==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-06 2FZI . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY,J.PACE,K.CHISUM,A.ROSOWSKY . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11505.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.7 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 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 . 1 0 0 0 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 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 M 0 0 199 0, 0.0 105,-0.0 0, 0.0 106,-0.0 0.000 360.0 360.0 360.0 106.1 28.4 15.3 24.6 2 2 A N + 0 0 45 104,-0.1 104,-0.1 103,-0.0 103,-0.1 0.282 360.0 36.0-168.8 -14.7 31.7 13.5 25.1 3 3 A Q S S+ 0 0 112 99,-0.0 100,-0.0 100,-0.0 96,-0.0 -0.098 74.0 110.3-144.7 40.9 30.8 9.8 25.0 4 4 A Q S S+ 0 0 80 2,-0.1 2,-0.2 0, 0.0 -1,-0.0 0.889 71.3 63.1 -82.6 -42.0 28.1 9.3 22.4 5 5 A K S S- 0 0 70 1,-0.1 2,-0.2 114,-0.0 114,-0.1 -0.523 83.8-124.0 -84.9 150.8 30.3 7.5 19.8 6 6 A S - 0 0 42 -2,-0.2 114,-0.6 132,-0.0 2,-0.4 -0.523 22.3-121.8 -89.1 160.4 31.9 4.1 20.5 7 7 A L E -ab 120 138A 0 130,-3.0 132,-1.9 -2,-0.2 133,-0.9 -0.822 17.5-158.1-104.3 145.9 35.6 3.6 20.1 8 8 A T E -ab 121 140A 3 112,-1.9 114,-2.3 -2,-0.4 2,-0.4 -0.983 7.3-150.9-122.8 129.6 37.2 1.0 17.8 9 9 A L E -ab 122 141A 0 131,-3.4 133,-3.1 -2,-0.4 2,-0.4 -0.808 9.2-164.5-100.4 141.5 40.7 -0.3 18.4 10 10 A I E + b 0 142A 4 112,-2.4 2,-0.3 -2,-0.4 133,-0.2 -0.990 19.8 152.5-130.7 128.6 42.9 -1.5 15.5 11 11 A V E - b 0 143A 7 131,-2.6 133,-2.3 -2,-0.4 2,-0.5 -0.999 38.2-141.0-156.1 153.6 46.0 -3.6 15.9 12 12 A A E + b 0 144A 12 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.976 39.0 161.9-115.0 121.0 48.4 -6.2 14.4 13 13 A L E - b 0 145A 0 131,-2.5 133,-2.6 -2,-0.5 6,-0.2 -0.984 34.7-117.3-145.7 153.9 49.6 -8.8 16.9 14 14 A T E > - b 0 146A 3 4,-1.9 3,-2.7 -2,-0.3 133,-0.2 -0.291 45.0 -95.7 -81.5 171.2 51.2 -12.2 17.1 15 15 A T T 3 S+ 0 0 66 131,-1.4 134,-0.1 1,-0.3 -1,-0.1 0.644 130.5 54.9 -61.6 -10.7 49.7 -15.2 18.7 16 16 A S T 3 S- 0 0 53 132,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.150 123.1-108.1-106.3 17.0 51.7 -14.2 21.7 17 17 A Y < + 0 0 12 -3,-2.7 139,-3.0 1,-0.2 2,-0.3 0.625 64.8 157.9 66.0 18.2 50.1 -10.7 21.7 18 18 A G E +I 155 0B 0 137,-0.2 -4,-1.9 1,-0.1 137,-0.2 -0.549 11.2 164.5 -73.6 132.8 53.4 -9.2 20.5 19 19 A I E + 0 0 16 135,-2.3 2,-0.3 -2,-0.3 136,-0.2 0.611 53.5 9.3-124.3 -17.9 52.9 -5.8 18.8 20 20 A G E -I 154 0B 9 134,-1.5 133,-2.2 5,-0.2 134,-1.7 -0.988 40.1-171.2-159.6 168.5 56.2 -4.1 18.5 21 21 A R S S+ 0 0 88 