==== 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 TRANSLATION 09-JAN-08 3BWH . COMPND 2 MOLECULE: CUCURMOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MOSCHATA; . AUTHOR L.CHEN . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 0 3 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 A N 0 0 117 0, 0.0 2,-0.2 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 143.3 37.1 25.4 8.3 2 2 A V E -a 50 0A 39 47,-0.9 49,-2.6 18,-0.1 2,-0.4 -0.480 360.0-164.3 -57.2 127.7 38.5 22.5 10.3 3 3 A R E -a 51 0A 120 47,-0.2 2,-0.5 -2,-0.2 49,-0.2 -0.957 26.8-165.2-133.0 138.7 38.0 19.7 7.8 4 4 A F E -a 52 0A 5 47,-2.6 49,-2.4 -2,-0.4 2,-0.4 -0.991 14.1-169.4-121.1 123.5 38.0 15.9 7.8 5 5 A D E > -a 53 0A 44 -2,-0.5 3,-0.5 47,-0.2 49,-0.2 -0.920 20.1-151.0-114.2 138.5 38.2 14.0 4.5 6 6 A L G > S+ 0 0 6 47,-2.3 3,-1.2 -2,-0.4 49,-0.2 0.759 89.1 74.5 -75.5 -23.7 37.6 10.3 4.0 7 7 A S G 3 S+ 0 0 99 47,-0.3 -1,-0.2 1,-0.3 48,-0.1 0.848 112.8 25.9 -58.0 -34.5 39.9 10.1 0.9 8 8 A S G < S+ 0 0 64 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.166 91.2 149.5-111.5 14.3 43.0 10.4 3.2 9 9 A A < + 0 0 20 -3,-1.2 2,-0.3 4,-0.1 -3,-0.1 -0.285 10.2 151.5 -61.0 126.8 41.4 9.0 6.4 10 10 A T > - 0 0 68 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.891 60.5 -99.8-138.2 170.0 43.7 7.1 8.7 11 11 A S H > S+ 0 0 35 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.940 125.7 48.1 -56.3 -44.4 43.7 6.6 12.5 12 12 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 109.7 49.8 -65.8 -40.8 46.2 9.5 12.8 13 13 A S H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 110.7 50.7 -70.4 -31.9 44.3 11.9 10.5 14 14 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 110.5 49.0 -67.7 -45.6 41.1 11.4 12.5 15 15 A K H X S+ 0 0 74 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.902 110.8 51.3 -58.6 -40.4 42.9 12.0 15.8 16 16 A T H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.910 108.4 51.6 -63.7 -42.8 44.4 15.2 14.2 17 17 A F H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 111.1 46.7 -57.1 -48.7 40.9 16.3 13.1 18 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.903 111.2 52.1 -65.6 -39.4 39.5 15.8 16.7 19 19 A K H X S+ 0 0 144 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 111.4 47.3 -57.7 -45.5 42.5 17.7 18.2 20 20 A N H X S+ 0 0 74 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.853 110.1 52.5 -66.9 -35.6 41.9 20.6 15.8 21 21 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 3,-0.4 0.960 111.3 46.6 -61.6 -51.4 38.2 20.6 16.6 22 22 A R H >< S+ 0 0 20 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.920 112.2 51.2 -55.0 -45.9 39.0 20.8 20.4 23 23 A E H 3< S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.785 