==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-05 2BLE . COMPND 2 MOLECULE: GMP REDUCTASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BUNKOCZI,A.HARONITI,S.NG,F.VON DELFT,U.OPPERMANN,C.ARROWSM . 337 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 1 2 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 2 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 145 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.4 80.2 11.8 36.6 2 2 A P - 0 0 143 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.804 360.0-177.5 -74.9 128.4 78.0 11.2 33.6 3 3 A R - 0 0 195 -2,-0.5 2,-0.4 0, 0.0 0, 0.0 -0.842 22.7-136.7-130.8 165.4 74.5 10.4 35.0 4 4 A I - 0 0 153 -2,-0.3 2,-0.2 0, 0.0 0, 0.0 -0.992 23.2-121.5-130.7 122.2 71.1 9.5 33.6 5 5 A D - 0 0 83 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.444 17.1-141.6 -64.4 132.0 67.8 11.0 34.8 6 6 A A S S+ 0 0 105 -2,-0.2 2,-0.5 2,-0.1 -1,-0.1 0.757 75.4 92.0 -65.1 -27.0 65.6 8.2 36.1 7 7 A D S S- 0 0 84 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.577 75.2-134.6 -82.3 116.9 62.4 9.8 34.6 8 8 A L - 0 0 126 -2,-0.5 2,-0.7 1,-0.1 -2,-0.1 -0.596 21.1-136.7 -65.6 131.2 61.4 8.7 31.1 9 9 A K - 0 0 42 -2,-0.3 2,-0.1 190,-0.0 189,-0.1 -0.869 20.4-152.7 -99.9 114.7 60.5 11.8 29.1 10 10 A L - 0 0 25 -2,-0.7 190,-1.4 187,-0.1 2,-0.2 -0.432 6.9-158.6 -84.4 155.4 57.4 11.3 27.0 11 11 A D > - 0 0 29 188,-0.2 3,-1.5 187,-0.1 4,-0.3 -0.566 42.9 -79.3-118.2-171.4 56.5 13.0 23.8 12 12 A F G > S+ 0 0 5 1,-0.3 3,-1.3 -2,-0.2 -2,-0.0 0.857 125.3 56.4 -62.6 -39.0 53.1 13.6 21.9 13 13 A K G 3 S+ 0 0 138 1,-0.2 -1,-0.3 320,-0.0 319,-0.1 0.688 98.7 63.0 -64.9 -21.0 53.0 10.1 20.5 14 14 A D G < S+ 0 0 35 -3,-1.5 318,-2.6 317,-0.1 2,-0.3 0.546 104.8 46.6 -85.7 -5.6 53.2 8.5 23.9 15 15 A V E < -A 331 0A 3 -3,-1.3 2,-0.3 -4,-0.3 316,-0.2 -0.855 52.9-162.1-136.0 165.1 50.0 10.0 25.2 16 16 A L E -A 330 0A 65 314,-2.0 314,-3.1 -2,-0.3 2,-0.5 -0.966 28.5-115.7-134.9 153.2 46.3 10.7 24.7 17 17 A L E -A 329 0A 36 -2,-0.3 312,-0.2 312,-0.2 310,-0.1 -0.794 30.3-129.3 -84.8 133.3 43.9 13.1 26.3 18 18 A R - 0 0 132 310,-2.3 310,-0.3 -2,-0.5 2,-0.1 -0.629 20.0-122.2 -77.9 131.1 41.0 11.5 28.2 19 19 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 296,-0.3 -0.426 33.0-164.7 -66.9 152.4 37.4 12.6 27.4 20 20 A K - 0 0 66 294,-2.1 296,-0.1 293,-0.1 2,-0.1 -0.952 24.4 -85.0-138.5 163.2 35.4 14.0 30.3 21 21 A R + 0 0 247 -2,-0.3 2,-0.3 294,-0.1 293,-0.0 -0.345 56.3 143.9 -60.3 136.4 31.8 14.8 31.3 22 22 A S - 0 0 59 2,-0.1 294,-0.1 -2,-0.1 295,-0.1 -0.978 