3,-2.5 2,-2.8 -2,-0.3 131,-0.1 0.117 79.3 9.3-126.5-117.1 60.0 -4.0 18.9 22 22 A S S S- 0 0 84 1,-0.2 3,-0.1 3,-0.1 130,-0.0 -0.376 126.7 -62.8 -73.2 70.4 62.4 -1.1 18.7 23 23 A N S S+ 0 0 87 -2,-2.8 2,-0.3 1,-0.2 -1,-0.2 0.849 123.7 76.1 52.2 36.4 59.7 1.5 18.7 24 24 A S S S- 0 0 58 41,-0.0 -3,-2.5 0, 0.0 -1,-0.2 -0.960 95.0 -72.3-160.2 174.4 58.5 -0.0 15.4 25 25 A L - 0 0 84 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.1 -0.660 34.1-143.1 -79.1 124.3 56.6 -2.9 13.8 26 26 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.151 82.9 52.6 -74.4 24.2 58.7 -6.1 13.9 27 27 A W S S- 0 0 19 123,-0.1 2,-0.6 2,-0.0 -2,-0.1 -0.985 73.1-136.8-155.3 151.3 57.4 -7.0 10.5 28 28 A K + 0 0 156 -2,-0.3 2,-0.7 164,-0.1 3,-0.1 -0.789 34.9 159.4-115.5 86.0 57.1 -5.5 7.0 29 29 A L > - 0 0 7 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 -0.847 15.2-179.2-110.8 94.0 53.6 -6.2 5.7 30 30 A K H > S+ 0 0 157 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.863 85.8 50.2 -60.8 -36.4 52.7 -3.8 3.0 31 31 A K H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 107.3 53.2 -69.6 -38.3 49.3 -5.4 2.5 32 32 A E H >> S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.961 109.6 48.6 -60.2 -53.0 48.5 -5.3 6.3 33 33 A I H 3X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.867 107.1 56.7 -55.9 -37.4 49.3 -1.6 6.3 34 34 A S H 3X S+ 0 0 55 -4,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.871 108.1 47.9 -61.5 -37.8 47.0 -1.2 3.2 35 35 A Y H > - 0 0 43 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.203 37.8-121.5 -49.0 132.9 30.1 5.7 3.8 45 45 A T T 34 S+ 0 0 117 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.882 111.5 51.3 -43.5 -53.0 29.9 7.4 0.4 46 46 A F T >4 S+ 0 0 165 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.885 118.2 38.3 -54.8 -42.6 26.8 9.5 1.4 47 47 A D G X> S+ 0 0 61 -3,-0.6 3,-1.4 1,-0.2 4,-1.2 0.650 95.0 87.7 -82.2 -17.8 28.6 10.7 4.5 48 48 A S G 3< S+ 0 0 60 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.670 71.6 76.2 -55.3 -19.9 31.9 11.0 2.6 49 49 A F G <4 S- 0 0 166 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.892 122.9 -3.3 -62.0 -41.5 30.9 14.5 1.6 50 50 A E T <4 S+ 0 0 95 -3,-1.4 66,-3.2 -4,-0.2 2,-0.4 0.126 110.3 99.0-140.5 24.5 31.6 16.0 5.0 51 51 A S E < +c 116 0A 20 -4,-1.2 2,-0.3 64,-0.2 66,-0.2 -0.947 39.2 176.6-122.4 136.6 32.7 13.2 7.3 52 52 A M E -c 117 0A 57 64,-2.6 66,-2.5 -2,-0.4 2,-0.2 -0.956 25.3-122.1-132.3 151.9 36.1 12.0 8.4 53 53 A N E - d 0 75A 0 21,-0.6 23,-2.9 -2,-0.3 2,-0.4 -0.522 24.0-130.0 -89.8 161.2 37.4 9.3 10.8 