==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 06-NOV-12 3W15 . COMPND 2 MOLECULE: PEROXISOMAL TARGETING SIGNAL 2 RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.PAN,T.NAKATSU,H.KATO . 797 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 49 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 1 1 2 2 2 1 4 1 3 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 PARALLEL BRIDGES PER LADDER . 2 4 2 7 15 0 2 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 . 3 2 8 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 A M 0 0 86 0, 0.0 2,-0.3 0, 0.0 335,-0.2 0.000 360.0 360.0 360.0 140.3 29.3 -25.4 -16.2 2 2 A L E -A 335 0A 51 333,-2.2 333,-2.5 48,-0.1 2,-0.3 -0.648 360.0-171.1 -86.0 143.2 27.1 -24.1 -19.0 3 3 A R E -A 334 0A 136 -2,-0.3 48,-0.6 331,-0.2 2,-0.3 -0.969 24.3-178.2-142.9 151.2 27.8 -20.5 -20.2 4 4 A Y E -A 333 0A 49 329,-1.9 329,-2.7 -2,-0.3 2,-0.5 -0.974 18.5-144.8-146.1 137.5 26.6 -17.6 -22.3 5 5 A H E -A 332 0A 87 -2,-0.3 2,-0.8 327,-0.2 327,-0.2 -0.885 3.6-160.4-110.0 128.8 28.3 -14.2 -22.9 6 6 A M > - 0 0 1 325,-3.4 3,-1.5 -2,-0.5 2,-0.2 -0.887 29.7-130.4-103.7 100.7 26.5 -10.9 -23.4 7 7 A Q T 3 S- 0 0 156 -2,-0.8 3,-0.1 1,-0.3 324,-0.1 -0.322 81.3 -10.0 -63.9 116.6 29.0 -8.7 -25.0 8 8 A G T 3 S+ 0 0 43 1,-0.2 23,-0.7 -2,-0.2 391,-0.4 0.378 111.1 109.5 81.5 -3.9 29.3 -5.3 -23.3 9 9 A F E < -D 30 0B 18 -3,-1.5 2,-0.5 21,-0.2 -1,-0.2 -0.786 58.6-142.6-106.4 148.1 26.3 -5.9 -21.1 10 10 A S E -D 29 0B 5 19,-2.8 19,-1.7 -2,-0.3 2,-0.4 -0.940 22.2-122.4-109.3 132.2 26.1 -6.5 -17.4 11 11 A G E +D 28 0B 0 317,-2.5 300,-0.4 -2,-0.5 17,-0.2 -0.575 35.0 166.1 -76.0 126.4 23.6 -9.0 -16.0 12 12 A Y E + 0 0 7 15,-3.1 2,-0.3 1,-0.4 16,-0.2 0.631 66.8 7.9-108.5 -27.9 21.2 -7.5 -13.4 13 13 A G E -D 27 0B 0 14,-1.6 14,-2.4 299,-0.2 -1,-0.4 -0.990 56.0-170.8-154.9 151.5 18.5 -10.2 -13.2 14 14 A V E +D 26 0B 10 -2,-0.3 2,-0.3 12,-0.2 299,-0.3 -0.994 7.9 175.5-142.3 140.9 17.9 -13.7 -14.5 15 15 A Q E -D 25 0B 36 10,-2.2 10,-2.4 -2,-0.3 2,-0.2 -0.962 26.4-127.5-148.0 136.4 14.8 -16.0 -14.4 16 16 A Y E -D 24 0B 8 -2,-0.3 8,-0.3 299,-0.3 52,-0.2 -0.518 40.0-102.8 -70.5 142.5 13.9 -19.4 -15.7 17 17 A S - 0 0 5 6,-2.9 300,-0.2 3,-0.4 6,-0.2 -0.446 18.8-144.5 -61.9 136.2 10.6 -19.6 -17.8 18 18 A P S S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.551 99.3 38.7 -78.1 -5.9 7.8 -21.1 -15.8 19 19 A F S S+ 0 0 89 1,-0.2 2,-0.6 54,-0.2 54,-0.1 0.737 110.7 52.4-112.4 -37.4 6.5 -22.8 -19.0 20 20 A F > - 0 0 63 3,-0.1 