==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JAN-03 1NNI . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YHDA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.E.CUFF,Y.KIM,L.MAJ,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER F . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 2 0 0 0 0 1 0 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 1 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 . 1 1 0 0 0 0 0 0 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 1 0 0 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 1 1 X 0 0 119 0, 0.0 2,-1.0 0, 0.0 63,-0.1 0.000 360.0 360.0 360.0 90.7 13.5 49.4 13.6 2 2 1 N + 0 0 71 61,-0.1 63,-3.8 27,-0.1 64,-0.7 -0.780 360.0 179.4 -96.7 98.0 11.8 51.9 11.3 3 3 1 X E -a 66 0A 9 -2,-1.0 27,-2.2 25,-0.2 2,-0.3 -0.711 14.7-159.3-104.0 149.4 11.9 50.3 7.8 4 4 1 L E -ab 67 30A 0 62,-2.3 64,-2.3 -2,-0.3 2,-0.4 -0.954 0.9-161.0-127.0 145.1 10.6 51.5 4.4 5 5 1 V E -ab 68 31A 0 25,-1.0 27,-2.9 -2,-0.3 2,-0.6 -0.991 4.0-162.7-125.8 131.7 9.8 49.6 1.2 6 6 1 I E -ab 69 32A 7 62,-2.3 64,-2.2 -2,-0.4 2,-1.2 -0.930 8.3-153.7-119.9 112.9 9.5 51.2 -2.2 7 7 1 N E -ab 70 33A 1 25,-2.2 27,-2.1 -2,-0.6 64,-0.2 -0.696 8.9-167.2 -84.2 98.9 7.7 49.3 -5.0 8 8 1 G + 0 0 0 62,-2.4 74,-0.3 -2,-1.2 63,-0.2 0.588 53.5 104.7 -62.6 -11.8 9.3 50.8 -8.1 9 9 1 T - 0 0 1 1,-0.2 5,-0.1 72,-0.1 -2,-0.1 -0.582 52.6-163.9 -79.1 125.4 6.8 49.4 -10.5 10 10 1 P + 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.880 66.2 94.9 -70.1 -35.9 4.4 52.0 -11.8 11 11 1 R > - 0 0 110 1,-0.2 3,-1.4 2,-0.1 6,-0.2 -0.373 64.0-156.1 -60.6 120.6 2.0 49.2 -13.1 12 12 1 K T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -2,-0.2 23,-0.1 0.785 98.0 50.6 -68.2 -26.9 -0.7 48.5 -10.5 13 13 1 H T 3 S+ 0 0 139 4,-0.1 -1,-0.3 22,-0.0 2,-0.2 0.175 90.3 123.3 -94.9 15.2 -1.0 45.0 -12.0 14 14 1 G X> - 0 0 4 -3,-1.4 3,-1.4 1,-0.1 4,-0.9 -0.553 68.5-129.1 -86.6 145.5 2.7 44.4 -11.9 15 15 1 R H 3> S+ 0 0 101 1,-0.3 4,-2.0 -2,-0.2 3,-0.3 0.836 105.5 65.9 -55.1 -38.3 4.4 41.5 -10.2 16 16 1 T H 3> S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.835 95.8 59.6 -56.9 -30.2 6.8 43.9 -8.3 17 17 1 R H <> S+ 0 0 96 -3,-1.4 4,-3.3 -6,-0.2 -1,-0.2 0.961 103.8 49.4 -61.6 -50.4 3.7 45.1 -6.5 18 18 1 I H X S+ 0 0 29 -4,-0.9 4,-1.8 -3,-0.3 -2,-0.2 0.921 113.1 46.3 -53.6 -49.9 3.0 41.6 -5.2 19 19 1 A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 3,-0.3 0.953 116.3 43.9 -59.8 -51.5 6.6 41.2 -4.0 20 20 1 A H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.890 112.9 52.7 -60.5 -40.9 6.7 44.6 -2.3 21 21 1 S H X S+ 0 0 65 -4,-3.3 4,-1.3 -5,-0.3 -1,-0.2 0.801 109.9 49.4 -65.8 -31.2 3.3 44.1 -0.9 22 22 