54 54 A V E -cd 120 76A 0 65,-3.2 67,-3.3 21,-0.2 2,-0.5 -0.871 10.8-159.0-113.2 144.3 39.6 10.0 13.7 55 55 A V E -cd 121 77A 0 21,-2.8 23,-2.0 -2,-0.4 2,-0.4 -0.963 7.3-165.6-125.6 112.4 42.8 8.2 14.6 56 56 A L E +cd 122 78A 0 65,-3.6 67,-3.0 -2,-0.5 68,-0.6 -0.835 18.5 166.6 -96.2 133.3 44.0 8.5 18.2 57 57 A M E -cd 124 79A 0 21,-2.1 23,-3.1 -2,-0.4 68,-0.2 -0.981 34.9-107.6-146.3 156.9 47.5 7.4 18.9 58 58 A G E > - d 0 80A 11 66,-1.7 4,-1.9 -2,-0.3 23,-0.2 -0.329 37.9-107.3 -78.5 165.2 50.1 7.6 21.6 59 59 A R H > S+ 0 0 90 21,-1.1 4,-2.0 2,-0.2 5,-0.2 0.903 117.6 52.3 -61.9 -43.9 53.1 9.9 21.3 60 60 A K H > S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 110.1 48.6 -59.0 -46.7 55.6 7.1 20.7 61 61 A T H > S+ 0 0 33 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.871 108.9 55.1 -61.6 -36.1 53.5 5.6 17.9 62 62 A W H >< S+ 0 0 32 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.899 109.3 45.2 -64.7 -40.2 53.3 9.1 16.4 63 63 A E H 3< S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 106.3 62.7 -74.2 -22.6 57.1 9.4 16.3 64 64 A S H 3< S+ 0 0 42 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.633 84.0 92.1 -76.5 -15.5 57.3 5.9 14.9 65 65 A I S << S- 0 0 24 -3,-0.7 5,-0.1 -4,-0.7 -41,-0.0 -0.720 89.1-111.7 -85.6 123.5 55.4 7.0 11.8 66 66 A P >> - 0 0 65 0, 0.0 3,-3.4 0, 0.0 4,-0.5 -0.294 21.4-124.3 -55.0 127.6 57.6 8.1 8.9 67 67 A L G >4 S+ 0 0 136 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.828 110.9 66.7 -41.0 -39.9 57.3 11.8 8.3 68 68 A Q G 34 S+ 0 0 140 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.807 111.4 32.3 -54.6 -31.3 56.4 10.9 4.7 69 69 A F G <4 S+ 0 0 115 -3,-3.4 -1,-0.3 3,-0.1 -2,-0.2 0.222 99.4 138.5-110.5 12.2 53.2 9.3 5.9 70 70 A R << + 0 0 58 -3,-1.8 2,-0.1 -4,-0.5 -8,-0.0 -0.928 58.3 28.1-113.8 129.8 52.7 11.7 8.8 71 71 A P S S- 0 0 42 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.612 99.7-110.9 -83.9 166.8 50.1 12.8 9.5 72 72 A L > - 0 0 16 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.431 41.2-129.8 -61.5 113.2 47.8 10.0 8.4 73 73 A K T 3 S+ 0 0 144 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.269 82.2 22.1 -69.9 149.8 45.9 11.6 5.4 74 74 A G T 3 S+ 0 0 54 1,-0.2 -21,-0.6 -22,-0.0 2,-0.3 0.579 111.5 85.4 72.4 10.2 42.2 11.6 5.0 75 75 A R E < S-d 53 0A 18 -3,-1.0 2,-0.6 -23,-0.1 -21,-0.2 -0.996 83.3-113.7-142.8 143.7 41.8 11.2 8.8 76 76 A I E -d 54 0A 10 -23,-2.9 -21,-2.8 -2,-0.3 2,-0.3 -0.684 37.3-150.3 -79.3 117.7 41.7 13.5 11.8 77 77 A N E +d 55 0A 9 -2,-0.6 16,-1.1 -23,-0.2 2,-0.4 -0.705 19.0 178.1 -95.3 