==== 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(NAD(A)-CHOH(D)) 15-JUN-93 1IKA . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.L.STODDARD,D.E.KOSHLAND JUNIOR . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.2 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 . 1 0.2 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 . 47 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.7 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 1 1 0 1 1 0 0 0 1 3 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 S 0 0 140 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.8 95.5 39.8 9.3 2 4 A K + 0 0 174 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.498 360.0 108.6 79.7-147.5 98.2 42.6 9.2 3 5 A V - 0 0 19 -2,-0.2 2,-0.2 1,-0.1 63,-0.1 0.932 55.0-149.6 25.2 93.2 98.0 45.8 11.7 4 6 A V - 0 0 111 61,-0.1 61,-0.2 1,-0.0 -1,-0.1 -0.403 3.0-138.7 -76.9 138.1 100.7 45.5 14.1 5 7 A V - 0 0 79 -2,-0.2 2,-1.0 59,-0.1 58,-0.1 -0.898 20.1-122.9-106.1 129.5 100.5 46.7 17.6 6 8 A P > - 0 0 44 0, 0.0 3,-2.7 0, 0.0 2,-1.7 -0.315 25.0-140.9 -59.5 48.9 103.7 48.6 19.2 7 9 A A T 3 S+ 0 0 101 -2,-1.0 55,-0.0 1,-0.3 -2,-0.0 0.062 94.6 42.1 36.8 -64.9 104.5 46.5 22.5 8 10 A Q T 3 S+ 0 0 131 -2,-1.7 -1,-0.3 2,-0.1 2,-0.1 0.602 96.3 105.0 -84.2 -19.6 105.5 49.2 25.0 9 11 A G < - 0 0 11 -3,-2.7 2,-0.6 16,-0.1 52,-0.1 -0.389 64.3-144.5 -65.7 142.3 102.6 51.3 23.7 10 12 A K E -a 25 0A 112 14,-2.9 16,-1.7 -2,-0.1 52,-0.1 -0.925 16.4-122.8-117.7 125.3 99.6 51.5 25.9 11 13 A K E -a 26 0A 85 -2,-0.6 2,-0.2 14,-0.2 82,-0.1 -0.408 33.9-108.9 -56.2 136.6 96.3 51.6 24.4 12 14 A I - 0 0 4 14,-0.7 9,-0.2 81,-0.3 2,-0.2 -0.569 41.5-164.8 -74.7 134.9 94.3 54.8 25.5 13 15 A T B -M 20 0B 67 7,-1.3 7,-1.4 -2,-0.2 2,-0.3 -0.513 10.4-123.5-104.9 176.0 91.4 53.9 27.9 14 16 A L + 0 0 74 5,-0.2 2,-0.2 -2,-0.2 5,-0.2 -0.772 27.1 164.5-113.5 178.1 88.4 55.7 29.1 15 17 A Q S S- 0 0 98 -2,-0.3 2,-2.7 0, 0.0 5,-0.0 -0.752 71.4 -28.0-157.7-159.4 87.0 56.6 32.5 16 18 A N S S- 0 0 121 -2,-0.2 2,-0.9 1,-0.2 3,-0.1 -0.386 121.6 -54.2 -67.3 74.9 84.3 59.2 33.6 17 19 A G S S+ 0 0 66 -2,-2.7 2,-0.7 1,-0.2 -1,-0.2 -0.015 112.5 127.6 76.3 -38.3 85.1 61.4 30.5 18 20 A K - 0 0 116 -2,-0.9 2,-0.5 -4,-0.1 -1,-0.2 -0.354 59.5-143.5 -51.1 91.5 88.7 61.3 31.7 19 21 A L - 0 0 44 -2,-0.7 2,-1.7 -5,-0.2 -5,-0.2 -0.640 10.8-146.0 -50.6 114.9 90.6 60.2 28.6 20 22 A N B -M 13 0B 87 -7,-1.4 -7,-1.3 -2,-0.5 -1,-0.1 -0.641 25.7-175.4 -91.5 71.6 93.2 58.1 30.6 21 23 A V - 0 0 28 -2,-1.7 -9,-0.1 -9,-0.2 -10,-0.1 -0.627 16.9-136.7 -85.7 97.5 95.8 59.0 27.9 22 24 