3,-1.9 1,-0.1 -3,-0.4 -0.927 65.1-153.6-112.9 114.6 9.6 -23.9 -20.9 21 21 A D T 3 S+ 0 0 116 -2,-0.6 297,-0.2 1,-0.3 -1,-0.1 0.680 95.5 42.6 -57.9 -22.4 12.1 -26.1 -19.0 22 22 A N T 3 S+ 0 0 48 -6,-0.0 23,-2.7 2,-0.0 2,-0.4 0.189 98.2 92.5-111.4 15.4 15.0 -25.1 -21.1 23 23 A R E < + E 0 44B 35 -3,-1.9 -6,-2.9 21,-0.2 2,-0.3 -0.904 41.7 163.2-119.5 136.3 14.3 -21.3 -21.4 24 24 A L E -DE 16 43B 0 19,-2.4 19,-3.2 -2,-0.4 2,-0.3 -0.963 21.3-142.5-142.8 166.1 15.5 -18.4 -19.4 25 25 A A E -DE 15 42B 0 -10,-2.4 -10,-2.2 -2,-0.3 2,-0.4 -0.963 7.6-159.1-130.0 146.3 15.7 -14.6 -19.7 26 26 A V E -DE 14 41B 0 15,-2.1 15,-2.5 -2,-0.3 2,-0.5 -0.987 8.1-149.5-125.9 133.9 18.3 -12.1 -18.5 27 27 A A E +DE 13 40B 0 -14,-2.4 -15,-3.1 -2,-0.4 -14,-1.6 -0.901 33.0 165.6-100.7 132.5 17.9 -8.3 -17.9 28 28 A A E -DE 11 39B 0 11,-1.8 11,-2.0 -2,-0.5 35,-1.7 -0.881 23.8-154.8-143.8 166.6 21.1 -6.4 -18.6 29 29 A G E -DE 10 38B 0 -19,-1.7 -19,-2.8 -2,-0.3 3,-0.4 -0.997 23.7-110.6-148.1 151.4 22.6 -3.0 -19.2 30 30 A S E > >S+D 9 0B 1 7,-2.7 3,-1.8 -2,-0.3 5,-0.8 -0.279 96.8 24.8 -72.0 163.2 25.5 -1.4 -20.9 31 31 A N G > 5S- 0 0 12 -23,-0.7 3,-2.0 1,-0.3 4,-0.2 0.866 138.8 -56.1 47.0 49.4 28.4 0.2 -18.9 32 32 A F G 3 5S- 0 0 30 -3,-0.4 -1,-0.3 -24,-0.3 -2,-0.2 0.689 98.6 -62.9 59.1 25.3 27.6 -1.9 -15.8 33 33 A G G < 5S+ 0 0 0 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.517 118.3 108.5 79.7 9.3 24.0 -0.7 -15.8 34 34 A L T < 5S- 0 0 1 -3,-2.0 2,-0.3 -4,-0.4 387,-0.2 0.794 85.8 -8.1 -89.0 -30.1 25.2 2.9 -15.2 35 35 A V S - 0 0 74 4,-2.1 3,-1.0 -2,-0.5 0, 0.0 -0.258 36.2 -86.2 -87.6-179.9 19.8 -27.5 -25.9 47 47 A R T 3 S+ 0 0 116 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.831 127.5 52.1 -53.1 -39.4 20.3 -31.2 -25.3 48 48 A S T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.737 119.0-108.5 -70.6 -26.4 24.1 -30.8 -25.4 49 49 A G < + 0 0 18 -3,-1.0 2,-0.3 1,-0.3 -46,-0.2 0.360 69.5 144.8 106.6 -1.4 24.0 -28.0 -22.8 50 50 A R - 0 0 46 -48,-0.1 -4,-2.1 -5,-0.1 2,-0.5 -0.556 44.5-138.8 -69.8 126.6 24.9 -25.2 -25.2 51 51 A I E -F 45 0B 16 -48,-0.6 2,-0.4 -2,-0.3 -6,-0.2 -0.786 24.8-172.9 -88.3 127.8 23.1 -22.0 -24.3 52 52 A V E -F 44 0B 70 -8,-3.2 -8,-3.0 -2,-0.5 2,-0.5 -0.966 26.1-124.0-126.3 136.2 21.8 -20.2 -27.4 53 53 A E E +F 43 0B 67 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.677 29.0 173.6 -73.5 123.9 20.2 -16.7 -27.9 54 54 A V E - 0 0 58 -12,-2.6 2,-0.3 -2,-0.5 -11,-0.2 0.620 66.9 -7.3-106.5 -21.4 16.8 -17.2 -29.5 55 55 A N E -F 42 