141.0 44.8 12.8 13.8 78 78 A V E -de 56 93A 0 -23,-2.0 -21,-2.1 -2,-0.3 2,-0.5 -0.960 14.0-154.3-142.2 119.3 45.0 13.3 17.6 79 79 A V E -de 57 94A 10 14,-1.7 16,-2.1 -2,-0.4 2,-0.6 -0.840 11.4-141.5 -98.9 126.2 48.2 12.4 19.6 80 80 A I E +de 58 95A 21 -23,-3.1 -21,-1.1 -2,-0.5 2,-0.3 -0.786 42.8 138.7 -89.1 121.3 47.7 11.5 23.2 81 81 A T - 0 0 21 14,-2.9 16,-0.1 -2,-0.6 3,-0.0 -0.986 46.7-159.2-161.0 153.4 50.6 13.0 25.3 82 82 A R S S+ 0 0 213 -2,-0.3 2,-0.7 1,-0.1 14,-0.1 0.595 78.2 83.6-107.0 -21.4 51.4 14.7 28.6 83 83 A N + 0 0 107 1,-0.0 2,-0.5 13,-0.0 4,-0.1 -0.772 53.3 172.1 -90.6 112.4 54.7 16.2 27.5 84 84 A E + 0 0 150 -2,-0.7 10,-0.0 1,-0.1 -1,-0.0 -0.880 22.3 127.9-125.6 100.2 54.3 19.4 25.5 85 85 A S S S- 0 0 85 -2,-0.5 -1,-0.1 0, 0.0 -2,-0.0 0.752 88.0 -32.5-110.5 -75.6 57.4 21.3 24.7 86 86 A L S S+ 0 0 137 2,-0.1 2,-0.8 0, 0.0 -2,-0.1 -0.028 72.0 162.4-144.2 30.6 57.8 22.3 21.0 87 87 A D - 0 0 92 -4,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.409 30.4-148.9 -59.7 101.8 56.1 19.4 19.3 88 88 A L + 0 0 164 -2,-0.8 2,-0.3 2,-0.0 -2,-0.1 -0.051 28.1 149.6 -66.3 173.8 55.5 20.9 15.8 89 89 A G - 0 0 46 2,-0.0 2,-0.1 -18,-0.0 4,-0.0 -0.960 51.8-105.0 171.8 173.1 52.6 20.0 13.6 90 90 A N S S- 0 0 145 -2,-0.3 3,-0.1 3,-0.1 -2,-0.0 -0.443 94.6 -51.3-118.5 56.4 50.1 21.1 10.9 91 91 A G S S+ 0 0 66 1,-0.3 2,-0.4 -2,-0.1 -2,-0.0 0.511 87.9 159.3 90.0 5.7 47.0 21.5 13.0 92 92 A I - 0 0 41 1,-0.1 -1,-0.3 -16,-0.0 -14,-0.2 -0.498 40.3-124.2 -66.9 116.5 47.3 18.0 14.6 93 93 A H E -e 78 0A 35 -16,-1.1 -14,-1.7 -2,-0.4 2,-0.4 -0.081 20.1-150.4 -58.7 159.2 45.3 18.0 17.8 94 94 A S E +e 79 0A 73 -16,-0.2 2,-0.3 -14,-0.0 -14,-0.2 -0.974 15.7 177.6-138.9 121.7 47.0 17.2 21.1 95 95 A A E -e 80 0A 6 -16,-2.1 -14,-2.9 -2,-0.4 6,-0.1 -0.937 27.6-146.8-126.0 148.6 45.2 15.6 24.1 96 96 A K S S+ 0 0 130 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.435 83.6 10.7 -92.2 1.3 46.5 14.4 27.5 97 97 A S S > S- 0 0 36 1,-0.1 4,-1.9 -16,-0.1 5,-0.1 -0.974 81.4 -99.6-166.0 166.2 44.1 11.5 27.8 98 98 A L H > S+ 0 0 11 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.876 124.4 43.2 -63.3 -37.1 41.7 9.4 25.8 99 99 A D H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 110.4 54.4 -78.6 -31.1 38.7 11.3 27.3 100 100 A H H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.844 107.5 53.9 -67.6 -30.9 40.4 14.7 26.9 101 101 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.911 107.1 49.6 -68.5 -41.8 40.8 13.7 23.3 102 102 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.902 110.7 48.7 -66.0 -40.7 