57.7-114.9-161.0 177.3 30.4 18.2 30.4 23 23 A S + 0 0 127 -2,-0.3 2,-0.7 293,-0.1 -2,-0.1 0.140 67.1 131.0-101.5 18.0 27.3 20.2 29.3 24 24 A L - 0 0 35 289,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.630 38.4-168.9 -83.8 113.9 28.8 21.1 25.9 25 25 A K - 0 0 93 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.769 63.7 -18.7 -70.6 -30.2 26.4 20.3 23.1 26 26 A S > - 0 0 59 1,-0.1 3,-1.6 283,-0.0 4,-0.3 -0.981 66.2 -92.4-176.4 167.8 28.9 20.8 20.2 27 27 A R G > S+ 0 0 134 1,-0.3 3,-1.2 -2,-0.3 285,-0.1 0.720 108.9 68.0 -76.6 -22.4 32.2 22.2 19.0 28 28 A A G 3 S+ 0 0 86 1,-0.2 -1,-0.3 3,-0.0 282,-0.0 0.633 89.6 69.5 -71.0 -9.5 31.0 25.6 17.7 29 29 A E G < S+ 0 0 95 -3,-1.6 -1,-0.2 280,-0.1 2,-0.2 0.776 80.4 99.2 -69.2 -25.7 30.3 26.5 21.3 30 30 A V < - 0 0 6 -3,-1.2 2,-0.6 -4,-0.3 289,-0.2 -0.444 62.8-150.5 -78.2 133.1 34.0 26.6 22.1 31 31 A D B -b 319 0B 78 287,-2.1 289,-2.4 -2,-0.2 290,-0.2 -0.888 11.5-175.9-103.9 117.6 35.9 29.9 22.1 32 32 A L + 0 0 2 -2,-0.6 2,-0.3 287,-0.2 -1,-0.1 0.305 49.6 107.6 -94.7 1.2 39.6 29.6 21.1 33 33 A E - 0 0 88 15,-0.2 288,-0.4 13,-0.1 2,-0.3 -0.658 49.3-166.6 -82.1 142.2 40.6 33.2 21.8 34 34 A R E -C 47 0C 71 13,-2.5 13,-2.0 -2,-0.3 2,-0.5 -0.930 13.4-144.6-121.9 153.3 42.7 34.0 24.8 35 35 A T E -C 46 0C 83 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.977 24.2-173.4-119.1 120.9 43.5 37.3 26.5 36 36 A F E -C 45 0C 7 9,-3.0 9,-2.5 -2,-0.5 2,-0.5 -0.876 19.6-159.9-117.5 143.9 47.0 37.7 27.9 37 37 A T E -C 44 0C 83 -2,-0.4 7,-0.2 7,-0.2 2,-0.1 -0.981 26.9-132.9-120.4 122.6 48.8 40.3 30.0 38 38 A F > - 0 0 2 5,-2.4 4,-0.7 -2,-0.5 176,-0.1 -0.386 3.6-135.3 -83.6 146.2 52.5 40.1 29.7 39 39 A R T 4 S+ 0 0 81 174,-0.3 -1,-0.1 135,-0.2 175,-0.1 0.854 95.2 17.6 -65.7 -42.6 54.8 40.2 32.7 40 40 A N T 4 S+ 0 0 28 132,-0.1 -1,-0.1 114,-0.1 134,-0.1 0.870 127.1 44.6-109.0 -46.8 57.5 42.6 31.6 41 41 A S T 4 S- 0 0 4 2,-0.1 -2,-0.1 113,-0.1 3,-0.1 0.690 89.9-146.0 -67.3 -24.4 56.1 44.6 28.6 42 42 A K < + 0 0 143 -4,-0.7 2,-0.2 1,-0.2 -3,-0.1 0.593 50.4 137.8 65.9 15.7 52.8 45.0 30.5 43 43 A Q - 0 0 55 81,-0.1 -5,-2.4 -6,-0.0 2,-0.4 -0.487 48.4-132.1 -89.4 161.2 50.9 44.9 27.2 44 44 A T E -C 37 0C 90 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.909 19.7-171.0-118.0 141.6 47.7 43.0 26.6 45 45 A Y E -C 36 0C 10 -9,-2.5 -9,-3.0 -2,-0.4 2,-0.4 -0.975 6.0-171.2-130.1 143.5 47.0 40.7 23.7 46 46 A S E +C 35 0C 56 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.985 37.2 86.9-133.8 127.2 43.8 39.0 22.5 47 47 A G E S-C 34 0C 0 -13,-2.0 -13,-2.5 -2,-0.4 25,-0.2 -0.976 82.2 -54.3 177.8-177.3 43.6 36.3 19.7 48 48 A I - 0 0 14 23,-2.3 2,-3.2 -2,-0.3 25,-0.4 -0.778 56.3-133.4 -78.7 110.9 43.8 32.6 18.8 49 49 A P + 0 0 0 0, 0.0 190,-1.7 0, 0.0 2,-0.5 -0.083 65.7 118.2 -70.3 55.0 47.2 31.8 20.3 50 50 A I E -d 239 0D 0 -2,-3.2 23,-2.4 188,-0.2 2,-0.5 -0.973 46.5-162.0-122.1 125.7 48.6 29.8 17.3 51 51 A I E -de 240 73D 2 188,-2.1 190,-2.0 -2,-0.5 2,-0.4 -0.911 18.2-131.8-114.2 126.0 51.7 31.4 15.7 52 52 A V E -de 241 74D 0 21,-3.0 23,-2.5 -2,-0.5 190,-0.2 -0.617 40.9-110.7 -68.0 127.8 53.2 30.8 12.3 53 53 A A - 0 0 4 188,-2.3 2,-1.9 -2,-0.4 24,-0.1 -0.274 21.3-112.4 -63.5 151.5 57.0 30.1 12.8 54 54 A N + 0 0 4 22,-0.2 24,-0.4 4,-0.1 2,-0.3 -0.270 68.4 136.9 -80.7 55.3 59.6 32.7 11.6 55 55 A M > - 0 0 15 -2,-1.9 4,-2.3 20,-0.2 22,-0.3 -0.637 66.5-108.0-102.2 156.5 61.0 30.4 8.9 56 56 A D T 4 S+ 0 0 9 208,-0.3 196,-0.2 -2,-0.3 21,-0.1 0.841 112.5 34.5 -50.9 -46.6 61.8 31.6 5.4 57 57 A T T 4 S+ 0 0 6 207,-0.3 195,-1.8 1,-0.1 -1,-0.2 0.739 126.5 34.1 -89.9 -25.3 58.9 30.0 3.5 58 58 A V T 4 S+ 0 0 0 193,-0.2 2,-1.3 -3,-0.2 -2,-0.2 0.696 100.3 72.2-105.1 -22.6 56.1 30.2 6.0 59 59 A G S < S+ 0 0 0 -4,-2.3 18,-2.0 4,-0.1 -1,-0.2 -0.384 74.3 137.0 -91.1 56.3 56.7 33.5 7.9 60 60 A T > - 0 0 0 -2,-1.3 4,-1.7 190,-0.2 5,-0.1 -0.487 67.5-117.4-100.7 172.2 55.7 35.5 5.0 61 61 A F H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 116.6 53.3 -72.6 -50.7 53.5 38.7 4.7 62 62 A E H > S+ 0 0 120 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.826 108.2 50.5 -42.4 -46.6 51.0 36.8 2.5 63 63 A M H >> S+ 0 0 0 187,-0.6 4,-2.3 1,-0.2 3,-1.3 0.953 109.9 53.7 -61.6 -44.6 50.7 34.1 5.2 64 64 A A H 3X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.3 5,-0.2 0.875 99.5 58.3 -55.6 -44.8 50.2 36.9 7.7 65 65 A A H 3< S+ 0 0 15 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.709 112.4 41.4 -67.9 -15.6 47.3 38.5 5.9 66 66 A V H X< S+ 0 0 25 -3,-1.3 3,-0.6 -4,-0.6 4,-0.5 0.860 112.2 51.5 -93.1 -46.4 45.3 35.3 6.1 67 67 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.3 3,-1.9 0.886 106.1 56.9 -54.9 -41.4 46.2 34.3 9.6 68 68 A S G ><5S+ 0 0 18 -4,-2.5 3,-1.7 1,-0.3 -1,-0.3 0.820 96.4 61.9 -66.1 -34.4 45.2 37.7 10.8 69 69 A Q G < 5S+ 0 0 144 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.662 109.2 44.5 -60.6 -16.4 41.7 37.2 9.4 70 70 A H G < 5S- 0 0 31 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.223 120.2-109.1-112.6 9.9 41.4 34.3 11.8 71 71 A S T < 5S+ 0 0 50 -3,-1.7 -23,-2.3 1,-0.2 -3,-0.2 0.681 77.6 136.0 60.3 25.1 42.9 36.2 14.8 72 72 A M < - 0 0 