0B 19 -13,-1.5 -13,-2.8 2,-0.0 -1,-0.4 -0.964 59.6-176.2-162.1 161.3 15.7 -13.6 -29.2 56 56 A S E -F 41 0B 25 -2,-0.3 38,-0.5 -15,-0.2 2,-0.4 -0.966 12.1-150.3-158.7 156.6 16.7 -10.3 -27.7 57 57 A F E -F 40 0B 0 -17,-2.1 -17,-2.3 -2,-0.3 2,-0.4 -0.985 11.8-144.7-133.7 119.4 15.3 -6.7 -27.4 58 58 A L E -F 39 0B 42 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.3 -0.690 21.3-162.1 -78.9 133.2 17.5 -3.6 -27.1 59 59 A T E -F 38 0B 5 -21,-2.8 -21,-1.7 -2,-0.4 343,-0.2 -0.809 28.6-116.3-116.7 160.7 15.9 -0.9 -24.8 60 60 A Q S S+ 0 0 60 -2,-0.3 2,-0.3 -23,-0.2 -24,-0.1 0.841 97.4 24.1 -62.4 -39.0 16.6 2.8 -24.5 61 61 A D S S- 0 0 24 -24,-0.2 -23,-0.5 1,-0.1 -24,-0.2 -0.861 101.3 -70.8-128.9 163.0 17.9 2.5 -20.9 62 62 A C - 0 0 0 -26,-0.7 19,-2.3 -2,-0.3 2,-0.5 -0.077 42.7-130.2 -52.9 142.8 19.4 -0.2 -18.7 63 63 A L E -G 80 0C 0 -35,-1.7 17,-0.2 17,-0.2 -51,-0.2 -0.868 21.6-177.9 -99.8 132.7 17.3 -3.1 -17.5 64 64 A F E - 0 0 5 15,-2.9 2,-0.3 -2,-0.5 16,-0.1 0.631 62.4 -6.3-106.7 -18.0 17.4 -3.9 -13.8 65 65 A D E -G 79 0C 14 14,-0.9 14,-2.4 42,-0.1 2,-0.3 -0.971 55.1-150.5-164.7 168.4 15.1 -6.9 -13.5 66 66 A L E -G 78 0C 3 -2,-0.3 2,-0.3 12,-0.2 44,-0.2 -0.962 2.6-166.3-142.5 161.2 12.7 -9.2 -15.3 67 67 A A E -G 77 0C 1 10,-2.4 10,-3.5 -2,-0.3 2,-0.1 -0.923 21.2-131.7-149.8 124.0 9.6 -11.3 -14.6 68 68 A W E -G 76 0C 2 -2,-0.3 2,-0.6 8,-0.3 8,-0.3 -0.480 35.1-105.6 -68.5 143.9 8.1 -14.0 -16.8 69 69 A N > - 0 0 7 6,-2.8 3,-1.2 3,-0.4 6,-0.3 -0.640 24.8-155.0 -72.8 115.5 4.3 -13.7 -17.2 70 70 A E T 3 S+ 0 0 23 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.611 93.2 46.0 -69.3 -10.3 2.9 -16.5 -15.1 71 71 A S T 3 S+ 0 0 67 46,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.368 112.6 47.2-111.3 -0.8 -0.3 -16.5 -17.3 72 72 A H X - 0 0 38 -3,-1.2 3,-1.8 3,-0.2 -3,-0.4 -0.884 63.1-152.6-150.5 114.9 1.3 -16.4 -20.8 73 73 A E T 3 S+ 0 0 92 -2,-0.3 -54,-0.2 1,-0.3 -53,-0.1 0.644 96.5 46.9 -62.1 -19.6 4.2 -18.5 -22.0 74 74 A N T 3 S+ 0 0 37 15,-0.0 16,-3.1 -55,-0.0 2,-0.4 0.327 95.9 89.7-105.7 6.8 5.4 -16.0 -24.5 75 75 A Q E < + H 0 89C 23 -3,-1.8 -6,-2.8 -6,-0.3 2,-0.3 -0.879 43.7 172.2-117.4 140.6 5.4 -12.9 -22.4 76 76 A V E -GH 68 88C 0 12,-2.2 12,-2.8 -2,-0.4 2,-0.3 -0.996 18.5-143.7-148.5 134.8 8.1 -11.4 -20.1 77 77 A L E -GH 67 87C 0 -10,-3.5 -10,-2.4 -2,-0.3 2,-0.3 -0.735 12.2-163.5-101.1 144.2 8.3 -8.1 -18.2 78 78 A V E -GH 66 86C 0 8,-2.4 8,-1.9 -2,-0.3 2,-0.5 -0.957 15.8-136.4-125.3 153.1 11.3 -5.9 -17.6 79 79 A A E -GH 65 85C 