==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 06-NOV-03 1RDW . COMPND 2 MOLECULE: ACTIN, ALPHA SKELETAL MUSCLE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR R.REUTZEL,C.YOSHIOKA,L.GOVINDASAMY,E.G.YARMOLA,M.AGBANDJE- . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.1 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 0 1 0 2 3 1 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 0 4 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 5 X T 0 0 163 0, 0.0 2,-0.4 0, 0.0 87,-0.1 0.000 360.0 360.0 360.0 -25.2 92.8 64.2 1.4 2 6 X T - 0 0 63 85,-0.1 2,-0.2 1,-0.0 333,-0.1 -0.732 360.0-125.1 -75.2 137.7 91.1 63.4 4.8 3 7 X A - 0 0 7 -2,-0.4 15,-2.3 85,-0.1 2,-0.3 -0.496 15.6-134.3 -80.3 149.3 90.1 66.5 6.5 4 8 X L E -Ab 17 90A 1 85,-2.9 87,-3.4 13,-0.2 2,-0.5 -0.820 11.7-154.3-100.8 143.1 91.3 67.3 10.1 5 9 X V E -Ab 16 91A 1 11,-2.4 11,-1.6 -2,-0.3 2,-0.5 -0.980 13.0-177.9-118.2 125.4 88.8 68.6 12.7 6 10 X C E -Ab 15 92A 3 85,-3.1 87,-1.2 -2,-0.5 2,-0.7 -0.951 8.6-170.4-128.3 118.8 90.2 70.6 15.5 7 11 X D E -A 14 0A 10 7,-3.3 7,-1.9 -2,-0.5 2,-0.9 -0.895 11.0-157.2-109.5 107.4 88.1 71.9 18.3 8 12 X N E +A 13 0A 6 -2,-0.7 5,-0.2 85,-0.3 2,-0.2 -0.721 17.5 177.4 -89.9 107.5 90.0 74.4 20.5 9 13 X G - 0 0 12 3,-1.5 49,-0.1 -2,-0.9 -2,-0.0 -0.594 43.4-112.8-104.5 167.2 88.5 74.7 24.0 10 14 X S S S+ 0 0 9 -2,-0.2 48,-0.3 1,-0.1 3,-0.1 0.862 117.9 18.8 -54.7 -38.8 89.5 76.7 27.1 11 15 X G S S+ 0 0 13 1,-0.3 18,-4.0 17,-0.1 2,-0.3 0.884 129.2 26.3-102.8 -51.0 90.3 73.3 28.9 12 16 X L E - C 0 28A 77 16,-0.3 -3,-1.5 17,-0.1 2,-0.5 -0.889 56.7-144.1-124.6 140.6 90.7 70.6 26.2 13 17 X V E -AC 8 27A 1 14,-3.2 14,-2.1 -2,-0.3 2,-0.5 -0.879 17.2-166.2 -94.8 133.4 91.7 70.3 22.6 14 18 X K E +AC 7 26A 30 -7,-1.9 -7,-3.3 -2,-0.5 2,-0.3 -0.998 19.6 164.3-117.1 121.5 89.7 67.7 20.8 15 19 X A E +AC 6 25A 0 10,-2.6 10,-2.1 -2,-0.5 9,-0.7 -0.960 8.1 112.8-138.2 153.7 91.3 66.8 17.4 16 20 X G E -A 5 0A 0 -11,-1.6 -11,-2.4 -2,-0.3 2,-0.4 -0.967 56.8 -48.3 172.5-157.0 91.0 64.0 14.8 17 21 X F E > -A 4 0A 30 5,-0.3 3,-1.9 -2,-0.3 -13,-0.2 -0.865 47.4-111.5-118.4 139.8 89.9 63.0 11.4 18 22 X A T 3 S+ 0 0 13 -15,-2.3 314,-0.1 -2,-0.4 313,-0.1 -0.295 105.4 42.3 -61.7 144.0 86.7 63.7 9.6 19 23 X G T 3 S+ 0 0 58 1,-0.5 -1,-0.2 312,-0.4 2,-0.1 -0.046 92.0 105.6 99.6 -36.0 84.7 60.5 9.2 20 24 X D < - 0 0 46 -3,-1.9 -1,-0.5 1,-0.1 311,-0.0 -0.402 67.5-140.8 -71.1 157.9 85.5 59.3 12.7 21 25 X D S S+ 0 0 134 1,-0.1 