100.5 62.5 -65.9 -29.8 41.5 23.6 19.7 24 24 A A H 3< S+ 0 0 41 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.659 86.4 89.8 -70.5 -17.8 39.1 25.7 17.7 25 25 A L S << S- 0 0 2 -3,-1.2 2,-0.1 -4,-0.7 42,-0.0 -0.690 83.3-122.7 -81.9 127.8 36.8 26.0 20.8 26 26 A P - 0 0 46 0, 0.0 12,-0.7 0, 0.0 2,-0.3 -0.438 32.2-148.0 -66.4 146.4 37.6 29.0 23.0 27 27 A K E -F 37 0B 64 10,-0.2 10,-0.2 -4,-0.1 3,-0.1 -0.832 24.8-146.9-119.1 157.2 38.3 28.1 26.6 28 28 A D E - 0 0 95 8,-3.3 2,-0.2 1,-0.4 9,-0.1 -0.267 68.6 -85.7-107.7 38.1 37.8 29.6 30.1 29 29 A G E - 0 0 42 7,-0.2 7,-2.6 4,-0.0 -1,-0.4 -0.530 58.8 -66.7 90.0-161.5 41.1 28.0 31.4 30 30 A K E -F 35 0B 130 5,-0.3 2,-0.4 -2,-0.2 3,-0.0 -0.952 26.2-157.7-130.8 150.1 41.6 24.5 32.8 31 31 A V E > S-F 34 0B 15 3,-2.3 3,-2.0 -2,-0.3 167,-0.1 -0.999 90.7 -9.0-125.9 125.8 40.4 22.6 36.0 32 32 A Y T 3 S- 0 0 100 -2,-0.4 -1,-0.1 1,-0.3 166,-0.0 0.885 132.4 -57.8 47.0 43.1 42.6 19.6 36.9 33 33 A D T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.547 113.4 121.0 68.6 11.4 44.3 20.1 33.6 34 34 A I E < -F 31 0B 7 -3,-2.0 -3,-2.3 203,-0.0 -1,-0.2 -0.916 68.1-116.5-105.4 123.5 41.0 19.7 31.6 35 35 A P E -F 30 0B 25 0, 0.0 203,-2.3 0, 0.0 2,-0.4 -0.334 26.0-147.6 -57.6 135.8 39.9 22.7 29.4 36 36 A V E -g 238 0C 5 -7,-2.6 -8,-3.3 201,-0.2 203,-0.2 -0.888 14.0-125.0-104.9 136.1 36.6 24.3 30.5 37 37 A L E -F 27 0B 0 201,-2.9 -10,-0.2 -2,-0.4 30,-0.1 -0.317 36.4 -89.7 -74.6 159.8 34.3 25.9 27.9 38 38 A L - 0 0 31 -12,-0.7 202,-0.4 28,-0.3 -1,-0.1 -0.310 20.5-141.5 -65.3 154.8 33.1 29.5 28.2 39 39 A S S S- 0 0 69 1,-0.3 2,-0.3 200,-0.1 -1,-0.1 0.784 84.8 -3.1 -82.5 -32.4 29.9 30.4 30.1 40 40 A T - 0 0 105 2,-0.0 -1,-0.3 27,-0.0 2,-0.3 -0.962 66.1-175.6-154.7 161.2 28.9 33.0 27.5 41 41 A V - 0 0 32 -2,-0.3 5,-0.1 -3,-0.1 26,-0.1 -0.978 36.1 -89.5-161.9 149.8 30.4 34.6 24.4 42 42 A M > - 0 0 99 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.323 42.2-113.1 -64.2 148.7 29.6 37.3 21.9 43 43 A D G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.821 113.2 62.9 -52.2 -39.2 27.5 36.3 18.9 44 44 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.624 114.0 34.6 -65.9 -12.2 30.3 36.8 16.3 45 45 A R G < S+ 0 0 162 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.150 89.0 102.3-123.7 15.1 32.3 34.1 18.1 46 46 A R S < S+ 0 0 38 -3,-1.5 20,-2.6 -4,-0.2 21,-0.4 0.746 77.7 44.4 -75.4 -27.3 29.5 31.8 19.1 47 47 A F E - B 0 65A 30 -4,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.924 57.2-161.0-125.1 144.4 29.8 29.1 16.4 48 48 A I E - B 0 64A 26 16,-2.2 16,-2.9 -2,-0.4 2,-0.4 -0.886 18.5-137.7-112.4 155.9 32.6 27.1 14.7 49 49 A L E - B 0 63A 57 -2,-0.3 -47,-0.9 