0 -14,-2.4 -15,-2.9 -2,-0.3 -14,-0.9 -0.924 29.4-156.6-106.7 127.0 12.0 -3.1 -15.2 80 80 A Q E > -G 63 0C 0 4,-2.6 27,-1.9 -2,-0.5 3,-1.4 -0.715 25.7-124.5-115.0 154.5 13.8 -0.2 -16.8 81 81 A G T 3 S+ 0 0 5 -19,-2.3 25,-0.2 1,-0.3 -18,-0.1 0.598 105.4 66.7 -70.6 -12.3 16.1 2.7 -15.6 82 82 A D T 3 S- 0 0 65 -20,-0.2 -1,-0.3 2,-0.1 24,-0.1 0.355 122.2 -99.5 -90.3 3.9 13.8 5.4 -17.1 83 83 A G S < S+ 0 0 0 -3,-1.4 20,-0.8 1,-0.4 19,-0.7 0.392 88.2 116.5 92.4 -1.6 11.0 4.5 -14.6 84 84 A T E - I 0 101C 3 17,-0.2 -4,-2.6 18,-0.1 2,-0.4 -0.565 52.5-150.2 -92.8 158.7 9.1 2.4 -17.1 85 85 A L E -HI 79 100C 0 15,-2.0 15,-3.2 -6,-0.2 2,-0.4 -0.953 17.4-160.8-115.8 149.1 8.2 -1.3 -17.1 86 86 A R E -HI 78 99C 8 -8,-1.9 -8,-2.4 -2,-0.4 2,-0.5 -0.996 8.6-149.4-135.6 133.2 7.8 -2.9 -20.5 87 87 A L E -HI 77 98C 2 11,-2.8 10,-3.0 -2,-0.4 11,-1.5 -0.901 18.5-166.1-104.6 130.9 6.1 -6.2 -21.4 88 88 A F E -H 76 0C 1 -12,-2.8 -12,-2.2 -2,-0.5 2,-0.5 -0.879 19.6-145.9-115.9 145.0 7.4 -8.2 -24.4 89 89 A D E > -H 75 0C 2 6,-0.4 3,-1.6 -2,-0.3 -14,-0.2 -0.974 17.7-145.0-104.0 122.7 6.1 -11.0 -26.4 90 90 A T T 3 S+ 0 0 13 -16,-3.1 -15,-0.1 -2,-0.5 -1,-0.1 0.559 93.6 69.4 -67.6 -9.2 9.0 -13.2 -27.4 91 91 A T T 3 S+ 0 0 69 -17,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.809 95.0 67.2 -72.8 -33.4 7.4 -14.0 -30.8 92 92 A F S < S- 0 0 34 -3,-1.6 2,-0.3 3,-0.1 5,-0.0 -0.260 78.0-126.0 -85.3 171.5 7.9 -10.4 -31.9 93 93 A K - 0 0 125 -38,-0.1 2,-2.9 -2,-0.1 -36,-0.1 -0.849 68.3 -8.9-113.8 154.3 11.0 -8.4 -32.7 94 94 A E S S+ 0 0 129 -38,-0.5 -36,-0.1 -2,-0.3 -2,-0.0 -0.211 110.8 58.4 75.2 -51.1 12.5 -5.1 -31.5 95 95 A F S S- 0 0 11 -2,-2.9 -6,-0.4 -6,-0.1 313,-0.1 -0.760 73.4-116.7-121.6 158.6 9.6 -3.6 -29.5 96 96 A P - 0 0 5 0, 0.0 313,-2.1 0, 0.0 -8,-0.3 -0.289 16.6-132.3 -80.2 172.5 7.4 -4.5 -26.5 97 97 A I S S+ 0 0 40 -10,-3.0 2,-0.3 1,-0.3 -9,-0.2 0.560 89.0 19.5 -97.8 -14.4 3.6 -5.1 -26.5 98 98 A A E -I 87 0C 18 -11,-1.5 -11,-2.8 2,-0.0 2,-0.4 -0.980 59.5-157.9-155.7 144.2 3.0 -2.8 -23.5 99 99 A I E -I 86 0C 46 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.988 7.2-159.2-123.9 135.1 4.7 0.1 -21.6 100 100 A F E +I 85 0C 3 -15,-3.2 -15,-2.0 -2,-0.4 2,-0.6 -0.962 14.3 180.0-119.1 112.5 3.8 1.0 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127.6 32.8 -2.5 24.8 701 284 C N B > -C 510 0J 2 -209,-2.7 3,-1.8 -2,-0.5 -191,-0.3 -0.398 15.9-139.4 -59.6 125.9 32.3 -4.0 21.3 702 285 C A T 3 S+ 0 0 38 -193,-2.9 -192,-0.2 1,-0.3 -1,-0.2 0.723 104.2 53.0 -60.6 -21.2 34.0 -7.4 21.1 703 286 C A T 3 S+ 0 0 46 -194,-0.4 -1,-0.3 -214,-0.1 -267,-0.1 0.423 81.9 120.2 -94.2 -0.6 35.2 -6.4 17.5 704 287 C S X - 0 0 1 -3,-1.8 3,-0.5 -212,-0.2 -215,-0.1 -0.461 51.0-159.4 -67.8 131.9 36.7 -3.1 18.6 705 288 C P T 3 S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.347 90.7 64.1 -84.3 4.0 40.4 -2.6 17.9 706 289 C N T 3> + 0 0 5 1,-0.1 4,-2.6 2,-0.1 5,-0.2 -0.127 57.4 130.3-119.5 33.3 40.3 0.1 20.6 707 290 C K H <> S+ 0 0 86 -3,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.847 76.2 48.5 -61.2 -36.5 39.5 -1.9 23.7 708 291 C E H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 111.7 49.1 -72.2 -36.9 42.3 -0.4 25.8 709 292 C L H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.8 51.3 -65.8 -41.7 41.4 3.2 24.8 710 293 C A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.908 109.2 50.3 -60.3 -44.2 37.7 2.4 25.7 711 294 C K H X S+ 0 0 67 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.923 111.2 48.4 -59.5 -47.5 38.8 1.1 29.1 712 295 C E H X S+ 0 0 81 -4,-2.1 4,-2.0 1,-0.2 5,-0.4 0.921 113.7 47.4 -59.0 -47.7 40.9 4.2 29.7 713 296 C F H X>S+ 0 0 0 -4,-2.6 5,-2.6 3,-0.2 4,-1.3 0.949 116.9 41.8 -57.8 -51.9 38.0 6.5 28.7 714 297 C L H <>S+ 0 0 0 -4,-3.0 5,-2.7 3,-0.2 -2,-0.2 0.935 123.1 35.2 -66.5 -45.4 35.4 4.6 30.8 715 298 C E H <5S+ 0 0 19 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.889 128.8 29.0 -78.4 -40.5 37.4 4.1 34.0 716 299 C N H <5S+ 0 0 81 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.531 132.7 24.3-106.1 -8.2 39.5 7.3 34.2 717 300 C Y T <5S+ 0 0 30 -4,-1.3 3,-0.4 -5,-0.4 6,-0.3 0.708 126.9 31.1-119.5 -56.6 37.3 9.8 32.4 718 301 C L T S- 0 0 32 -2,-2.0 4,-2.6 -3,-0.4 5,-0.3 -0.907 92.0-105.0-135.5 160.6 34.8 9.9 37.9 721 304 C D H > S+ 0 0 52 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.908 123.5 48.8 -55.1 -40.3 32.9 12.7 39.7 722 305 C E H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 111.9 48.1 -67.6 -40.1 33.9 15.1 36.9 723 306 C G H > S+ 0 0 3 -6,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.930 114.5 43.5 -68.1 -48.1 32.8 12.7 34.1 724 307 C L H X S+ 0 0 0 -4,-2.6 4,-3.1 -6,-0.3 -2,-0.2 0.859 109.9 57.4 -69.7 -32.8 29.4 11.9 35.5 725 308 C E H X S+ 0 0 86 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.912 103.8 53.2 -60.7 -43.8 28.8 15.5 36.4 726 309 C A H X S+ 0 0 11 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.894 115.0 40.2 -60.0 -42.2 29.3 16.6 32.8 727 310 C V H >X S+ 0 0 7 -4,-1.4 4,-2.3 -274,-0.2 3,-0.8 