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.321 17.2-110.7 -53.8 168.6 99.0 57.1 28.9 23 25 A E S S+ 0 0 129 1,-0.3 37,-1.5 36,-0.1 -14,-0.0 0.862 121.4 33.0 -73.0 -28.6 102.7 58.2 29.0 24 26 A N S S- 0 0 46 35,-0.2 -14,-2.9 -16,-0.1 -1,-0.3 -0.588 92.0-178.3-116.2 65.4 103.3 55.9 26.1 25 27 A P E -a 10 0A 0 0, 0.0 37,-2.4 0, 0.0 2,-0.7 -0.357 26.0-128.6 -85.4 145.6 99.9 56.0 24.0 26 28 A I E -ab 11 62A 4 -16,-1.7 -14,-0.7 35,-0.2 69,-0.4 -0.879 25.8-176.6 -96.7 119.8 99.1 54.2 20.8 27 29 A I E - b 0 63A 0 35,-1.1 37,-2.4 -2,-0.7 69,-0.2 -0.982 16.7-143.0-111.4 108.0 97.8 56.5 18.3 28 30 A P E - b 0 64A 0 0, 0.0 69,-2.3 0, 0.0 2,-0.3 -0.543 18.9-170.8 -74.5 149.0 96.6 54.9 15.0 29 31 A Y E -cb 97 65A 25 35,-2.2 37,-1.1 67,-0.2 2,-0.4 -0.905 17.8-151.0-151.3 112.2 97.3 56.8 11.9 30 32 A I E -cb 98 66A 2 67,-2.4 69,-1.1 -2,-0.3 37,-0.2 -0.754 14.9-150.8 -78.4 130.4 96.1 56.2 8.2 31 33 A E - 0 0 38 35,-0.6 9,-0.2 -2,-0.4 2,-0.2 0.910 28.2-148.5 -73.5 -38.0 98.8 57.5 5.7 32 34 A G - 0 0 6 67,-0.2 2,-0.3 36,-0.2 -1,-0.2 -0.568 13.9 -73.2 94.4-176.5 96.6 58.4 2.8 33 35 A D S > S- 0 0 17 67,-1.2 3,-0.9 -2,-0.2 2,-0.3 -0.896 86.0 -5.2-128.4 145.0 97.0 58.5 -0.9 34 36 A G T > S+ 0 0 23 -2,-0.3 3,-1.2 1,-0.3 4,-0.2 -0.516 137.8 15.9 80.4-121.2 98.8 60.8 -3.3 35 37 A I T >> S+ 0 0 4 304,-2.3 4,-2.2 -2,-0.3 3,-1.1 0.569 112.3 84.9 -58.4 -11.6 100.4 63.7 -1.5 36 38 A G H <> S+ 0 0 0 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.945 77.0 65.5 -52.7 -44.2 99.8 61.6 1.7 37 39 A V H <4 S+ 0 0 68 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 113.8 32.3 -53.6 -24.7 103.1 59.7 1.1 38 40 A D H <> S+ 0 0 5 -3,-1.1 4,-0.6 -4,-0.2 -1,-0.2 0.851 116.9 50.7 -99.7 -50.1 104.9 63.1 1.7 39 41 A V H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.887 109.4 48.6 -67.8 -42.2 102.8 64.9 4.2 40 42 A T H 3X S+ 0 0 1 -4,-2.2 4,-1.9 -9,-0.2 -1,-0.2 0.871 98.4 66.5 -72.1 -34.5 102.5 62.2 6.8 41 43 A P H 3> S+ 0 0 58 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.804 108.4 44.3 -46.3 -30.0 106.3 61.4 6.9 42 44 A A H < S+ 0 0 120 -4,-1.5 3,-0.7 3,-0.2 -2,-0.2 0.970 122.1 35.1 -88.9 -52.0 111.0 68.3 23.7 54 56 A A H 3< S+ 0 0 35 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.967 129.8 31.8 -66.6 -47.5 108.1 69.2 26.1 55 57 A Y T 3< S- 0 0 22 -4,-0.6 -1,-0.2 -5,-0.3 3,-0.2 0.269 104.4-128.7 -94.4 9.3 108.0 66.0 28.1 56 58 A K S < S- 0 0 152 -3,-0.7 -4,-0.2 1,-0.3 -3,-0.2 0.725 73.1 -41.0 44.0 54.7 111.8 65.5 27.8 57 59 A G S S+ 0 0 39 -6,-0.9 -1,-0.3 2,-0.3 -5,-0.2 0.801 121.8 100.5 69.5 40.6 111.8 61.9 26.7 58 60 