14,-0.2 2,-0.4 -0.937 15.8-171.2-114.5 134.1 32.2 25.4 11.3 50 50 A I E -aB 2 62A 0 12,-2.5 12,-2.7 -2,-0.4 2,-0.4 -0.978 12.2-145.2-124.6 138.9 33.6 21.9 10.5 51 51 A D E -aB 3 61A 18 -49,-2.6 -47,-2.6 -2,-0.4 2,-0.4 -0.868 10.5-169.1-104.1 135.5 33.6 20.3 7.0 52 52 A L E -aB 4 60A 0 8,-2.7 8,-2.2 -2,-0.4 2,-0.4 -0.996 6.3-167.0-125.2 124.4 33.1 16.5 6.6 53 53 A V E -aB 5 59A 9 -49,-2.4 -47,-2.3 -2,-0.4 6,-0.2 -0.951 9.1-143.8-121.4 126.6 33.9 15.0 3.1 54 54 A N > - 0 0 2 4,-2.4 3,-2.0 -2,-0.4 -47,-0.3 -0.105 38.4 -90.1 -80.2 179.3 32.8 11.5 2.0 55 55 A Y T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -49,-0.2 76,-0.0 0.841 127.5 56.8 -59.5 -34.4 34.8 9.1 -0.3 56 56 A D T 3 S- 0 0 134 2,-0.1 -1,-0.3 75,-0.1 3,-0.1 0.283 119.8-109.0 -83.3 12.9 33.0 10.6 -3.3 57 57 A G S < S+ 0 0 55 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.680 70.3 142.9 74.8 18.4 34.3 14.1 -2.4 58 58 A Q - 0 0 52 2,-0.0 -4,-2.4 0, 0.0 2,-0.4 -0.810 34.9-153.7 -96.4 131.3 30.9 15.5 -1.4 59 59 A S E -B 53 0A 29 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.842 18.1-174.4-112.7 139.9 31.0 17.9 1.6 60 60 A I E -B 52 0A 1 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.5 -0.923 17.6-143.4-118.3 155.8 28.7 18.9 4.4 61 61 A T E -BC 51 75A 24 14,-2.2 14,-2.4 -2,-0.3 2,-0.4 -0.984 11.0-158.3-119.3 123.1 29.5 21.7 6.9 62 62 A A E -BC 50 74A 0 -12,-2.7 -12,-2.5 -2,-0.5 2,-0.5 -0.845 9.0-142.7 -99.6 137.6 28.3 21.3 10.5 63 63 A A E -BC 49 73A 0 10,-2.8 9,-2.6 -2,-0.4 10,-1.0 -0.888 17.5-162.1 -99.7 128.0 27.9 24.4 12.8 64 64 A I E -BC 48 71A 0 -16,-2.9 -16,-2.2 -2,-0.5 2,-0.5 -0.932 19.4-129.3-117.1 130.2 28.9 23.8 16.5 65 65 A D E >>> -BC 47 70A 4 5,-2.7 4,-2.1 -2,-0.4 3,-1.0 -0.674 18.2-148.6 -72.4 117.5 27.9 26.0 19.5 66 66 A V T 345S+ 0 0 1 -20,-2.6 -28,-0.3 -2,-0.5 -1,-0.1 0.695 89.9 64.6 -67.8 -18.9 31.2 26.7 21.2 67 67 A L T 345S+ 0 0 23 -21,-0.4 173,-0.5 1,-0.1 -1,-0.2 0.787 126.1 5.7 -75.0 -25.9 29.6 26.8 24.7 68 68 A N T <45S- 0 0 30 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.1 0.405 92.9-115.4-140.3 4.9 28.5 23.2 24.7 69 69 A V T <5 + 0 0 0 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.607 62.6 153.4 61.9 17.1 29.9 21.5 21.5 70 70 A Y E < -C 65 0A 132 -5,-0.5 -5,-2.7 87,-0.1 2,-0.5 -0.570 48.2-127.9 -75.0 135.5 26.3 20.9 20.2 71 71 A I E +C 64 0A 9 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.714 30.7 176.3 -73.0 125.7 25.8 20.6 16.5 72 72 A V E - 0 0 5 -9,-2.6 11,-2.2 -2,-0.5 2,-0.3 0.634 58.9 -13.4-103.6 -22.7 23.0 23.2 15.8 73 73 A A E -CD 63 82A 2 -10,-1.0 -10,-2.8 9,-0.2 -1,-0.4 -0.978 54.4-147.3-168.3 162.1 22.7 22.9 12.0 74 74 A Y E -CD 62 81A 2 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.977 