37.1 13.0 22.9 103 103 A E H X S+ 0 0 65 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.897 111.1 51.8 -66.6 -36.1 36.1 16.3 24.5 104 104 A L H X S+ 0 0 29 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 113.0 44.4 -64.3 -44.2 38.6 18.1 22.2 105 105 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 112.8 49.6 -67.3 -45.7 37.1 16.4 19.1 106 106 A Y H < S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.1 44.5 -66.1 -25.9 33.5 16.9 20.0 107 107 A R H < S+ 0 0 176 -4,-1.6 3,-0.5 -5,-0.2 -2,-0.2 0.877 116.1 44.5 -82.8 -42.1 34.2 20.6 20.7 108 108 A T H < S+ 0 0 58 -4,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.831 122.7 38.4 -70.6 -33.7 36.3 21.2 17.6 109 109 A Y S < S+ 0 0 40 -4,-2.6 8,-0.4 -5,-0.2 -1,-0.3 -0.655 81.9 156.1-121.2 73.7 33.8 19.3 15.4 110 110 A G > - 0 0 25 -3,-0.5 3,-1.4 -2,-0.4 -3,-0.1 -0.247 64.5 -84.4 -90.1-178.5 30.3 20.1 16.5 111 111 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -5,-0.1 5,-0.0 0.621 134.2 52.0 -60.7 -10.0 27.0 20.0 14.7 112 112 A E T 3 S+ 0 0 188 3,-0.1 -1,-0.3 0, 0.0 4,-0.1 0.677 89.0 103.2 -98.1 -22.3 28.0 23.5 13.5 113 113 A S S < S- 0 0 37 -3,-1.4 -4,-0.1 1,-0.1 -5,-0.0 -0.174 72.3-133.0 -61.7 153.3 31.4 22.4 12.2 114 114 A S S S+ 0 0 108 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.877 95.1 54.5 -73.8 -40.2 32.1 22.0 8.5 115 115 A V S S- 0 0 49 -64,-0.0 2,-0.4 -5,-0.0 -64,-0.2 -0.855 76.4-159.0 -99.8 127.3 33.9 18.7 9.0 116 116 A Q E - c 0 51A 55 -66,-3.2 -64,-2.6 -2,-0.5 2,-0.2 -0.855 17.5-119.6-108.5 142.5 32.0 16.0 10.9 117 117 A I E + c 0 52A 12 -8,-0.4 -64,-0.2 -2,-0.4 3,-0.1 -0.558 28.5 176.6 -79.6 138.8 33.5 13.0 12.7 118 118 A N E - 0 0 35 -66,-2.5 2,-0.3 1,-0.4 -65,-0.2 0.773 62.4 -1.3-103.6 -78.7 32.5 9.5 11.5 119 119 A R E - 0 0 54 -79,-0.1 -65,-3.2 -77,-0.1 2,-0.5 -0.876 61.0-139.8-118.7 151.7 34.4 6.8 13.4 120 120 A I E -ac 7 54A 1 -114,-0.6 -112,-1.9 -2,-0.3 2,-0.4 -0.945 19.9-168.0-112.7 122.0 37.0 7.1 16.1 121 121 A F E -ac 8 55A 0 -67,-3.3 -65,-3.6 -2,-0.5 2,-0.7 -0.857 19.0-151.1-111.8 143.5 39.9 4.7 16.0 122 122 A V E +ac 9 56A 0 -114,-2.3 -112,-2.4 -2,-0.4 -65,-0.2 -0.967 26.7 172.2-106.7 111.7 42.6 4.0 18.6 123 123 A I E + 0 0 15 -67,-3.0 2,-0.3 -2,-0.7 -66,-0.2 0.403 41.5 14.0-108.8 3.6 45.6 3.0 16.4 124 124 A G E + c 0 57A 3 -68,-0.6 -66,-1.7 1,-0.2 -1,-0.2 -0.837 66.9 59.7 173.1 152.1 48.5 2.6 18.6 125 125 A G > - 0 0 19 -2,-0.3 4,-2.9 -68,-0.2 5,-0.2 0.321 52.8-123.8 103.7 127.0 50.7 2.4 21.6 126 126 A A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.893 116.2 52.3 -62.7 -37.6 