1 Y H X S+ 0 0 40 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.938 112.2 45.9 -72.8 -51.3 4.4 40.7 0.6 23 23 1 I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.923 111.6 51.3 -58.1 -48.3 7.6 42.0 2.2 24 24 1 A H X>S+ 0 0 9 -4,-2.4 5,-1.8 1,-0.2 4,-0.8 0.916 112.9 46.3 -57.5 -45.3 5.9 45.1 3.7 25 25 1 A H ><5S+ 0 0 67 -4,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.930 110.5 51.7 -63.7 -47.2 3.2 43.0 5.3 26 26 1 L H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.673 123.1 30.4 -66.6 -16.6 5.6 40.4 6.7 27 27 1 Y H 3<5S- 0 0 67 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.316 103.1-121.1-125.0 8.5 7.7 43.1 8.3 28 28 1 H T <<5 + 0 0 176 -4,-0.8 -25,-0.2 -3,-0.7 2,-0.2 0.959 57.1 159.9 50.7 61.7 5.2 45.8 9.1 29 29 1 T < - 0 0 27 -5,-1.8 -25,-0.2 1,-0.1 -1,-0.1 -0.613 48.4 -97.9-112.1 171.1 6.9 48.4 7.1 30 30 1 D E -b 4 0A 38 -27,-2.2 -25,-1.0 -2,-0.2 2,-0.3 -0.384 44.7-155.3 -74.4 163.9 6.1 51.7 5.5 31 31 1 L E -b 5 0A 50 -27,-0.2 2,-0.7 -2,-0.1 -25,-0.2 -0.908 20.7-168.8-152.6 123.4 5.4 51.2 1.8 32 32 1 I E -b 6 0A 0 -27,-2.9 -25,-2.2 -2,-0.3 2,-0.8 -0.922 12.9-168.3-112.7 106.2 5.6 53.5 -1.2 33 33 1 D E >> -b 7 0A 9 -2,-0.7 4,-2.7 -27,-0.2 3,-2.0 -0.851 14.2-153.2 -97.2 111.1 3.9 51.9 -4.1 34 34 1 L T 34 S+ 0 0 14 -27,-2.1 5,-0.1 -2,-0.8 -1,-0.1 0.382 90.4 72.1 -66.7 9.6 4.7 53.8 -7.3 35 35 1 S T 34 S+ 0 0 11 -24,-0.1 -1,-0.3 -28,-0.1 -23,-0.2 0.777 116.9 17.7 -89.2 -31.4 1.4 52.6 -8.7 36 36 1 E T <4 S+ 0 0 101 -3,-2.0 2,-2.3 1,-0.1 -2,-0.2 0.772 113.3 73.0-105.7 -41.2 -0.6 54.9 -6.4 37 37 1 F S < S- 0 0 3 -4,-2.7 2,-0.4 16,-0.0 -1,-0.1 -0.476 72.8-179.2 -77.1 68.9 2.1 57.4 -5.3 38 38 1 V - 0 0 92 -2,-2.3 15,-0.1 -3,-0.1 -3,-0.1 -0.629 5.9-176.3 -82.3 125.6 2.2 59.2 -8.7 39 39 1 L - 0 0 33 -2,-0.4 2,-0.2 -5,-0.1 46,-0.1 -0.627 28.3-106.8-110.1 167.2 4.6 62.0 -9.1 40 40 1 P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.658 48.9 -84.7 -93.9 157.9 5.1 64.4 -12.0 41 41 1 V - 0 0 114 -2,-0.2 40,-0.0 1,-0.1 44,-0.0 -0.436 59.3-102.2 -60.8 126.4 8.2 64.0 -14.2 42 42 1 F + 0 0 92 -2,-0.2 -1,-0.1 1,-0.1 43,-0.0 -0.038 45.6 170.3 -46.4 151.0 10.9 66.0 -12.5 43 43 1 N - 0 0 85 2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.257 46.9-115.1-151.2 10.6 11.6 69.5 -14.0 44 44 1 G + 0 0 51 1,-0.2 5,-0.1 2,-0.1 2,-0.1 0.093 68.9 135.8 76.6 -27.6 13.9 71.3 -11.5 45 45 1 E >> - 0 0 98 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 -0.328 53.6-143.9 -57.0 128.3 11.4 74.0 -10.7 46 46 1 A H 3> S+ 0 0 80 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.685 99.0 70.7 -68.5 -16.8 11.3 74.7 -6.9 47 47 1 E H 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.456 94.3 57.1 -77.6 -0.8 7.5 75.2 -7.3 48 48 1 Q H X4 S+ 0 0 12 -3,-1.7 3,-1.3 2,-0.1 6,-0.3 0.661 95.8 61.3 -96.2 -29.4 7.5 71.4 -7.9 49 49 1 S H 3< S+ 0 0 50 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.698 98.2 59.6 -68.0 -22.7 9.2 70.9 -4.5 50 50 1 E T 3< S+ 0 0 149 -4,-0.6 2,-0.5 4,-0.1 -1,-0.3 0.127 82.7 126.9 -91.9 22.4 6.1 72.5 -3.0 51 51 1 L S <> S- 0 0 56 -3,-1.3 4,-1.2 1,-0.1 3,-0.1 -0.711 71.4-119.5 -90.9 130.9 4.0 69.7 -4.6 52 52 1 L H > S+ 0 0 144 -2,-0.5 4,-0.7 1,-0.2 3,-0.3 0.701 110.8 39.7 -12.6 -71.3 1.6 67.7 -2.4 53 53 1 K H >> S+ 0 0 46 1,-0.2 3,-1.6 2,-0.2 4,-1.3 0.925 106.1 60.0 -42.6 -76.0 3.3 64.5 -3.1 54 54 1 V H 3> S+ 0 0 0 1,-0.3 4,-1.8 -6,-0.3 -1,-0.2 0.636 99.8 55.5 -37.0 -41.9 7.1 65.4 -3.1 55 55 1 Q H 3X S+ 0 0 56 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.3 0.865 107.4 50.5 -69.4 -36.9 7.3 66.7 0.5 56 56 1 E H S-F 77 0B 67 3,-2.0 3,-1.0 -2,-0.6 31,-0.0 -0.994 73.3 -14.5-120.3 122.1 12.7 47.7 -17.9 75 75 1 H T 3 S- 0 0 197 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.956 128.5 -55.8 48.0 58.4 15.1 47.9 -20.8 76 76 1 S T 3 S+ 0 0 71 -3,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.788 124.4 85.1 45.7 35.0 17.9 46.5 -18.6 77 77 1 G B < S-F 74 0B 12 -3,-1.0 -3,-2.0 40,-0.1 37,-0.2 -0.844 87.3 -82.6-146.9-175.1 17.4 49.4 -16.2 78 78 1 X - 0 0 13 -2,-0.3 -5,-0.1 -5,-0.2 2,-0.1 -0.450 68.2 -77.1 -84.2 171.7 15.4 50.4 -13.2 79 79 1 S > - 0 0 0 -7,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.396 27.3-132.4 -72.0 144.2 12.0 51.9 -13.9 80 80 1 G H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.899 109.6 61.4 -58.5 -35.7 11.8 55.4 -15.2 81 81 1 A H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 107.9 39.8 -56.3 -46.0 9.1 55.8 -12.6 82 82 1 L H > S+ 0 0 2 -74,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.835 114.0 53.1 -75.1 -33.4 11.5 55.0 -9.7 83 83 1 K H X S+ 0 0 74 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.953 108.3 50.9 -67.2 -46.5 14.4 57.0 -11.2 84 84 1 N H X S+ 0 0 28 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.944 109.4 52.1 -52.9 -50.6 12.2 60.1 -11.5 85 85 1 A H >X S+ 0 0 6 -4,-1.7 3,-2.1 -5,-0.3 4,-0.5 0.967 110.4 46.9 -48.1 -62.7 11.2 59.6 -7.9 86 86 1 L H >< S+ 0 0 15 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.819 99.3 68.7 -52.1 -36.0 14.8 59.5 -6.7 87 87 1 D H 3< S+ 0 0 70 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.834 95.1 57.5 -56.7 -27.3 15.7 62.5 -8.8 88 88 1 F H << S+ 0 0 18 -3,-2.1 -1,-0.3 -4,-1.0 -2,-0.2 0.754 106.7 59.1 -73.2 -24.0 13.5 64.5 -6.4 89 89 1 L << - 0 0 17 -3,-1.7 2,-0.3 -4,-0.5 -31,-0.0 -0.259 66.1-169.4 -96.5-173.2 15.7 63.3 -3.5 90 90 1 S >> - 0 0 53 -2,-0.1 3,-1.4 35,-0.1 