9.8-149.2-141.9 161.6 24.4 21.6 8.9 75 75 A S E -CD 61 80A 5 -14,-2.4 -14,-2.2 -2,-0.3 5,-0.2 -0.973 18.6-158.7-130.6 144.0 24.7 22.8 5.2 76 76 A T - 0 0 23 3,-2.7 -17,-0.2 -2,-0.4 4,-0.1 0.369 65.0 -98.4 -89.7 -1.6 25.0 21.0 1.9 77 77 A G S S+ 0 0 60 2,-0.3 3,-0.1 -16,-0.1 -17,-0.1 -0.050 120.3 38.8 103.7 -29.3 26.4 24.3 0.4 78 78 A T S S+ 0 0 103 1,-0.4 21,-2.2 20,-0.1 2,-0.4 0.620 119.6 34.8-121.1 -30.1 23.0 25.2 -1.0 79 79 A V E - e 0 99A 29 19,-0.2 -3,-2.7 21,-0.0 -1,-0.4 -0.990 66.8-160.5-131.5 136.5 20.4 24.1 1.6 80 80 A S E -De 75 100A 0 19,-2.7 21,-3.0 -2,-0.4 2,-0.4 -0.895 4.4-152.1-121.3 154.5 20.8 24.2 5.4 81 81 A Y E -De 74 101A 33 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.4 -0.992 8.8-164.6-131.0 122.8 19.0 22.3 8.2 82 82 A F E -De 73 102A 8 19,-2.4 21,-3.0 -2,-0.4 -9,-0.2 -0.892 20.6-122.5-109.4 134.4 18.6 23.6 11.7 83 83 A F > - 0 0 7 -11,-2.2 3,-0.9 -2,-0.4 23,-0.2 -0.328 38.7 -96.3 -61.6 155.3 17.5 21.5 14.8 84 84 A Q T 3 S+ 0 0 89 21,-2.4 23,-0.5 1,-0.2 -1,-0.1 -0.483 106.0 19.1 -63.9 146.7 14.4 22.6 16.7 85 85 A Q T 3 S+ 0 0 175 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.663 84.3 150.7 66.1 23.5 15.1 24.8 19.7 86 86 A V < - 0 0 34 -3,-0.9 -1,-0.2 1,-0.2 -14,-0.0 -0.313 64.9 -61.1 -73.6 166.4 18.7 25.9 18.8 87 87 A P > - 0 0 28 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 -0.263 53.4-123.6 -49.8 133.4 20.0 29.2 20.0 88 88 A A T 3 S+ 0 0 97 1,-0.3 4,-0.4 2,-0.1 -2,-0.1 0.750 107.2 55.4 -57.4 -30.0 17.7 31.9 18.5 89 89 A Q T 3> S+ 0 0 43 1,-0.2 4,-1.6 2,-0.1 -1,-0.3 0.551 82.6 91.6 -80.7 -7.8 20.6 33.8 16.8 90 90 A A H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.2 3,-0.3 0.917 83.4 48.3 -57.2 -51.9 21.8 30.7 14.9 91 91 A P H 4 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.883 112.9 48.9 -58.0 -39.0 19.7 31.2 11.6 92 92 A K H 4 S+ 0 0 137 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.843 119.3 38.0 -65.8 -34.4 20.7 34.8 11.3 93 93 A L H < S+ 0 0 58 -4,-1.6 2,-0.3 -3,-0.3 3,-0.3 0.713 108.7 66.7 -91.0 -24.6 24.4 34.1 11.8 94 94 A L S < S- 0 0 12 -4,-2.1 -14,-0.1 1,-0.2 -31,-0.0 -0.809 103.9 -6.7-114.4 141.4 24.9 30.8 9.9 95 95 A F S > S- 0 0 31 -2,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.873 72.7-171.5 52.6 45.6 24.8 29.7 6.3 96 96 A K T 3 + 0 0 166 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.502 69.5 31.8 -69.5 135.2 23.5 33.0 5.0 97 97 A G T 3 S+ 0 0 88 1,-0.5 -1,-0.2 -2,-0.2 2,-0.1 0.108 97.6 104.1 99.5 -21.9 22.5 32.7 1.3 98 98 A T S < S- 0 0 27 -3,-1.5 2,-0.7 1,-0.1 -1,-0.5 -0.453 86.2 -99.0 -80.2 163.5 21.4 29.0 1.6 99 99 A Q E -e 79 0A 117 -21,-2.2 -19,-2.7 -2,-0.1 2,-0.5 -0.794 45.3-143.7 -78.1 117.2 17.8 27.9 