307,-0.1 -3,-0.1 -1,-0.1 0.297 83.8 35.3-101.2 8.4 82.9 59.4 15.4 22 26 X A S S- 0 0 41 -5,-0.2 -5,-0.3 305,-0.1 -1,-0.1 -0.975 89.5 -98.4-156.2 146.8 85.3 60.5 18.1 23 27 X P - 0 0 14 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 -0.477 23.4-150.6 -62.3 131.4 88.4 62.7 18.4 24 28 X R S S+ 0 0 160 -9,-0.7 2,-0.5 1,-0.2 -8,-0.2 0.768 85.3 39.7 -66.5 -34.6 91.6 60.6 18.3 25 29 X A E +C 15 0A 5 -10,-2.1 -10,-2.6 2,-0.0 2,-0.4 -0.974 59.3 168.9-125.7 122.5 93.4 63.2 20.6 26 30 X V E +C 14 0A 49 -2,-0.5 -12,-0.2 -12,-0.2 -14,-0.0 -0.997 23.8 151.1-121.6 123.5 91.9 64.9 23.6 27 31 X F E -C 13 0A 1 -14,-2.1 -14,-3.2 -2,-0.4 15,-0.1 -0.991 48.3 -74.5-157.5 156.1 94.5 66.8 25.7 28 32 X P E -C 12 0A 28 0, 0.0 2,-2.3 0, 0.0 14,-0.4 -0.186 36.3-128.7 -61.5 138.3 94.8 69.8 28.0 29 33 X S + 0 0 0 -18,-4.0 29,-0.4 12,-0.1 2,-0.3 -0.430 66.3 118.1 -86.9 74.7 94.9 73.0 26.4 30 34 X I - 0 0 11 -2,-2.3 12,-2.1 26,-0.2 2,-0.4 -0.985 48.5-154.5-144.2 147.1 98.1 74.3 28.1 31 35 X V E -FG 41 55B 1 24,-2.4 24,-3.0 -2,-0.3 2,-0.4 -0.963 16.7-160.3-119.4 138.6 101.5 75.4 27.4 32 36 X G E -FG 40 54B 0 8,-2.8 8,-3.0 -2,-0.4 22,-0.2 -0.963 8.1-176.2-124.3 141.0 104.3 75.1 30.0 33 37 X R E - G 0 53B 76 20,-2.2 20,-2.6 -2,-0.4 6,-0.2 -0.968 43.6 -79.5-134.6 145.3 107.6 76.9 30.2 34 38 X P E - G 0 52B 54 0, 0.0 18,-0.3 0, 0.0 17,-0.0 -0.149 45.2-114.9 -52.9 135.1 110.5 76.5 32.7 35 39 X R 0 0 144 16,-2.5 17,-0.1 1,-0.1 16,-0.0 0.755 360.0 360.0 -51.1 -33.5 109.8 78.2 36.0 36 40 X H 0 0 232 17,-0.0 -1,-0.1 0, 0.0 17,-0.0 -0.866 360.0 360.0-105.6 360.0 112.7 80.7 35.5 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 51 X D 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.8 112.0 75.4 25.8 39 52 X S - 0 0 38 -6,-0.2 2,-0.4 13,-0.0 -6,-0.2 -0.993 360.0-155.5-144.8 151.2 108.2 74.7 25.9 40 53 X Y E -F 32 0B 59 -8,-3.0 -8,-2.8 -2,-0.3 2,-0.3 -0.983 9.9-153.7-128.0 145.6 105.9 71.9 26.6 41 54 X V E > -F 31 0B 8 -2,-0.4 3,-0.8 -10,-0.2 2,-0.5 -0.879 45.3 -32.7-123.7 148.3 102.3 71.2 25.5 42 55 X G T 3> S+ 0 0 0 -12,-2.1 4,-1.2 -14,-0.4 -2,-0.0 -0.314 128.4 4.1 64.0-116.1 99.3 69.2 26.7 43 56 X D H 3> S+ 0 0 75 -2,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.880 130.9 59.5-107.5 -39.8 100.1 66.2 28.4 44 57 X E H <> S+ 0 0 82 -3,-0.8 4,-1.8 2,-0.2 -1,-0.3 0.852 105.0 49.6 -4.5 -73.9 103.8 66.9 28.3 45 58 X A H 4 S+ 0 0 0 -4,-0.3 -2,-0.2 -15,-0.2 -1,-0.2 0.860 110.4 53.2 -62.8 -33.2 103.4 70.0 30.2 46 59 X Q H >< S+ 