A E S S+ 0 0 119 -7,-0.6 2,-0.4 1,-0.6 -2,-0.1 0.766 77.4 41.3-117.3 -53.9 108.9 60.9 29.1 59 61 A R S S+ 0 0 75 -8,-0.4 -1,-0.6 -4,-0.1 -2,-0.3 -0.794 73.8 172.1 -92.5 136.3 105.9 60.8 27.0 60 62 A K - 0 0 69 -37,-1.5 2,-0.2 -2,-0.4 -12,-0.1 -0.853 27.9-123.5-152.8 122.3 106.6 59.2 23.6 61 63 A I - 0 0 9 -2,-0.3 2,-0.7 -14,-0.2 -35,-0.2 -0.520 10.6-151.6 -74.2 133.5 104.0 58.3 21.0 62 64 A S E -b 26 0A 13 -37,-2.4 -35,-1.1 -2,-0.2 2,-0.4 -0.880 18.0-150.0-109.5 94.2 103.6 54.8 19.6 63 65 A W E -b 27 0A 43 -2,-0.7 2,-0.5 -37,-0.2 -37,-0.1 -0.508 9.9-164.6 -75.8 118.8 102.3 55.0 16.1 64 66 A M E -b 28 0A 0 -37,-2.4 -35,-2.2 -2,-0.4 2,-0.3 -0.868 17.5-139.9 -98.8 120.6 100.0 52.2 14.6 65 67 A E E +b 29 0A 45 -2,-0.5 -35,-0.2 -61,-0.2 2,-0.2 -0.730 34.7 161.2 -75.5 136.6 99.6 52.3 10.6 66 68 A I E -b 30 0A 0 -37,-1.1 -35,-0.6 -2,-0.3 2,-0.4 -0.802 20.7-123.6-145.1-177.0 96.0 51.5 9.6 67 69 A Y + 0 0 26 -2,-0.2 2,-0.3 -37,-0.2 19,-0.3 -0.947 35.4 154.8-157.6 132.8 93.8 52.1 6.3 68 70 A T + 0 0 4 -2,-0.4 3,-0.4 14,-0.1 -36,-0.2 -0.901 62.8 25.1-126.0 157.4 91.0 53.3 4.3 69 71 A G S > S- 0 0 0 12,-2.5 3,-1.4 -2,-0.3 34,-0.1 -0.538 110.0 -13.5 116.7-153.8 91.3 54.1 0.6 70 72 A E G >> S+ 0 0 78 1,-0.3 4,-0.7 -2,-0.2 3,-0.5 0.930 119.8 72.8 -67.5 -32.4 93.3 53.3 -2.4 71 73 A K G 34 S+ 0 0 62 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.298 87.2 64.2 -68.4 17.5 95.8 51.6 -0.1 72 74 A S G <4>S+ 0 0 0 -3,-1.4 5,-0.6 -2,-0.2 -1,-0.2 -0.417 90.3 61.9-134.9 50.7 93.4 48.6 0.5 73 75 A T T X45S+ 0 0 11 -3,-0.5 2,-1.4 3,-0.2 3,-1.3 0.285 110.5 38.0-128.3 -63.4 93.3 47.3 -2.8 74 76 A Q T 3<5S+ 0 0 172 -4,-0.7 -2,-0.1 1,-0.3 -3,-0.1 -0.205 127.2 40.0 -95.7 60.7 97.0 46.5 -3.0 75 77 A V T 3 5S- 0 0 55 -2,-1.4 -1,-0.3 0, 0.0 -3,-0.1 -0.115 145.1 -0.1-171.2 -20.1 96.7 45.5 0.7 76 78 A Y T < 5S- 0 0 95 -3,-1.3 2,-0.3 1,-0.1 -3,-0.2 0.417 89.0-141.7-142.4 -71.7 93.2 43.7 0.1 77 79 A G < + 0 0 10 -5,-0.6 2,-0.7 3,-0.1 -3,-0.1 -0.772 55.7 48.7 148.9 -98.8 91.9 43.8 -3.5 78 80 A Q S S- 0 0 156 -2,-0.3 -5,-0.1 1,-0.2 0, 0.0 -0.787 119.0 -29.8-112.4 115.8 88.4 44.2 -5.0 79 81 A D S S+ 0 0 94 -2,-0.7 2,-1.0 1,-0.1 3,-0.5 0.404 95.8 130.7 63.9 16.8 86.0 46.9 -3.9 80 82 A V + 0 0 52 1,-0.2 -1,-0.1 -8,-0.1 -2,-0.1 -0.105 15.3 123.1-104.9 58.2 87.6 46.8 -0.5 81 83 A W + 0 0 25 -2,-1.0 -12,-2.5 1,-0.2 -1,-0.2 0.666 69.5 54.7 -81.6 -22.3 88.3 50.4 0.0 82 84 A L S S- 0 0 67 -3,-0.5 -1,-0.2 -14,-0.2 -14,-0.1 -0.463 82.8-162.3-119.7 58.3 86.3 50.5 3.3 83 85 A P >> - 0 0 5 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.191 25.9-130.7 -79.0 