1.7 100 100 A Q E +e 80 0A 73 -2,-0.7 2,-0.3 -21,-0.2 -19,-0.2 -0.773 23.8 175.8 -95.6 123.1 17.2 27.4 5.5 101 101 A R E -e 81 0A 125 -21,-3.0 -19,-2.4 -2,-0.5 2,-0.4 -0.803 25.1-126.2-116.4 159.8 15.0 24.5 6.6 102 102 A T E -e 82 0A 100 -2,-0.3 -19,-0.2 -21,-0.2 -18,-0.1 -0.918 19.9-130.2-106.4 135.0 14.1 23.2 10.1 103 103 A L - 0 0 2 -21,-3.0 2,-0.4 -2,-0.4 -19,-0.2 -0.564 25.9-116.4 -75.3 146.4 14.6 19.5 11.1 104 104 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.072 90.3 38.0 -79.4 30.3 11.5 17.9 12.7 105 105 A Y S S- 0 0 14 -2,-0.4 -21,-2.4 10,-0.0 -2,-0.2 -0.975 83.0-101.2-162.8 164.2 13.2 17.3 16.1 106 106 A T - 0 0 24 -2,-0.3 -21,-0.1 -23,-0.2 -34,-0.0 -0.403 38.6-110.0 -81.1 172.2 15.7 18.7 18.6 107 107 A G S S+ 0 0 29 -23,-0.5 -36,-0.1 -2,-0.1 2,-0.1 0.351 79.0 115.3 -87.3 5.4 19.3 17.5 18.7 108 108 A N S > S- 0 0 77 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.441 75.9-117.9 -76.0 154.4 18.9 15.8 22.1 109 109 A Y H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.849 110.5 56.9 -62.4 -36.9 19.4 12.0 22.1 110 110 A E H > S+ 0 0 148 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.954 113.4 40.2 -57.9 -48.0 15.8 11.2 23.3 111 111 A N H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.865 115.6 50.2 -72.9 -39.0 14.3 13.1 20.4 112 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.901 110.2 50.5 -64.7 -41.7 16.9 11.8 17.8 113 113 A Q H X>S+ 0 0 35 -4,-2.7 5,-1.6 -5,-0.2 4,-1.2 0.916 110.1 50.6 -62.7 -42.0 16.3 8.2 18.9 114 114 A T H <5S+ 0 0 105 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.932 112.8 46.3 -57.9 -45.3 12.5 8.7 18.6 115 115 A A H <5S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.4 45.5 -67.7 -36.3 13.0 10.1 15.1 116 116 A A H <5S- 0 0 17 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.612 102.4-134.5 -77.6 -16.7 15.4 7.3 14.1 117 117 A K T <5S+ 0 0 172 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.847 75.5 75.6 57.7 37.9 13.1 4.6 15.6 118 118 A K S - 0 0 76 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.516 33.5-113.9 -83.8 154.2 18.7 3.3 20.0 120 120 A R G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.881 120.0 59.3 -49.8 -41.2 22.3 4.7 19.8 121 121 A E G 3 S+ 0 0 52 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.631 101.2 55.3 -69.3 -11.1 23.5 1.1 20.6 122 122 A N G < S+ 0 0 71 -3,-2.1 2,-0.5 56,-0.1 -1,-0.3 0.393 95.1 82.9 -92.5 -3.3 21.6 -0.1 17.4 123 123 A I S < S- 0 0 7 -3,-1.8 2,-0.1 -4,-0.3 54,-0.1 -0.915 78.9-123.6-116.6 124.2 23.4 2.3 15.1 124 124 A E - 0 0 81 -2,-0.5 54,-0.2 54,-0.2 2,-0.2 -0.390 25.4-172.0 -67.6 139.1 26.9 1.6 13.6 125 125 A L B +H 177 0D 1 52,-3.5 52,-2.0 -2,-0.1 2,-0.1 -0.588 33.9 96.9-114.3-177.9 