50.4 -0.5 24.1 127 127 A Q H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.970 112.0 42.2 -62.8 -52.6 50.0 2.3 26.7 128 128 A L H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 113.9 54.2 -62.2 -36.3 47.1 4.0 24.8 129 129 A Y H X S+ 0 0 13 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.859 104.3 55.3 -63.0 -38.7 45.7 0.5 24.0 130 130 A K H X S+ 0 0 127 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.933 110.3 44.6 -61.0 -44.4 45.7 -0.3 27.7 131 131 A A H X S+ 0 0 46 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.862 113.0 51.6 -67.8 -38.1 43.6 2.8 28.5 132 132 A A H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 6,-0.3 0.946 103.4 57.0 -65.5 -46.5 41.3 2.0 25.6 133 133 A M H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.844 110.3 46.6 -52.9 -31.8 40.7 -1.5 26.8 134 134 A D H 3< S+ 0 0 123 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.578 89.9 104.5 -85.6 -11.6 39.5 0.1 30.1 135 135 A H X< - 0 0 17 -3,-1.7 3,-1.6 -4,-0.7 -128,-0.1 -0.561 69.6-139.7 -76.6 131.5 37.3 2.7 28.4 136 136 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.558 99.6 58.4 -66.5 -6.6 33.6 1.9 28.5 137 137 A K T 3 S+ 0 0 33 -5,-0.1 -130,-3.0 69,-0.1 2,-0.6 0.519 78.4 101.0 -99.5 -7.7 33.1 3.1 24.9 138 138 A L E < +b 7 0A 3 -3,-1.6 -130,-0.2 -6,-0.3 3,-0.1 -0.690 34.3 147.7 -79.8 116.8 35.5 0.6 23.3 139 139 A D E + 0 0 29 -132,-1.9 65,-1.8 -2,-0.6 2,-0.4 0.348 51.4 57.0-131.0 5.8 33.4 -2.2 21.9 140 140 A R E -bF 8 203A 41 -133,-0.9 -131,-3.4 63,-0.2 2,-0.5 -0.995 49.3-167.6-149.1 139.6 35.4 -3.3 18.8 141 141 A I E -bF 9 202A 0 61,-3.1 61,-3.0 -2,-0.4 2,-1.0 -0.967 8.6-160.5-130.1 116.5 38.8 -4.6 17.9 142 142 A M E -bF 10 201A 0 -133,-3.1 -131,-2.6 -2,-0.5 2,-0.4 -0.856 30.5-175.6 -91.8 103.4 40.0 -4.9 14.3 143 143 A A E -bF 11 200A 0 57,-2.1 57,-3.1 -2,-1.0 2,-0.7 -0.885 27.3-158.6-111.8 139.5 42.8 -7.4 14.8 144 144 A T E -bF 12 199A 0 -133,-2.3 -131,-2.5 -2,-0.4 2,-0.5 -0.954 21.8-150.3-111.8 107.9 45.3 -8.7 12.4 145 145 A I E -bF 13 198A 0 53,-2.2 53,-1.8 -2,-0.7 2,-0.7 -0.706 4.9-157.3 -85.2 125.4 46.5 -12.0 13.8 146 146 A I E -bF 14 197A 0 -133,-2.6 2,-2.3 -2,-0.5 -131,-1.4 -0.906 8.5-148.3-106.5 112.4 50.1 -13.0 12.9 147 147 A Y E + F 0 196A 78 49,-2.7 49,-0.5 -2,-0.7 2,-0.3 -0.430 69.1 85.0 -80.0 69.1 50.7 -16.7 13.2 148 148 A K S S- 0 0 99 -2,-2.3 2,-2.2 47,-0.1 -132,-0.3 -0.860 77.4-128.7-168.0 129.5 54.4 -16.4 14.2 149 149 A D - 0 0 115 -2,-0.3 3,-0.1 -135,-0.1 -2,-0.1 -0.384 42.0-179.4 -81.7 61.4 56.0 -15.9 17.6 150 150 A I - 0 0 22 -2,-2.2 2,-0.2 -4,-0.2 -136,-0.1 -0.357 36.9 -99.5 -63.5 139.7 58.1 -12.9 16.4 151 151 A H + 0 0 131 -125,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.430 53.3 170.7 -63.7 129.3 60.4 -11.4 19.0 152 152 A C - 0 0 6 -2,-0.2 -131,-0.3 -131,-0.1 3,-0.1 -0.938 35.4-159.7-137.6 158.3 58.8 -8.3 20.5 153 153 A D S S+ 0 0 74 -133,-2.2 2,-0.4 -2,-0.3 -132,-0.2 0.429 84.0 53.4-113.9 -8.5 59.5 -6.0 23.4 154 154 A V E -I 20 0B 56 -134,-1.7 -135,-2.3 -28,-0.0 -134,-1.5 -0.987 69.3-169.2-128.4 138.5 56.0 -4.5 23.7 155 155 A F E -I 18 0B 97 -2,-0.4 -137,-0.2 -137,-0.2 -138,-0.1 -0.858 33.1 -94.9-127.9 160.6 52.8 -6.5 24.0 156 156 A F - 0 0 10 -139,-3.0 -30,-0.1 -2,-0.3 -29,-0.1 -0.581 39.0-130.6 -71.1 134.6 49.1 -5.9 23.8 157 157 A P S S+ 0 0 56 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.587 83.5 41.9 -63.4 -17.0 47.8 -5.4 27.4 158 158 A L S S- 0 0 29 -141,-0.1 2,-2.7 7,-0.0 3,-0.2 -0.971 71.6-135.0-142.9 126.5 44.8 -7.8 27.4 159 159 A K > + 0 0 99 -2,-0.4 3,-2.5 1,-0.2 6,-0.4 -0.335 37.0 164.6 -74.8 62.8 44.5 -11.3 26.0 160 160 A F T 3 S+ 0 0 0 -2,-2.7 -1,-0.2 1,-0.3 9,-0.2 0.708 71.9 54.2 -54.6 -22.6 41.1 -10.7 24.4 161 161 A R T 3 S+ 0 0 67 -3,-0.2 -1,-0.3 41,-0.0 2,-0.1 0.474 90.6 99.3 -92.5 -1.5 41.4 -13.8 22.3 162 162 A D S X S- 0 0 50 -3,-2.5 3,-1.4 1,-0.1 4,-0.4 -0.392 86.8-108.2 -83.8 161.1 42.1 -16.1 25.2 163 163 A K G > S+ 0 0 187 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.821 114.5 64.7 -57.0 -35.3 39.5 -18.4 27.0 164 164 A E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.774 111.6 35.9 -61.6 -26.8 39.5 -16.1 30.1 165 165 A W G X> S+ 0 0 80 -3,-1.4 4,-3.6 -6,-0.4 3,-0.6 0.296 86.4 105.5-109.0 8.9 38.0 -13.3 28.0 166 166 A S T <4 S+ 0 0 58 -3,-1.2 -1,-0.1 -4,-0.4 -2,-0.1 0.673 77.7 52.9 -64.8 -21.2 35.8 -15.4 25.7 167 167 A S T 34 S+ 0 0 96 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.776 119.5 35.8 -85.3 -23.7 32.5 -14.5 27.4 168 168 A V T <4 S+ 0 0 40 -3,-0.6 2,-0.5 1,-0.2 37,-0.4 0.905 119.1 46.5 -91.0 -50.4 33.4 -10.8 27.0 169 169 A W < - 0 0 6 -4,-3.6 2,-0.4 -9,-0.2 -1,-0.2 -0.843 68.0-177.8-100.2 128.7 35.1 -10.7 23.6 170 170 A K E -G 203 0A 117 33,-2.4 33,-2.6 -2,-0.5 2,-0.5 -0.945 25.8-124.8-123.4 143.4 33.6 -12.6 20.7 171 171 A K E -G 202 0A 103 -2,-0.4 31,-0.2 31,-0.2 2,-0.1 -0.758 28.6-139.6 -90.3 126.7 35.0 -13.0 17.2 172 172 A E - 0 0 63 29,-3.0 29,-0.4 -2,-0.5 2,-0.1 -0.347 24.6 -94.0 -80.7 164.4 32.5 -11.9 14.4 173 173 A K >> - 0 0 126 1,-0.1 4,-1.7 -2,-0.1 3,-0.6 -0.392 34.1-115.3 -73.3 155.5 31.9 -13.6 11.1 174 174 A H H 3> S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.871 