151.0 87.6 47.9 5.8 84 86 A A H 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 -2,-0.0 0.693 100.1 44.7 -42.0 -58.5 86.5 46.3 8.7 85 87 A E H 3> S+ 0 0 45 2,-0.2 4,-2.3 1,-0.1 3,-0.5 0.806 103.8 60.9 -77.2 -34.1 89.4 46.7 11.2 86 88 A T H <> S+ 0 0 0 -3,-0.5 4,-1.2 -19,-0.3 3,-0.5 0.986 103.3 55.1 -56.6 -50.7 90.3 50.4 10.5 87 89 A L H X S+ 0 0 30 -4,-1.4 4,-0.6 1,-0.3 -1,-0.2 0.704 115.1 37.2 -51.3 -29.9 86.7 51.3 11.7 88 90 A D H X S+ 0 0 96 -4,-0.6 4,-1.0 -3,-0.5 -1,-0.3 0.818 104.9 64.6 -98.4 -27.4 87.2 49.5 15.0 89 91 A L H X S+ 0 0 20 -4,-2.3 4,-2.4 -3,-0.5 -2,-0.2 0.756 102.4 53.2 -67.3 -18.4 90.9 50.3 15.8 90 92 A I H < S+ 0 0 0 -4,-1.2 4,-0.5 2,-0.2 241,-0.5 0.930 111.1 45.9 -71.9 -44.2 89.9 54.1 16.0 91 93 A R H < S+ 0 0 72 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.538 118.7 43.8 -68.6 -22.5 87.1 53.2 18.5 92 94 A E H < S+ 0 0 104 -4,-1.0 -2,-0.2 237,-0.1 -3,-0.2 0.829 120.0 35.8 -96.6 -41.4 89.6 51.0 20.4 93 95 A Y S < S- 0 0 11 -4,-2.4 2,-2.6 -5,-0.1 -81,-0.3 0.335 96.4-148.3-100.1 20.0 92.9 53.2 20.5 94 96 A R S S+ 0 0 54 -4,-0.5 237,-1.5 -5,-0.1 2,-0.5 -0.162 70.2 58.5 41.5 -32.2 90.6 56.2 20.9 95 97 A V E + d 0 331A 2 -2,-2.6 2,-0.3 -69,-0.4 237,-0.2 -0.985 62.6 162.3-123.1 117.7 92.7 58.9 19.1 96 98 A A E - d 0 332A 0 235,-2.4 237,-2.0 -2,-0.5 2,-0.3 -0.945 19.2-155.2-125.7 154.3 93.7 58.4 15.5 97 99 A I E -cd 29 333A 0 -69,-2.3 -67,-2.4 -2,-0.3 2,-0.3 -0.843 10.7-174.9-120.4 163.5 94.9 60.6 12.7 98 100 A K E -cd 30 334A 4 235,-1.7 237,-0.6 -2,-0.3 -67,-0.2 -0.989 16.2-145.0-155.5 148.8 94.8 60.4 8.8 99 101 A G - 0 0 2 -69,-1.1 236,-0.3 -2,-0.3 -67,-0.2 0.114 57.4 -37.3 -86.8-152.6 95.9 62.1 5.5 100 102 A P - 0 0 3 0, 0.0 -67,-1.2 0, 0.0 2,-0.4 -0.350 52.9-136.4 -74.5 166.8 93.9 62.4 2.1 101 103 A L - 0 0 24 -69,-0.2 2,-0.7 -32,-0.1 238,-0.2 -0.936 7.6-155.7-137.0 114.4 91.5 59.8 0.4 102 104 A T - 0 0 45 -2,-0.4 -32,-0.0 236,-0.1 -70,-0.0 -0.799 13.7-171.5 -87.6 113.0 90.9 58.5 -3.2 103 105 A T - 0 0 40 -2,-0.7 2,-0.1 1,-0.1 -33,-0.1 -0.667 24.7-129.4 -81.9 156.2 87.5 57.2 -3.5 104 106 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.265 6.2-127.9 -83.6-167.5 87.2 55.4 -6.9 105 107 A V S S+ 0 0 143 -2,-0.1 2,-1.5 3,-0.1 3,-0.1 -0.899 87.1 24.3-127.9 154.0 84.7 55.9 -9.5 106 108 A G S S+ 0 0 72 -2,-0.3 2,-0.5 3,-0.1 0, 0.0 -0.543 102.1 76.2 92.1 -78.4 83.0 52.8 -10.9 107 109 A G S S- 0 0 30 -2,-1.5 2,-1.3 1,-0.1 -28,-0.0 -0.623 100.4-121.8 -61.0 114.0 83.3 50.4 -8.1 108 110 A G + 0 0 79 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 -0.575 56.2 145.9 -73.0 92.1 80.6 52.1 -6.1 109 111 A I - 0 0 19 -2,-1.3 2,-0.5 -5,-0.1 3,-0.1 -0.963 44.1-128.4-114.3 137.9 82.0 53.3 -2.8 110 112 A R - 0 0 118 -2,-0.4 5,-0.1 1,-0.2 -2,-0.0 -0.847 56.3 -50.4-115.0 128.5 80.5 56.7 -1.4 111 113 A S > - 0 0 67 -2,-0.5 4,-2.3 -7,-0.1 3,-0.4 0.897 53.2-148.3 -2.2 107.2 82.8 59.6 -0.3 112 114 A L H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.640 92.2 57.7 -60.3 -17.5 85.2 57.9 2.0 113 115 A N H > S+ 0 0 33 2,-0.2 4,-2.0 -12,-0.1 -1,-0.2 0.923 114.1 37.4 -74.7 -47.7 85.7 61.1 4.2 114 116 A V H > S+ 0 0 12 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.836 112.6 63.4 -71.4 -28.3 81.9 61.3 5.0 115 117 A A H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.878 109.0 36.1 -64.6 -44.0 81.8 57.5 5.1 116 118 A L H X S+ 0 0 4 -4,-1.2 4,-1.8 2,-0.2 5,-0.4 0.971 109.5 63.4 -75.9 -54.0 84.1 57.3 8.1 117 119 A R H <>S+ 0 0 17 -4,-2.0 5,-2.7 1,-0.2 4,-0.4 0.844 118.7 28.4 -34.9 -41.1 82.6 60.5 9.7 118 120 A Q H <5S+ 0 0 78 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.808 111.2 60.7 -99.5 -23.8 79.2 58.5 10.0 119 121 A E H <5S+ 0 0 95 -4,-1.9 -3,-0.2 -3,-0.3 -2,-0.2 0.863 117.2 37.3 -71.3 -28.9 80.2 54.7 10.3 120 122 A L T <5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.755 115.4-122.9 -84.3 -14.5 82.1 55.7 13.5 121 123 A D T 5 + 0 0 72 -4,-0.4 2,-1.0 -5,-0.4 207,-0.4 0.885 44.8 170.3 58.6 64.4 79.3 58.3 14.5 122 124 A L < - 0 0 4 -5,-2.7 205,-0.3 -6,-0.3 -1,-0.1 -0.755 8.0-178.1-102.2 87.8 81.6 61.4 14.7 123 125 A Y + 0 0 22 -2,-1.0 30,-2.0 203,-0.3 2,-0.4 0.691 57.8 64.2 -55.5 -40.8 79.0 64.3 15.0 124 126 A I E -EF 152 326A 10 202,-1.7 202,-2.2 28,-0.2 2,-0.5 -0.824 55.6-167.8 -98.9 125.3 81.3 67.2 15.1 125 127 A C E -EF 151 325A 0 26,-1.4 26,-1.2 -2,-0.4 2,-0.8 -0.987 21.1-153.4 -98.9 124.2 83.6 68.4 12.4 126 128 A L E +EF 150 324A 9 198,-3.4 198,-0.8 -2,-0.5 24,-0.2 -0.822 20.4 171.0-110.7 106.3 86.0 71.0 14.1 127 129 A R E -E 149 0A 14 22,-1.6 22,-2.2 -2,-0.8 2,-0.5 -0.819 7.3-176.8-123.0 86.7 87.3 73.5 11.7 128 130 A P E -E 148 0A 32 0, 0.0 2,-0.5 0, 0.0 20,-0.2 -0.689 5.9-169.0 -70.6 122.0 89.2 76.4 13.3 129 131 A V E +E 147 0A 7 18,-1.0 18,-2.0 -2,-0.5 2,-0.2 -0.981 21.6 140.7-120.8 135.7 90.4 79.0 10.8 130 132 A R - 0 0 128 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.801 41.0 -98.9-148.1-173.0 92.8 81.8 11.8 131 133 A Y - 0 0 25 -2,-0.2 2,-0.4 12,-0.2 185,-0.1 -0.969 4.6-142.9-136.6 153.8 95.9 83.7 10.3 132 134 A Y > - 0 0 25 -2,-0.4 2,-2.0 183,-0.3 3,-1.1 -0.906 53.8 -97.3-104.9 122.1 99.7 83.5 10.5 133 135 A Q T 3 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