29.8 3.9 14.1 126 126 A G S >> S- 0 0 0 50,-0.2 4,-1.8 -2,-0.2 3,-0.5 -0.338 87.8 -72.4 109.7 162.3 33.3 3.9 12.5 127 127 A L H 3> S+ 0 0 1 45,-2.7 4,-2.3 42,-0.5 46,-0.2 0.866 130.9 55.7 -65.5 -34.2 34.6 5.8 9.6 128 128 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.870 108.1 51.0 -62.3 -32.6 32.7 3.8 7.0 129 129 A A H <> S+ 0 0 7 -3,-0.5 4,-2.2 46,-0.3 -2,-0.2 0.852 107.1 53.1 -67.9 -37.0 29.5 4.7 8.9 130 130 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.913 106.2 53.8 -62.3 -43.0 30.6 8.4 8.8 131 131 A D H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.945 111.3 44.9 -54.1 -49.8 30.9 8.1 5.0 132 132 A S H X S+ 0 0 64 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.871 111.9 52.6 -64.7 -38.0 27.3 6.8 4.8 133 133 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.1 50.2 -65.1 -43.7 26.0 9.4 7.2 134 134 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.939 111.7 48.9 -59.2 -46.8 27.6 12.3 5.1 135 135 A T H X S+ 0 0 46 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.926 110.7 50.4 -60.0 -44.3 26.0 10.8 1.9 136 136 A T H < S+ 0 0 44 -4,-2.4 5,-0.4 1,-0.2 -1,-0.2 0.892 115.1 42.9 -60.8 -41.9 22.6 10.6 3.7 137 137 A L H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.838 111.3 53.5 -76.6 -33.8 22.7 14.2 4.9 138 138 A F H 3< S+ 0 0 62 -4,-2.7 2,-0.6 1,-0.3 -2,-0.2 0.888 117.9 38.2 -64.5 -40.3 24.1 15.6 1.6 139 139 A H T 3< S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.594 104.4-148.1-105.0 63.0 21.1 13.9 -0.2 140 140 A Y < + 0 0 59 -3,-0.8 2,-0.4 -2,-0.6 -3,-0.2 -0.041 24.4 176.1 -49.4 122.9 18.7 14.7 2.6 141 141 A N >> - 0 0 84 -5,-0.4 4,-1.5 1,-0.1 3,-0.6 -1.000 26.5-142.3-126.0 126.4 15.9 12.2 3.2 142 142 A A T 34 S+ 0 0 48 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.839 97.7 50.4 -62.5 -36.1 13.7 12.9 6.2 143 143 A E T 34 S+ 0 0 144 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.795 118.0 37.2 -72.4 -30.0 13.3 9.2 7.2 144 144 A A T <> S+ 0 0 44 -3,-0.6 4,-1.4 1,-0.1 -1,-0.2 0.576 95.8 82.8 -97.6 -13.7 17.0 8.4 7.2 145 145 A A H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 5,-0.2 0.829 80.4 60.3 -70.3 -36.2 18.5 11.7 8.6 146 146 A A H > S+ 0 0 2 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.924 107.2 46.6 -61.0 -43.5 18.1 11.2 12.3 147 147 A S H > S+ 0 0 36 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 112.8 50.6 -62.6 -41.9 20.3 8.0 12.4 148 148 A A H X S+ 0 0 6 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.890 109.1 51.3 -62.6 -40.2 22.9 9.8 10.2 149 149 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.879 105.8 55.2 -65.9 -37.1 22.9 12.8 12.6 150 150 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.905 110.2 