0 0 103 -4,-1.2 3,-2.1 2,-0.2 4,-0.3 0.940 102.9 53.3 -71.8 -49.1 101.4 68.1 32.7 47 60 X S H 3< S+ 0 0 93 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.893 120.4 36.4 -58.4 -32.6 104.0 65.3 33.4 48 61 X K T >< S+ 0 0 90 -4,-1.8 3,-1.3 1,-0.2 4,-0.4 0.068 74.0 124.3-103.2 29.8 106.5 68.0 34.1 49 62 X R G X + 0 0 94 -3,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.807 62.9 78.7 -60.3 -25.8 104.2 70.6 35.8 50 63 X G G 3 S+ 0 0 52 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.834 105.7 24.5 -42.4 -51.8 106.7 70.4 38.7 51 64 X I G < S+ 0 0 114 -3,-1.3 -16,-2.5 2,-0.0 2,-0.3 0.199 114.4 78.2-109.2 16.7 109.3 72.6 37.1 52 65 X L E < -G 34 0B 5 -3,-1.3 2,-0.5 -4,-0.4 -20,-0.0 -0.825 69.8-128.2-117.4 156.1 107.0 74.7 34.7 53 66 X T E -G 33 0B 78 -20,-2.6 -20,-2.2 -2,-0.3 2,-0.4 -0.942 33.5-142.1 -90.8 127.3 104.6 77.6 34.8 54 67 X L E -G 32 0B 58 -2,-0.5 2,-0.4 -22,-0.2 -22,-0.2 -0.785 18.5-171.4 -86.2 130.8 101.4 76.4 33.1 55 68 X K E -G 31 0B 111 -24,-3.0 -24,-2.4 -2,-0.4 -2,-0.0 -0.969 17.7-143.9-123.4 142.5 99.6 78.9 30.9 56 69 X Y - 0 0 70 -2,-0.4 -26,-0.2 -26,-0.2 8,-0.1 -0.897 8.8-164.5 -95.6 112.2 96.1 78.5 29.3 57 70 X P S S+ 0 0 1 0, 0.0 7,-2.7 0, 0.0 8,-1.5 0.725 73.9 60.2 -74.7 -10.1 96.2 80.2 25.9 58 71 X I E -H 63 0C 2 -29,-0.4 2,-0.4 -48,-0.3 5,-0.2 -0.969 66.3-171.5-116.4 125.4 92.4 80.3 25.5 59 72 X E E > S-H 62 0C 105 3,-2.3 3,-2.2 -2,-0.5 87,-0.0 -0.971 72.9 -14.2-118.5 128.2 90.2 82.2 28.1 60 73 X H T 3 S- 0 0 64 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.900 130.9 -53.2 47.9 44.3 86.4 81.9 28.2 61 74 X G T 3 S+ 0 0 10 1,-0.2 34,-0.5 -3,-0.1 2,-0.4 0.252 115.5 110.3 79.7 -5.7 86.6 80.4 24.7 62 75 X I E < S-H 59 0C 33 -3,-2.2 -3,-2.3 32,-0.1 2,-0.4 -0.818 71.0-120.2-106.1 135.8 88.7 83.1 23.1 63 76 X I E +H 58 0C 12 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.579 39.9 162.2 -72.5 119.7 92.3 82.8 21.9 64 77 X T + 0 0 72 -7,-2.7 2,-0.6 -2,-0.4 -1,-0.2 0.576 62.4 52.2-116.6 -17.9 94.4 85.4 23.9 65 78 X N > - 0 0 46 -8,-1.5 4,-1.8 1,-0.2 -1,-0.2 -0.875 59.1-178.4-122.7 106.3 98.0 84.2 23.5 66 79 X W H > S+ 0 0 44 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.834 78.4 56.1 -70.9 -36.1 98.8 83.6 19.9 67 80 X D H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.927 112.7 42.8 -64.9 -45.4 102.4 82.4 20.4 68 81 X D H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 108.9 58.0 -62.0 -36.5 101.3 79.6 22.7 69 82 X M