0.939 115.6 52.0 -68.5 -47.9 26.7 14.0 31.6 728 311 C N H 3< S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.846 104.6 54.3 -61.4 -39.9 24.3 14.7 34.6 729 312 C K H 3< S+ 0 0 142 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.742 109.9 48.9 -70.7 -21.2 24.2 18.5 34.0 730 313 C D H << S- 0 0 55 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.954 140.5 -11.7 -74.9 -59.7 23.2 17.9 30.4 731 314 C K S < S- 0 0 61 -4,-2.3 -281,-0.4 -281,-0.1 -1,-0.3 -0.964 88.2-103.6-142.0 128.1 20.4 15.4 31.4 732 315 C P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.188 19.3-155.8 -57.6 137.4 20.2 14.0 34.9 733 316 C L - 0 0 23 1,-0.3 2,-0.3 -9,-0.1 -189,-0.2 0.644 27.8-142.4 -81.4 -16.2 21.4 10.4 35.3 734 317 C G - 0 0 7 -191,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.733 66.7 -2.4 82.3-141.8 19.2 9.8 38.4 735 318 C A E S-B 544 0I 0 -191,-0.9 -191,-2.7 -2,-0.3 2,-0.3 -0.540 81.5-145.6 -76.0 152.0 21.1 7.6 40.9 736 319 C V E -B 543 0I 0 -193,-0.3 -193,-0.3 -2,-0.2 -212,-0.1 -0.831 20.2-131.2-124.1 159.9 24.5 6.5 39.8 737 320 C A S S+ 0 0 0 -195,-2.0 -213,-2.0 -2,-0.3 2,-0.6 0.711 83.9 93.3 -78.5 -24.2 26.7 3.4 40.3 738 321 C L B > -D 523 0K 4 -196,-0.5 4,-2.7 -215,-0.2 -215,-0.2 -0.642 69.4-149.5 -77.6 118.1 29.8 5.4 41.3 739 322 C K H > S+ 0 0 63 -217,-2.5 4,-2.4 -2,-0.6 5,-0.2 0.890 91.0 50.7 -56.3 -47.1 29.8 5.7 45.1 740 323 C S H > S+ 0 0 60 -218,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.919 116.1 39.8 -61.4 -45.8 31.5 9.1 45.3 741 324 C Y H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.852 111.8 57.4 -76.2 -32.5 29.2 10.8 42.9 742 325 C E H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.926 105.5 51.4 -59.8 -42.5 26.1 9.0 44.3 743 326 C E H < S+ 0 0 135 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.903 110.4 49.2 -62.2 -38.5 27.0 10.5 47.7 744 327 C E H >< S+ 0 0 71 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.933 116.2 41.5 -63.7 -47.7 27.2 13.9 46.1 745 328 C L H >< S+ 0 0 27 -4,-2.7 3,-2.1 1,-0.2 6,-0.3 0.809 99.6 75.8 -67.1 -31.2 23.8 13.5 44.3 746 329 C A T 3< + 0 0 26 -4,-2.6 6,-0.3 1,-0.3 -1,-0.2 0.474 68.3 83.4 -73.1 -3.3 22.1 11.9 47.3 747 330 C K T < S+ 0 0 164 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.801 78.7 80.3 -63.3 -27.2 21.7 15.1 49.3 748 331 C D S X> S- 0 0 45 -3,-2.1 4,-2.0 -4,-0.2 3,-1.0 -0.751 84.3-148.3 -71.0 112.4 18.7 15.3 47.0 749 332 C P H 3> S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.754 94.0 63.6 -60.2 -24.8 16.3 13.0 