4,-1.2 -0.926 50.3 -70.9-161.2-179.0 19.4 63.6 -2.7 91 91 1 S H 3> S+ 0 0 61 1,-0.3 4,-1.5 -2,-0.3 34,-0.1 0.512 117.8 81.0 -63.2 -1.3 22.1 62.4 -0.4 92 92 1 E H 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.955 103.6 26.7 -67.4 -50.4 20.3 64.5 2.1 93 93 1 Q H <4 S+ 0 0 15 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.642 130.3 41.1 -87.3 -17.7 17.7 61.7 2.7 94 94 1 F H >< S+ 0 0 2 -4,-1.2 3,-3.0 31,-0.2 34,-0.2 0.676 71.6 133.7-106.6 -18.6 19.9 58.8 1.8 95 95 1 K T 3< S- 0 0 108 -4,-1.5 32,-0.2 1,-0.3 31,-0.1 -0.029 90.5 -14.7 -43.5 121.9 23.3 59.4 3.3 96 96 1 Y T 3 S+ 0 0 154 30,-2.9 -1,-0.3 1,-0.2 31,-0.2 0.496 97.7 144.7 63.1 7.2 24.6 56.3 5.1 97 97 1 K < - 0 0 25 -3,-3.0 31,-2.8 1,-0.1 -1,-0.2 -0.578 54.3-113.6 -81.0 133.6 21.2 54.8 5.1 98 98 1 P E - d 0 128A 13 0, 0.0 -31,-2.5 0, 0.0 2,-0.4 -0.441 37.4-175.7 -67.3 132.0 21.0 51.0 4.6 99 99 1 V E -cd 67 129A 0 29,-1.2 31,-2.3 -33,-0.2 2,-0.5 -0.992 16.6-158.5-133.7 139.5 19.4 49.8 1.4 100 100 1 A E -c 68 0A 0 -33,-2.6 -31,-2.7 -2,-0.4 2,-0.3 -0.973 17.5-145.3-116.0 124.4 18.6 46.3 0.1 101 101 1 L E +c 69 0A 0 -2,-0.5 33,-0.9 31,-0.4 2,-0.3 -0.680 22.6 169.7 -91.5 143.8 18.2 46.0 -3.6 102 102 1 L E -ce 70 134A 0 -33,-1.7 -31,-1.3 -2,-0.3 2,-0.3 -0.927 10.9-166.4-154.6 123.3 15.7 43.6 -5.2 103 103 1 A E -ce 71 135A 0 31,-2.3 33,-2.7 -2,-0.3 2,-0.6 -0.871 13.2-145.2-117.5 150.8 14.7 43.5 -8.8 104 104 1 V E +ce 72 136A 8 -33,-2.3 -31,-1.2 -2,-0.3 33,-0.2 -0.899 27.2 172.8-120.3 104.4 11.9 41.8 -10.7 105 105 1 A - 0 0 8 31,-1.0 3,-0.1 -2,-0.6 6,-0.1 -0.180 41.3-114.4 -96.4-171.6 12.7 40.5 -14.1 106 106 1 G - 0 0 70 1,-0.3 2,-0.3 31,-0.1 31,-0.1 0.262 67.8 -86.4-111.0 10.0 10.9 38.4 -16.6 107 107 1 G S > S+ 0 0 20 3,-0.2 3,-2.1 29,-0.1 -1,-0.3 -0.908 91.6 69.4 126.3-153.4 13.2 35.4 -16.5 108 108 1 G T 3 S- 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.010 118.7 -33.3 37.7-132.5 16.4 34.3 -18.3 109 109 1 K T > S+ 0 0 205 -3,-0.0 3,-0.7 2,-0.0 -1,-0.3 0.124 101.8 129.0-102.3 18.3 19.3 36.4 -17.2 110 110 1 G T < + 0 0 23 -3,-2.1 -5,-0.3 1,-0.2 -3,-0.2 -0.422 45.2 51.9 -76.5 150.8 17.3 39.5 -16.7 111 111 1 G T 3> S+ 0 0 0 -7,-0.1 4,-1.4 -2,-0.1 -1,-0.2 0.057 78.3 86.9 119.2 -26.9 17.5 41.5 -13.5 112 112 1 I H <> S+ 0 0 82 -3,-0.7 4,-3.1 2,-0.2 5,-0.2 0.886 89.0 51.9 -76.5 -37.0 21.2 42.2 -12.9 113 113 1 N H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 107.2 54.3 -66.3 -31.8 21.4 45.3 -14.9 114 114 1 A H > S+ 0 0 0 -37,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 112.2 45.9 -65.1 -38.6 18.4 46.6 -13.0 115 115 1 L H X S+ 0 0 1 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.910 111.0 48.6 -70.2 -46.0 20.4 45.9 -9.8 116 116 