.2 -11.7 17.0 9.5 101 101 A E T < S+ 0 0 123 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.369 86.0 99.9-103.1 1.5 -13.9 14.0 10.5 102 102 A Q S <> S- 0 0 98 -3,-1.6 4,-2.1 -4,-0.3 3,-0.4 -0.426 94.5 -91.6 -81.0 165.4 -15.0 15.3 13.9 103 103 A P T 4 S+ 0 0 115 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.823 120.6 55.3 -52.0 -40.8 -18.5 16.9 14.0 104 104 A E T 4 S+ 0 0 149 1,-0.2 3,-0.2 2,-0.1 -4,-0.1 0.944 124.7 22.9 -59.2 -48.1 -17.5 20.5 13.3 105 105 A L T >> S+ 0 0 7 -6,-0.5 3,-2.4 -3,-0.4 4,-1.0 0.536 94.7 103.4 -95.8 -7.9 -15.7 19.7 10.0 106 106 A A T 3< S+ 0 0 40 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.814 95.4 23.7 -45.7 -50.1 -17.4 16.4 9.1 107 107 A N T 34 S+ 0 0 127 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.091 117.1 68.9-106.5 23.8 -19.7 17.7 6.5 108 108 A K T <4 S+ 0 0 46 -3,-2.4 -61,-2.4 -8,-0.3 2,-0.4 0.631 76.8 77.4-120.1 -20.7 -17.7 20.8 5.6 109 109 A V E < + c 0 47A 20 -4,-1.0 -61,-0.2 -9,-0.3 3,-0.1 -0.867 37.3 166.0-108.5 129.2 -14.4 19.8 3.9 110 110 A D E + 0 0 61 -63,-2.5 2,-0.2 -2,-0.4 -62,-0.2 0.672 65.0 13.2 -95.2 -97.6 -13.9 18.7 0.3 111 111 A M E - 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0 0 2 4,-2.3 3,-2.1 -2,-0.4 130,-0.2 -0.220 39.7 -97.8 -78.9 170.3 24.0 32.9 14.2 199 12 B Q T 3 S+ 0 0 131 128,-2.3 129,-0.2 126,-0.4 -1,-0.1 0.837 127.2 53.0 -59.8 -33.7 21.8 30.7 11.9 200 13 B N T 3 S- 0 0 54 127,-0.3 -1,-0.3 129,-0.1 131,-0.1 0.066 125.8-103.2 -89.7 21.4 21.4 28.3 14.8 201 14 B M < + 0 0 53 -3,-2.1 134,-2.8 1,-0.2 2,-0.2 0.577 68.8 155.6 70.5 17.8 20.2 31.2 17.1 202 15 B G E +S 334 0E 0 132,-0.2 -4,-2.3 127,-0.1 132,-0.3 -0.503 20.4 163.8 -78.3 138.7 23.5 31.4 19.0 203 16 B I E + 0 0 20 130,-2.9 2,-0.3 1,-0.3 131,-0.2 0.526 64.7 25.4-122.9 -14.9 24.6 34.7 20.7 204 17 B G E -S 333 0E 9 129,-1.5 128,-2.8 5,-0.2 129,-1.5 -0.989 46.6-174.7-152.6 154.0 27.4 33.5 23.1 205 18 B K B > S-T 208 0F 70 3,-2.8 3,-1.7 -2,-0.3 126,-0.1 -0.914 78.9 -18.8-150.7 119.3 30.0 30.8 23.7 206 19 B N T 3 S- 0 0 128 -2,-0.3 3,-0.1 1,-0.3 125,-0.0 0.870 126.8 -49.6 52.6 43.5 32.1 30.5 26.8 207 20 B G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.583 128.2 67.3 77.0 9.6 31.5 34.1 27.9 208 21 B D B < S-T 205 0F 115 -3,-1.7 -3,-2.8 1,-0.0 -1,-0.3 -0.750 96.8 -62.2-140.7-173.2 32.4 35.7 24.5 209 22 B L - 0 0 85 -5,-0.2 -5,-0.2 -2,-0.2 -6,-0.1 -0.477 38.4-129.5 -74.9 149.9 30.9 35.7 20.9 210 23 B P S S+ 0 0 22 0, 0.0 120,-0.2 0, 0.0 -1,-0.1 0.712 90.8 50.7 -70.1 -20.6 30.6 32.4 19.0 211 24 B W S S- 0 0 11 1,-0.1 -2,-0.1 118,-0.1 3,-0.1 -0.706 100.4 -86.1-112.6 161.4 32.3 33.9 15.9 212 25 B P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.261 65.8 -73.4 -60.9 159.4 35.5 35.8 15.5 213 26 B P - 0 0 105 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.287 41.9-158.0 -60.3 136.1 35.4 39.6 16.0 214 27 B L > - 0 0 9 1,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.933 2.6-163.5-119.2 104.4 33.7 41.5 13.2 215 28 B R H > S+ 0 0 77 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.880 86.2 43.4 -60.3 -48.2 34.9 45.1 13.3 216 29 B N H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.805 111.9 54.7 -71.8 -29.3 32.2 46.8 11.1 217 30 B E H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.932 110.1 47.3 -66.5 -45.8 29.5 44.8 12.8 218 31 B F H X S+ 0 0 108 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.896 109.5 53.6 -56.2 -44.1 30.8 46.1 16.2 219 32 B R H X S+ 0 0 137 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.845 105.9 53.5 -63.8 -31.7 30.9 49.7 14.7 220 33 B Y H X S+ 0 0 9 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.932 109.3 48.1 -65.3 -48.1 27.2 49.3 13.6 221 34 B F H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.925 112.6 49.4 -54.7 -47.5 26.3 48.4 17.2 222 35 B Q H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.926 113.2 46.3 -60.4 -45.1 28.4 51.4 18.5 223 36 B R H X S+ 0 0 111 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.935 114.8 45.5 -63.9 -50.0 26.7 53.8 16.0 224 37 B M H < S+ 0 0 26 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 118.5 40.8 -63.0 -46.1 23.1 52.6 16.7 225 38 B T H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.788 119.9 43.1 -75.5 -26.9 23.4 52.6 20.5 226 39 B T H < S+ 0 0 46 -4,-2.1 2,-0.5 -5,-0.3 9,-0.3 0.789 87.5 97.3 -89.7 -30.1 25.4 55.8 20.8 227 40 B T < - 0 0 85 -4,-2.0 2,-0.3 -5,-0.3 71,-0.1 -0.479 55.0-168.3 -74.2 115.3 23.6 58.1 18.4 228 41 B S - 0 0 34 -2,-0.5 3,-0.1 5,-0.1 4,-0.1 -0.697 22.1-153.8 -95.6 150.4 21.1 60.3 20.2 229 42 B S S S+ 0 0 99 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.613 82.0 72.0 -86.5 -22.5 18.4 62.5 18.4 230 43 B V S > S- 0 0 54 3,-0.0 3,-1.8 2,-0.0 -1,-0.1 -0.862 82.8-133.9-108.3 106.9 18.3 64.9 21.3 231 44 B E T 3 S+ 0 0 103 -2,-0.8 3,-0.1 1,-0.2 -2,-0.1 -0.359 95.1 29.4 -50.4 134.0 21.3 67.2 21.7 232 45 B G T 3 S+ 0 0 83 1,-0.3 2,-0.3 -4,-0.1 -1,-0.2 0.468 105.4 91.4 89.4 1.0 22.2 67.2 25.4 233 46 B K < - 0 0 61 -3,-1.8 2,-0.3 63,-0.0 -1,-0.3 -0.890 59.7-146.9-124.6 155.0 21.0 63.7 26.1 234 47 B Q E -m 296 0D 82 61,-2.5 63,-2.3 -2,-0.3 2,-0.2 -0.857 23.9-111.9-113.2 155.0 22.7 60.3 26.1 235 48 B N E - n 0 257D 0 21,-0.5 23,-2.7 -9,-0.3 2,-0.5 -0.527 28.3-129.0 -78.2 153.1 21.2 57.0 25.2 236 49 B L E -mn 299 258D 0 62,-2.8 64,-3.0 21,-0.2 2,-0.4 -0.934 14.6-158.7-103.0 132.1 20.8 54.3 27.9 237 50 B V E -mn 300 259D 0 21,-3.0 23,-2.5 -2,-0.5 2,-0.4 -0.939 6.7-163.2-107.9 131.0 22.1 50.7 27.4 238 51 B I E +mn 301 260D 0 62,-2.6 64,-2.6 -2,-0.4 65,-0.4 -0.964 19.0 159.7-114.6 132.6 20.6 48.0 29.6 239 52 B M E - n 0 261D 0 21,-2.0 23,-2.7 -2,-0.4 65,-0.3 -0.980 36.9-106.4-149.0 157.2 22.3 44.6 30.0 240 53 B G E > - n 0 262D 9 63,-2.2 4,-2.3 -2,-0.3 23,-0.1 -0.280 41.8-100.0 -80.4 175.7 22.5 41.6 32.2 241 54 B K H > S+ 0 0 80 21,-0.7 4,-2.2 1,-0.2 5,-0.1 0.881 119.4 50.4 -72.6 -39.4 25.3 40.9 34.6 242 55 B K H > S+ 0 0 181 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.895 110.1 52.0 -66.3 -39.9 27.1 38.3 32.5 243 56 B T H >> S+ 0 0 35 2,-0.2 3,-0.8 1,-0.2 4,-0.7 0.941 107.7 53.1 -57.9 -47.3 27.0 40.6 29.5 244 57 B W H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.946 111.1 45.4 -48.5 -55.4 28.6 43.4 31.6 245 58 B F H 3< S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.641 102.5 65.8 -72.5 -12.2 31.4 41.1 32.7 246 59 B S H << S+ 0 0 60 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.625 83.7 91.5 -78.9 -17.2 32.0 40.0 29.1 247 60 B I S << S- 0 0 21 -3,-1.6 5,-0.1 -4,-0.7 -39,-0.0 -0.651 95.1-102.0 -77.7 134.1 33.0 43.5 28.1 248 61 B P > - 0 0 75 0, 0.0 3,-2.6 0, 0.0 4,-0.5 -0.329 28.5-124.2 -54.3 133.3 36.8 44.1 28.4 249 62 B E G > S+ 0 0 136 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.833 111.2 61.0 -51.8 -33.7 37.4 46.0 31.6 250 63 B K G 3 S+ 0 0 100 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.674 107.8 43.8 -67.6 -19.4 39.2 48.7 29.5 251 64 B N G < S+ 0 0 98 -3,-2.6 4,-0.3 3,-0.0 -1,-0.3 0.260 90.4 135.2-109.4 6.1 35.9 49.4 27.5 252 65 B R < + 0 0 49 -3,-1.2 2,-0.1 -4,-0.5 21,-0.1 -0.882 58.8 38.1-100.0 136.4 33.5 49.4 30.5 253 66 B P S S- 0 0 43 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.662 104.6-112.7 -71.2 154.3 31.3 51.4 30.9 254 67 B L > - 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