48.9 750 333 C R H 3> S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -15,-0.1 0.883 106.9 42.4 -64.7 -40.6 14.7 11.9 45.6 751 334 C I H <> S+ 0 0 11 -3,-1.0 4,-2.4 -6,-0.3 5,-0.2 0.927 112.2 53.8 -70.3 -47.2 18.0 10.4 44.4 752 335 C A H X S+ 0 0 38 -4,-2.0 4,-2.6 -6,-0.3 -2,-0.2 0.898 110.3 48.0 -51.0 -44.9 18.6 8.9 47.9 753 336 C A H X S+ 0 0 3 -4,-2.4 4,-3.1 -75,-0.2 5,-0.3 0.885 107.8 54.7 -65.9 -40.6 15.1 7.2 47.7 754 337 C T H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.938 113.1 42.2 -58.0 -47.4 15.8 5.9 44.2 755 338 C M H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.906 113.8 52.4 -67.4 -41.0 19.0 4.2 45.4 756 339 C E H X S+ 0 0 63 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.944 112.4 44.3 -60.8 -49.2 17.3 3.0 48.6 757 340 C N H X S+ 0 0 2 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.866 113.7 51.9 -63.1 -35.5 14.5 1.4 46.6 758 341 C A H >< S+ 0 0 2 -4,-2.1 3,-0.8 -5,-0.3 -2,-0.2 0.922 108.3 50.0 -66.2 -44.0 17.0 -0.0 44.1 759 342 C Q H 3< S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 114.2 46.3 -64.0 -29.6 19.1 -1.6 46.8 760 343 C K H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.542 110.8 65.6 -87.9 -9.7 15.9 -3.2 48.3 761 344 C G S << S- 0 0 11 -3,-0.8 2,-0.4 -4,-0.7 -69,-0.2 0.010 86.5 -97.2 -94.8-158.0 14.7 -4.4 44.9 762 345 C E E -l 692 0P 96 -71,-1.8 -69,-2.3 -72,-0.1 2,-0.1 -0.979 32.8-105.4-128.6 141.5 15.9 -6.9 42.4 763 346 C I E -l 693 0P 28 -2,-0.4 -69,-0.1 -71,-0.2 -71,-0.1 -0.407 45.9-103.5 -59.4 131.2 18.0 -6.5 39.2 764 347 C M - 0 0 22 -71,-2.5 -1,-0.1 -2,-0.1 -69,-0.1 -0.439 43.8-109.0 -55.9 122.6 15.9 -6.8 36.1 765 348 C P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.330 21.3-145.1 -58.8 138.9 16.7 -10.3 34.7 766 349 C N + 0 0 16 -3,-0.1 -263,-0.1 -264,-0.1 -2,-0.1 -0.053 61.8 106.3-100.8 30.7 18.7 -10.1 31.5 767 350 C I S > S- 0 0 23 -265,-0.1 3,-1.5 1,-0.1 4,-0.2 -0.804 76.3-120.4-111.3 152.1 17.2 -13.1 29.7 768 351 C P T > S+ 0 0 92 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.718 103.2 75.6 -60.0 -25.7 14.7 -13.2 26.7 769 352 C Q T 3> S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 3,-0.1 0.531 72.3 84.9 -69.0 -7.0 12.1 -15.2 28.8 770 353 C M H <> S+ 0 0 12 -3,-1.5 4,-3.3 1,-0.2 -1,-0.3 0.819 83.3 58.6 -62.2 -31.3 11.2 -11.9 30.6 771 354 C S H <> S+ 0 0 87 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.888 105.5 48.5 -66.3 -37.6 8.8 -11.1 27.7 772 355 C A H > S+ 0 0 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