46.5 -60.4 -40.8 23.4 10.4 15.6 151 151 A V H X S+ 0 0 7 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.952 113.9 48.0 -62.1 -49.2 26.5 9.1 13.7 152 152 A L H X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 5,-0.3 0.918 111.8 48.8 -59.6 -46.8 27.7 12.6 13.0 153 153 A I H ><>S+ 0 0 13 -4,-3.0 5,-2.0 1,-0.2 3,-0.6 0.913 113.6 45.3 -62.0 -45.4 27.2 13.9 16.6 154 154 A Q H 3<>S+ 0 0 0 -4,-1.9 5,-0.9 -5,-0.2 -1,-0.2 0.855 112.6 51.9 -69.4 -30.5 29.0 11.0 18.2 155 155 A T H 3<5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.612 127.8 18.4 -80.3 -15.0 31.9 11.2 15.7 156 156 A T T 5S+ 0 0 2 -4,-0.3 4,-1.8 -5,-0.3 -3,-0.2 0.901 125.5 41.4 -52.0 -53.7 31.0 16.3 19.5 158 158 A E H > S+ 0 0 85 71,-2.8 4,-2.7 -2,-0.4 5,-0.2 0.862 98.3 61.1 -54.9 -38.1 39.4 10.5 24.5 164 164 A Y H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 107.9 42.6 -58.2 -43.2 37.9 7.0 24.9 165 165 A I H > S+ 0 0 0 -3,-0.4 4,-2.1 -7,-0.3 5,-0.2 0.929 111.6 54.4 -70.6 -45.5 35.3 7.7 22.2 166 166 A E H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.5 -2,-0.2 0.925 111.0 46.8 -48.7 -50.1 37.9 9.3 19.9 167 167 A L H X S+ 0 0 58 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.883 106.9 55.4 -68.9 -37.5 40.0 6.2 20.1 168 168 A Q H < S+ 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.919 114.0 42.0 -59.1 -42.1 37.2 3.7 19.5 169 169 A I H >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.2 -42,-0.5 0.925 110.9 55.0 -71.5 -43.1 36.4 5.5 16.3 170 170 A A H 3< S+ 0 0 1 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.797 104.1 57.3 -58.2 -29.0 40.0 5.9 15.3 171 171 A N T 3< S+ 0 0 100 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.393 100.9 60.5 -82.0 1.5 40.4 2.1 15.7 172 172 A N < + 0 0 23 -3,-2.3 -45,-2.7 1,-0.1 -1,-0.2 -0.491 56.7 137.1-129.0 60.5 37.6 1.6 13.1 173 173 A V S S+ 0 0 46 -3,-0.4 -1,-0.1 -47,-0.2 -2,-0.1 0.907 89.7 15.4 -70.8 -43.5 38.9 3.2 9.9 174 174 A G S S+ 0 0 65 -3,-0.1 2,-0.3 -47,-0.1 -1,-0.2 0.331 124.3 62.5-113.6 5.1 37.8 0.4 7.6 175 175 A T - 0 0 78 2,-0.0 2,-0.3 0, 0.0 -46,-0.3 -0.803 68.4-133.1-128.4 165.7 35.3 -1.4 9.9 176 176 A K + 0 0 101 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.867 20.7 175.9-120.6 155.7 32.1 -0.6 11.8 177 177 A F B -H 125 0D 37 -52,-2.0 -52,-3.5 -2,-0.3 -48,-0.0 -0.985 29.8-120.4-153.0 154.0 31.0 -1.2 15.3 178 178 A K - 0 0 123 -2,-0.3 -54,-0.2 -54,-0.2 -57,-0.1 -0.843 45.1-102.6 -97.7 136.2 28.0 -0.5 17.6 179 179 A P - 0 0 4 0, 0.0 -56,-0.1 0, 0.0 -1,-0.0 -0.320 33.7-129.2 -66.6 138.6 28.8 1.6 20.6 180 180 A S > - 0 0 49 1,-0.1 4,-2.2 -2,-0.0 3,-0.2 -0.252 27.5-103.4 -72.5 166.8 29.1 -0.2 24.0 181 181 A Q H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 