0 -5,-2.5 2,-0.3 -25,-0.2 -1,-0.2 -0.509 48.7-118.4 -95.0 174.5 46.0 34.1 14.5 73 73 A F E -e 51 0D 4 -23,-2.4 -21,-3.0 -25,-0.4 2,-0.4 -0.744 14.2-158.5-121.2 155.2 49.6 35.2 14.6 74 74 A T E -ef 52 99D 0 24,-2.1 26,-1.4 -2,-0.3 2,-0.8 -0.985 10.2-153.6-136.4 124.4 52.6 35.3 12.4 75 75 A A E - f 0 100D 0 -23,-2.5 -20,-0.2 -2,-0.4 2,-0.2 -0.908 33.7-138.3 -90.9 108.7 56.3 35.6 13.5 76 76 A I - 0 0 0 24,-2.1 26,-0.2 -2,-0.8 -16,-0.2 -0.459 18.0-103.4 -75.4 142.1 57.7 37.2 10.4 77 77 A H > - 0 0 18 -18,-2.0 3,-0.9 -22,-0.3 25,-0.2 -0.271 24.2-125.0 -68.4 151.5 61.0 36.1 9.0 78 78 A K T 3 S+ 0 0 18 -24,-0.4 -1,-0.1 1,-0.2 26,-0.1 0.440 94.4 76.1 -84.3 1.8 64.0 38.2 9.7 79 79 A H T 3 + 0 0 50 2,-0.0 -1,-0.2 -23,-0.0 -2,-0.0 0.641 65.5 106.8 -91.3 -13.2 65.1 38.7 6.1 80 80 A Y < - 0 0 31 -3,-0.9 2,-0.1 1,-0.1 -20,-0.0 -0.307 67.9-125.8 -61.3 150.0 62.6 41.1 5.0 81 81 A S > - 0 0 42 1,-0.1 4,-2.4 35,-0.0 5,-0.1 -0.372 21.4-104.1 -89.5 172.3 63.9 44.6 4.5 82 82 A L H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.907 124.6 49.8 -57.5 -47.6 62.7 48.0 6.0 83 83 A D H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.888 107.3 54.2 -61.5 -40.5 61.1 48.8 2.7 84 84 A D H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.941 110.7 46.7 -56.4 -51.7 59.4 45.4 2.5 85 85 A W H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.831 106.9 56.1 -56.7 -40.6 57.9 46.1 6.0 86 86 A K H X S+ 0 0 95 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.781 110.7 46.1 -67.6 -30.9 56.7 49.7 5.1 87 87 A L H X S+ 0 0 102 -4,-1.6 4,-2.7 -3,-0.3 5,-0.4 0.909 108.6 54.2 -70.7 -51.3 54.8 48.2 2.2 88 88 A F H X S+ 0 0 8 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.942 111.8 47.4 -45.5 -42.0 53.4 45.5 4.4 89 89 A A H < S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 112.4 47.2 -67.4 -41.4 52.2 48.4 6.8 90 90 A T H < S+ 0 0 108 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.847 119.5 39.9 -65.8 -42.6 50.7 50.4 4.1 91 91 A N H < S+ 0 0 90 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.857 129.7 22.2 -80.1 -34.6 48.9 47.4 2.6 92 92 A H >X + 0 0 64 -4,-2.9 3,-2.3 -5,-0.4 4,-0.6 -0.431 64.7 154.6-136.2 55.9 47.7 45.5 5.7 93 93 A P G >4 S+ 0 0 71 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.878 76.3 59.5 -54.9 -39.2 47.6 48.0 8.6 94 94 A E G 34 S+ 0 0 106 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.641 101.9 57.0 -65.5 -14.2 44.9 45.9 10.4 95 95 A C G X4 S+ 0 0 3 -3,-2.3 3,-2.4 -7,-0.2 -1,-0.2 0.673 80.7 84.5 -90.2 -18.4 47.5 43.0 10.4 96 96 A L G X< S+ 0 0 2 -3,-1.2 3,-1.2 -4,-0.6 28,-0.5 0.806 82.8 60.8 -60.5 -29.6 50.3 44.8 12.2 97 97 A Q G 3 S+ 0 0 127 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.658 104.5 52.8 -70.4 -11.6 48.7 43.9 15.6 98 98 A N G < S+ 0 0 17 -3,-2.4 -24,-2.1 -25,-0.1 2,-0.3 0.047 98.5 72.5-114.6 29.2 49.1 40.2 14.8 99 99 A V E < -f 74 0D 1 -3,-1.2 26,-0.5 -26,-0.2 25,-0.4 -0.944 57.2-149.8-137.2 158.8 52.8 40.0 13.8 100 100 A A E -f 75 0D 0 -26,-1.4 -24,-2.1 -2,-0.3 2,-0.3 -0.951 18.5-130.4-124.7 146.3 56.2 40.1 15.4 101 101 A V E -g 126 0D 3 24,-2.0 26,-3.1 -2,-0.3 2,-0.3 -0.736 30.0-140.8 -91.1 147.2 59.5 41.3 13.9 102 102 A S E +g 127 0D 7 -2,-0.3 2,-0.3 -26,-0.2 26,-0.2 -0.776 24.2 168.4-113.8 150.8 62.4 38.8 14.3 103 103 A S E -g 128 0D 1 24,-2.3 26,-1.7 -2,-0.3 2,-0.1 -0.978 24.4-138.7-156.0 145.7 66.1 39.2 15.0 104 104 A G - 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0 0 29 -3,-1.8 4,-1.7 1,-0.1 3,-0.7 -0.484 68.1-136.0 -74.9 142.9 74.2 31.2 26.9 136 136 A E H 3> S+ 0 0 119 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.812 108.2 64.6 -62.4 -28.4 74.9 34.2 29.3 137 137 A H H 3> S+ 0 0 161 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.859 101.7 46.8 -61.2 -39.7 75.4 36.1 26.1 138 138 A F H <> S+ 0 0 4 -3,-0.7 4,-2.4 -6,-0.3 -2,-0.2 0.892 108.0 56.9 -67.5 -38.7 71.8 35.6 25.2 139 139 A V H X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.946 110.6 42.6 -56.5 -50.5 70.8 36.6 28.7 140 140 A E H X S+ 0 0 103 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.825 111.9 55.1 -70.1 -32.1 72.5 40.0 28.4 141 141 A F H X S+ 0 0 18 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.915 105.3 52.1 -63.6 -43.4 71.2 40.5 24.9 142 142 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 107.9 53.0 -59.1 -41.2 67.7 40.0 26.2 143 143 A K H X S+ 0 0 90 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.891 109.1 50.1 -58.2 -39.6 68.4 42.7 28.8 144 144 A L H X S+ 0 0 83 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.894 110.9 46.6 -66.6 -45.3 69.5 45.1 26.1 145 145 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 111.4 52.6 -67.6 -39.7 66.4 44.5 23.9 146 146 A R H < S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 112.0 45.9 -59.0 -45.0 64.1 44.9 27.0 147 147 A A H < S+ 0 0 73 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.5 48.7 -67.6 -43.5 65.8 48.3 27.8 148 148 A K H < S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.871 126.0 27.0 -63.2 -36.7 65.7 49.5 24.2 149 149 A F >< + 0 0 18 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.3 -0.672 67.1 167.4-129.2 75.0 62.0 