1 N H X S+ 0 0 69 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.901 110.7 54.2 -62.2 -37.5 23.7 47.4 -10.9 117 117 1 N H X S+ 0 0 52 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.983 112.6 41.4 -57.6 -59.2 21.8 50.5 -12.0 118 118 1 X H X S+ 0 0 1 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.919 113.3 54.2 -54.8 -46.3 20.2 50.9 -8.6 119 119 1 R H X S+ 0 0 71 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.906 110.7 45.8 -57.4 -43.4 23.4 50.1 -6.9 120 120 1 T H X S+ 0 0 94 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.931 115.4 46.1 -65.8 -45.9 25.2 52.8 -8.8 121 121 1 V H >X S+ 0 0 27 -4,-2.6 4,-1.3 2,-0.2 3,-1.1 0.948 110.8 52.0 -63.0 -49.8 22.5 55.4 -8.2 122 122 1 X H ><>S+ 0 0 1 -4,-3.5 5,-1.9 1,-0.3 3,-1.1 0.937 108.4 51.3 -51.7 -46.9 22.2 54.6 -4.6 123 123 1 R H ><5S+ 0 0 163 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.3 0.750 101.9 65.0 -62.6 -20.8 25.9 55.0 -4.3 124 124 1 G H <<5S+ 0 0 51 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.868 105.0 41.4 -69.3 -34.7 25.3 58.3 -6.0 125 125 1 V T <<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.124 120.5-110.2 -98.7 18.8 23.3 59.6 -3.0 126 126 1 Y T < 5 + 0 0 110 -3,-1.0 -30,-2.9 -5,-0.2 -3,-0.2 0.722 63.5 153.8 64.0 26.1 25.8 58.1 -0.6 127 127 1 A < - 0 0 15 -5,-1.9 2,-0.5 -32,-0.2 -32,-0.1 -0.156 49.3-115.6 -74.9 177.0 23.6 55.3 0.7 128 128 1 N E -d 98 0A 68 -31,-2.8 -29,-1.2 -34,-0.2 2,-0.3 -0.680 30.3-163.7-118.9 79.1 25.0 52.0 2.2 129 129 1 V E -d 99 0A 24 -2,-0.5 -29,-0.2 -31,-0.2 -10,-0.0 -0.443 18.2-129.2 -66.0 122.7 23.8 49.2 -0.1 130 130 1 I - 0 0 0 -31,-2.3 -29,-0.3 -2,-0.3 -1,-0.1 -0.264 16.4-118.8 -68.1 159.1 24.2 45.8 1.5 131 131 1 P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -30,-0.0 0.966 90.0 80.4 -64.2 -59.1 26.0 43.1 -0.4 132 132 1 K + 0 0 76 26,-0.1 -31,-0.4 27,-0.1 2,-0.3 -0.277 59.6 168.3 -55.6 133.3 23.3 40.5 -0.7 133 133 1 Q - 0 0 62 -33,-0.1 2,-0.3 2,-0.0 -31,-0.2 -0.881 15.2-152.0-138.9 170.5 20.9 41.4 -3.5 134 134 1 L E -e 102 0A 26 -33,-0.9 -31,-2.3 -2,-0.3 2,-0.4 -0.996 11.8-156.3-155.5 145.1 18.2 39.4 -5.2 135 135 1 V E -e 103 0A 31 -2,-0.3 2,-0.5 -33,-0.2 -31,-0.2 -0.984 13.8-156.4-122.5 130.5 16.3 38.9 -8.4 136 136 1 L E -e 104 0A 0 -33,-2.7 -31,-1.0 -2,-0.4 -29,-0.1 -0.930 8.6-166.2-110.9 126.2 12.8 37.4 -8.6 137 137 1 D > - 0 0 37 -2,-0.5 3,-1.8 -33,-0.2 4,-0.1 -0.405 42.7 -90.0 -97.0 178.6 11.6 35.8 -11.8 138 138 1 P G > S+ 0 0 40 0, 0.0 3,-1.6 0, 0.0 5,-0.2 0.787 123.7 65.7 -61.5 -28.7 8.0 34.9 -12.6 139 139 1 V G 3 S+ 0 0 98 1,-0.3 12,-0.2 3,-0.1 -3,-0.0 0.625 99.7 54.8 -69.5 -9.1 8.5 31.4 -11.1 140 140 1 H G < S+ 0 0 35 -3,-1.8 9,-2.2 11,-0.1 2,-0.5 0.368 