33,-0.3 0.745 121.9 65.7 -64.6 -21.0 27.3 0.9 27.2 182 182 A T H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 32,-0.2 0.963 105.5 41.8 -60.0 -51.8 30.7 2.3 28.2 183 183 A I H > S+ 0 0 3 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.938 115.0 50.6 -59.1 -47.8 30.5 4.8 25.4 184 184 A I H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.902 107.6 54.0 -59.9 -41.3 26.8 5.5 26.1 185 185 A S H X S+ 0 0 10 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.878 108.7 48.5 -62.7 -38.8 27.5 6.1 29.8 186 186 A L H < S+ 0 0 5 -4,-1.7 3,-0.4 2,-0.2 4,-0.4 0.953 112.5 48.2 -65.3 -49.2 30.2 8.7 29.0 187 187 A E H >< S+ 0 0 11 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.931 112.5 48.9 -55.7 -47.7 27.8 10.5 26.6 188 188 A N H 3< S+ 0 0 92 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.783 116.4 42.7 -65.2 -27.0 25.0 10.5 29.1 189 189 A N T 3X S+ 0 0 40 -4,-1.3 4,-2.9 -3,-0.4 5,-0.3 0.188 76.2 108.3-110.4 16.3 27.1 11.8 32.0 190 190 A W H <> S+ 0 0 12 -3,-1.1 4,-2.4 -4,-0.4 49,-0.3 0.940 86.7 42.5 -59.0 -49.2 29.2 14.6 30.3 191 191 A S H > S+ 0 0 47 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.924 115.5 49.7 -64.7 -42.3 27.3 17.4 32.1 192 192 A A H > S+ 0 0 36 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 112.8 46.2 -63.1 -45.6 27.3 15.5 35.4 193 193 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.922 111.9 52.2 -61.7 -44.4 31.1 14.8 35.2 194 194 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.927 111.6 46.7 -56.4 -47.8 31.7 18.4 34.2 195 195 A K H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.943 114.2 46.0 -58.0 -51.9 29.7 19.7 37.2 196 196 A Q H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.860 109.6 53.0 -67.6 -36.3 31.3 17.4 39.8 197 197 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.915 112.0 46.3 -65.7 -40.4 34.9 18.0 38.6 198 198 A Q H < S+ 0 0 25 -4,-1.8 4,-0.4 -5,-0.3 3,-0.3 0.877 113.9 48.0 -69.6 -37.0 34.4 21.8 38.9 199 199 A I H >< S+ 0 0 36 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.915 104.9 61.2 -63.7 -41.9 32.8 21.4 42.4 200 200 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.3 3,-2.4 0.773 86.5 73.9 -59.5 -29.6 35.7 19.1 43.4 201 201 A K T 3<5S+ 0 0 126 -4,-1.0 3,-0.4 1,-0.3 -1,-0.3 0.803 103.7 40.1 -53.2 -33.3 38.2 22.0 42.9 202 202 A N T < 5S+ 0 0 143 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.116 113.6 56.7-102.5 19.9 36.8 23.5 46.1 203 203 A K T X 5S- 0 0 88 -3,-2.4 3,-1.6 3,-0.0 -1,-0.2 -0.065 118.3 -94.8-140.8 34.4 36.5 20.2 48.0 204 204 A N T 3 5S- 0 0 157 -3,-0.4 -3,-0.2 1,-0.3 3,-0.1 0.815 87.7 -50.7 54.4 35.9 40.1 18.7 47.8 205 205 A G T 3 - 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