116.2 58.8 -61.0 -36.0 33.8 -12.4 8.1 175 175 A S H 3> S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 106.4 48.1 -62.7 -32.7 30.6 -11.2 6.5 176 176 A D H <> S+ 0 0 61 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.848 108.9 54.1 -76.5 -31.9 30.0 -8.9 9.5 177 177 A L H X S+ 0 0 2 -4,-1.7 4,-3.3 2,-0.2 3,-0.4 0.990 111.8 43.1 -62.2 -58.5 33.5 -7.6 9.4 178 178 A E H X>S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 5,-0.7 0.882 112.8 54.6 -53.1 -41.6 33.2 -6.6 5.7 179 179 A S H <5S+ 0 0 94 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.888 114.3 39.7 -60.9 -40.0 29.8 -5.2 6.4 180 180 A W H <5S+ 0 0 39 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.858 116.6 49.6 -77.8 -36.6 31.2 -3.0 9.2 181 181 A V H <5S- 0 0 1 -4,-3.3 -2,-0.2 2,-0.2 -1,-0.2 0.729 102.2-136.3 -73.9 -22.0 34.3 -2.1 7.2 182 182 A G T <5S+ 0 0 38 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.485 72.6 72.3 79.7 2.2 32.2 -1.2 4.2 183 183 A T S S-H 195 0A 32 3,-1.8 3,-0.5 -2,-0.6 -164,-0.1 -0.944 71.7 -4.3-147.2 119.6 53.8 -12.1 3.2 193 193 A D T 3 S- 0 0 80 -2,-0.3 3,-0.1 1,-0.2 -165,-0.1 0.879 127.7 -57.4 65.0 41.0 57.5 -12.5 4.1 194 194 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.703 113.9 114.7 65.3 21.5 57.2 -16.1 5.1 195 195 A F E < - H 0 192A 44 -3,-0.5 -3,-1.8 -47,-0.0 2,-0.4 -0.966 57.6-141.7-125.9 139.5 54.5 -15.3 7.7 196 196 A D E +FH 147 191A 59 -49,-0.5 -49,-2.7 -2,-0.4 2,-0.3 -0.843 33.0 154.3 -99.8 135.1 50.8 -16.3 7.8 197 197 A Y E -FH 146 190A 0 -7,-1.8 -7,-3.8 -2,-0.4 2,-0.3 -0.986 17.8-169.3-153.9 157.6 48.3 -13.8 9.1 198 198 A E E -F 145 0A 28 -53,-1.8 -53,-2.2 -2,-0.3 2,-0.3 -0.978 26.1-105.1-148.6 161.9 44.6 -13.0 8.7 199 199 A F E +F 144 0A 12 -13,-0.5 2,-0.3 -11,-0.4 -11,-0.3 -0.708 37.1 172.5 -92.9 137.9 42.1 -10.3 9.6 200 200 A E E -F 143 0A 4 -57,-3.1 -57,-2.1 -2,-0.3 2,-0.4 -0.942 21.6-147.4-138.7 159.3 39.6 -10.6 12.4 201 201 A M E -F 142 0A 4 -29,-0.4 -29,-3.0 -2,-0.3 2,-0.4 -0.985 15.4-170.3-132.7 123.1 37.0 -8.4 14.1 202 202 A W E -FG 141 171A 26 -61,-3.0 -61,-3.1 -2,-0.4 2,-0.3 -0.889 5.2-172.7-114.4 142.3 36.2 -8.9 17.8 203 203 A T E -FG 140 170A 17 -33,-2.6 -33,-2.4 -2,-0.4 2,-0.3 -0.929 11.2-165.6-134.9 158.1 33.4 -7.2 19.7 204 204 A R - 0 0 87 -65,-1.8 2,-0.4 -2,-0.3 -35,-0.1 -0.986 32.6-107.7-138.9 146.6 32.1 -6.8 23.3 205 205 A D 0 0 144 -37,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.610 360.0 360.0 -76.7 129.5 28.7 -5.5 24.5 206 206 A L 0 0 121 -2,-0.4 -69,-0.1 -69,-0.1 -1,-0.1 -0.281 360.0 360.0 -72.0 360.0 29.0 -2.1 26.1