98.2 71.1-103.3 -0.4 8.9 33.2 -7.8 141 141 1 I E < -G 148 0C 12 -3,-1.6 2,-1.2 7,-0.3 7,-0.2 -0.977 64.3-155.3-122.9 126.8 5.6 35.1 -7.9 142 142 1 D E > > +G 147 0C 58 5,-2.3 5,-1.4 -2,-0.5 3,-0.9 -0.730 17.6 176.0 -98.8 84.0 2.3 33.4 -7.4 143 143 1 V G > 5S+ 0 0 83 -2,-1.2 3,-3.1 1,-0.2 -1,-0.2 0.953 76.3 57.6 -53.2 -54.6 0.0 35.9 -9.3 144 144 1 E G 3 5S+ 0 0 185 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.768 115.3 38.1 -47.5 -30.5 -3.1 33.8 -8.9 145 145 1 N G < 5S- 0 0 101 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.167 105.7-127.8-109.0 16.8 -2.6 33.9 -5.1 146 146 1 A T < 5S+ 0 0 77 -3,-3.1 2,-0.3 1,-0.1 -3,-0.2 0.843 78.8 78.4 37.4 53.9 -1.4 37.5 -4.9 147 147 1 T E > - 0 0 18 -9,-2.2 3,-0.7 -2,-0.2 4,-0.6 -0.258 27.6-118.3 -70.6 163.0 6.2 31.5 -4.2 150 150 1 E H >> S+ 0 0 141 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.843 106.7 69.9 -69.7 -36.9 7.7 29.4 -1.4 151 151 1 N H 34 S+ 0 0 88 1,-0.2 -1,-0.2 -12,-0.2 4,-0.2 0.707 105.6 39.5 -55.6 -22.9 10.9 28.8 -3.3 152 152 1 I H <> S+ 0 0 6 -3,-0.7 4,-1.9 -12,-0.1 3,-0.4 0.629 90.1 87.3-105.6 -14.4 11.9 32.4 -2.8 153 153 1 K H S+ 0 0 39 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.925 108.1 48.6 -61.6 -46.4 15.9 34.3 0.2 156 156 1 I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.855 108.8 54.8 -63.1 -34.1 13.8 37.3 1.1 157 157 1 K H X S+ 0 0 76 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.960 109.7 46.0 -63.2 -50.9 14.2 36.5 4.8 158 158 1 E H X S+ 0 0 67 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.839 112.0 52.6 -61.0 -35.4 18.0 36.4 4.5 159 159 1 L H >X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.9 0.996 112.6 41.9 -64.2 -61.6 17.9 39.7 2.5 160 160 1 V H 3X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.776 113.2 56.7 -56.9 -25.7 15.8 41.5 5.1 161 161 1 E H 3X S+ 0 0 106 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.3 0.836 106.9 46.4 -76.4 -32.8 18.0 39.9 7.8 162 162 1 E H X S+ 0 0 121 -4,-1.7 4,-2.6 2,-0.2 3,-1.1 0.987 113.7 37.7 -55.3 -61.8 22.0 43.7 10.7 166 166 1 F H 3X S+ 0 0 60 -4,-2.2 4,-1.6 1,-0.3 -2,-0.2 0.924 113.3 56.6 -55.4 -49.1 23.6 46.6 8.9 167 167 1 A H 3< S+ 0 0 16 -4,-3.3 4,-0.3 1,-0.2 -1,-0.3 0.741 113.5 42.1 -56.4 -25.3 20.9 49.0 9.8 168 168 1 K H X< S+ 0 0 137 -4,-1.7 3,-1.8 -3,-1.1 -2,-0.2 0.909 106.9 56.2 -87.2 -50.0 21.5 48.2 13.5 169 169 1 A H 3< S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.765 89.0 84.8 -52.4 -23.6 25.3 48.1 13.5 170 170 1 G T 3< 0 0 69 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.897 360.0 360.0 -44.1 -49.8 24.9 51.6 12.2 171 171 1 N < 0 0 168 -3,-1.8 0, 0.0 -4,-0.3 0, 0.0 -0.424 360.0 360.0 -97.8 360.0 24.5 52.9 15.8