48.6 23.8 150 150 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.647 79.6 44.5 -68.4 -14.4 60.3 48.7 27.3 151 151 A E T 3 S+ 0 0 125 2,-0.1 2,-0.4 -109,-0.1 -110,-0.1 0.271 92.7 96.8-113.1 8.8 56.7 48.6 25.9 152 152 A H S < S- 0 0 23 -3,-1.2 2,-0.4 -6,-0.2 -27,-0.2 -0.816 76.4-121.9 -95.7 136.9 57.3 45.8 23.3 153 153 A T E -h 125 0D 1 -29,-2.4 -27,-3.1 -2,-0.4 2,-0.6 -0.657 29.0-147.2 -77.4 126.6 56.4 42.2 24.1 154 154 A I E -h 126 0D 0 -2,-0.4 20,-2.6 18,-0.3 21,-2.4 -0.848 15.3-169.5-107.2 115.2 59.5 39.9 23.7 155 155 A M E +hi 127 175D 2 -29,-3.7 -27,-3.5 -2,-0.6 2,-0.4 -0.926 21.5 179.8 -91.8 129.7 59.4 36.3 22.6 156 156 A A E -hi 128 176D 0 19,-2.2 21,-2.7 -2,-0.5 2,-0.3 -0.991 15.4 -51.2-131.7 137.7 62.9 34.7 23.2 157 157 A G E -hi 129 177D 0 -29,-2.1 -27,-1.6 -2,-0.4 21,-0.1 -0.988 46.3 -57.3-169.0-173.7 64.4 31.2 22.6 158 158 A N E + 0 0 12 19,-0.7 -25,-0.7 -2,-0.3 20,-0.2 0.464 54.4 130.3-120.4 148.0 64.9 28.3 22.5 159 159 A V E - i 0 178D 0 18,-1.9 20,-2.2 -3,-0.2 3,-0.1 -0.731 31.5-161.6-131.0 177.9 65.1 26.3 25.7 160 160 A V + 0 0 12 -2,-0.2 2,-0.3 18,-0.2 45,-0.2 0.344 68.6 67.0-140.3 -2.4 63.7 23.1 27.2 161 161 A T S > S- 0 0 30 43,-0.1 4,-1.0 44,-0.1 3,-0.4 -0.895 76.1-124.0-128.4 158.9 64.1 23.3 30.9 162 162 A G H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.728 100.1 67.3 -78.9 -30.7 62.7 25.5 33.5 163 163 A E H > S+ 0 0 122 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.863 109.4 41.4 -57.6 -32.0 65.8 27.0 35.1 164 164 A M H > S+ 0 0 14 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.769 108.8 57.6 -90.4 -28.6 66.5 28.8 31.8 165 165 A V H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 5,-0.2 0.956 110.8 46.0 -59.0 -50.3 62.8 29.8 31.2 166 166 A E H X S+ 0 0 88 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.843 112.4 49.1 -62.2 -37.0 63.0 31.6 34.6 167 167 A E H X S+ 0 0 78 -4,-1.2 4,-0.8 -5,-0.2 -1,-0.2 0.896 111.9 48.6 -72.5 -38.4 66.3 33.3 33.9 168 168 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.3 0.917 113.8 46.2 -67.7 -39.3 65.1 34.5 30.5 169 169 A I H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.955 112.3 49.7 -65.2 -46.4 61.8 35.9 32.0 170 170 A L H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.692 106.3 57.7 -68.6 -15.8 63.6 37.5 34.9 171 171 A S T 3<5S- 0 0 12 -4,-0.8 -1,-0.3 -3,-0.3 -25,-0.2 0.412 132.7 -86.9 -92.8 1.2 66.0 39.1 32.4 172 172 A G T < 5S+ 0 0 6 -3,-2.0 -18,-0.3 1,-0.3 -3,-0.2 0.337 82.3 131.0 116.5 -6.2 63.0 40.7 30.5 173 173 A A < - 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