H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.879 102.2 55.4 -64.6 -38.2 98.3 78.8 20.5 70 83 X E H X S+ 0 0 67 -4,-2.1 4,-3.7 1,-0.2 -1,-0.3 0.883 107.5 50.1 -59.9 -37.9 100.7 78.1 17.6 71 84 X K H X S+ 0 0 66 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.901 108.2 51.4 -66.8 -41.9 102.5 75.6 19.8 72 85 X I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 115.0 44.3 -58.0 -39.9 99.2 73.9 20.7 73 86 X W H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.949 111.9 51.0 -71.8 -43.7 98.5 73.7 16.9 74 87 X H H X>S+ 0 0 97 -4,-3.7 4,-2.4 1,-0.2 5,-0.5 0.939 113.6 46.7 -53.6 -43.8 102.1 72.5 16.1 75 88 X H H X>S+ 0 0 7 -4,-2.7 5,-2.6 1,-0.2 4,-1.6 0.890 109.5 54.7 -67.8 -38.2 101.7 69.8 18.8 76 89 X T H <>S+ 0 0 1 -4,-2.2 5,-2.7 -5,-0.2 6,-0.3 0.952 116.1 36.0 -60.7 -49.5 98.3 68.8 17.5 77 90 X F H <5S+ 0 0 2 -4,-2.6 6,-3.0 3,-0.2 -2,-0.2 0.913 127.9 29.2 -70.6 -42.5 99.5 68.2 14.0 78 91 X Y H <5S+ 0 0 91 -4,-2.4 -3,-0.2 4,-0.2 -2,-0.1 0.808 131.4 25.5-102.2 -29.3 102.9 66.8 14.4 79 92 X N T < - 0 0 26 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.893 24.3-150.5 -94.7 115.6 101.7 66.9 7.6 85 98 X P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.825 91.2 67.0 -61.0 -28.9 99.3 69.9 7.7 86 99 X E G 3 S+ 0 0 99 1,-0.3 29,-0.1 30,-0.2 28,-0.0 0.569 100.7 52.8 -63.1 -15.6 100.1 70.9 4.0 87 100 X E G < S+ 0 0 127 -3,-1.9 -1,-0.3 1,-0.1 -85,-0.1 0.367 103.5 64.5 -97.0 -1.5 98.4 67.7 3.0 88 101 X H S < S- 0 0 22 -3,-2.2 30,-0.3 -4,-0.1 -85,-0.1 -0.968 71.1-131.0-135.7 128.4 95.1 68.2 4.9 89 102 X P - 0 0 23 0, 0.0 -85,-2.9 0, 0.0 2,-0.5 -0.479 36.5-147.0 -59.2 136.0 92.2 70.6 4.8 90 103 X T E -bd 4 119A 0 28,-2.5 30,-1.5 -87,-0.2 2,-0.6 -0.955 13.6-156.9-117.5 124.7 91.6 71.7 8.3 91 104 X L E -bd 5 120A 0 -87,-3.4 -85,-3.1 -2,-0.5 2,-0.3 -0.852 17.8-172.3 -98.1 125.0 88.3 72.5 10.0 92 105 X L E -bd 6 121A 0 28,-3.3 30,-2.7 -2,-0.6 2,-0.3 -0.794 11.4-140.3-110.1 155.3 88.7 74.8 13.1 93 106 X T E - d 0 122A 2 -87,-1.2 2,-0.3 -2,-0.3 -85,-0.3 -0.757 15.9-171.3-110.0 159.4 86.0 75.8 15.6 94 107 X E E - d 0 123A 6 28,-2.0 30,-3.2 -2,-0.3 31,-0.3 -0.964 28.7 -96.7-143.5 160.5 85.5 79.2 17.3 95 108 X A > - 0 0 1 -34,-0.5 3,-1.3 -2,-0.3 2,-0.1 -0.403 49.8 -93.5 -64.7 147.5 83.3 80.6 20.1 96 109 X P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 53,-0.0 -0.437 116.8 20.6 -54.8 140.2 80.0 82.5 19.3 97 110 X L T 3 S+ 0 0 102 1,-0.2 -2,-0.1 -2,-0.1 3,-0.1 0.746 84.3 169.9 65.8 21.3 80.8 86.2 19.0 98 111 X N < - 0 0 12 -3,-1.3 -1,-0.2 1,-0.1 5,-0.1 -0.541 45.1-102.6 -60.2 131.6 84.5 85.4 18.3 99 112 X P >> - 0 0 62 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.278 21.5-123.7 -56.5 146.3 85.9 88.9 17.2 100 113 X K H 3> S+ 0 0 131 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.826 111.4 58.0 -58.7 -39.6 86.5 89.3 13.5 101 114 X A H 3> S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.819 105.0 50.9 -60.7 -37.5 90.1 90.2 14.1 102 115 X N H <> S+ 0 0 24 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.911 108.4 50.7 -68.8 -41.6 90.7 86.8 16.0 103 116 X R H X S+ 0 0 25 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.833 111.3 48.8 -64.3 -39.7 89.2 84.7 13.2 104 117 X E H X S+ 0 0 61 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.919 109.6 50.7 -64.4 -42.8 91.4 86.5 10.7 105 118 X K H X S+ 0 0 99 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.890 109.1 53.2 -61.5 -35.9 94.5 86.0 12.7 106 119 X M H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.941 110.2 47.4 -61.5 -44.2 93.6 82.3 13.0 107 120 X T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.927 110.0 52.3 -64.9 -47.9 93.3 82.0 9.2 108 121 X Q H X>S+ 0 0 77 -4,-2.7 4,-3.1 1,-0.2 5,-0.6 0.942 109.7 48.7 -55.9 -47.7 96.6 83.8 8.6 109 122 X I H X>S+ 0 0 11 -4,-2.7 4,-1.9 1,-0.2 5,-1.7 0.937 110.2 50.6 -61.4 -42.3 98.4 81.4 10.9 110 123 X M H <5S+ 0 0 0 -4,-2.6 6,-1.8 3,-0.2 4,-0.3 0.924 119.3 37.0 -58.7 -44.5 97.0 78.3 9.3 111 124 X F H <5S+ 0 0 0 -4,-2.4 4,-0.3 4,-0.2 -2,-0.2 0.911 126.7 32.1 -77.0 -44.2 97.9 79.5 5.8 112 125 X E H <5S+ 0 0 109 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.832 129.0 30.9 -94.1 -30.3 101.3 81.2 6.5 113 126 X T T <> -d 94 0A 30 -2,-0.3 4,-1.6 -30,-0.2 3,-0.8 -0.578 27.5-134.0 -73.9 129.1 81.0 78.1 15.3 124 137 X Q H 3> S+ 0 0 18 -30,-3.2 4,-1.8 -2,-0.4 3,-0.3 0.894 101.2 51.7 -49.7 -52.2 81.1 75.5 17.9 125 138 X A H 3> S+ 0 0 1 -31,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.839 105.9 56.4 -61.5 -31.8 77.4 75.6 18.8 126 139 X V H <> S+ 0 0 11 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.897 105.3 51.2 -64.7 -44.2 76.3 75.2 15.2 127 140 X L H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.853 108.8 51.5 -64.5 -34.9 78.3 72.0 14.8 128 141 X S H X S+ 0 0 2 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.878 107.5 51.6 -70.0 -34.1 76.7 70.6 17.9 129 142 X L H ><>S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.2 5,-0.9 0.964 110.9 49.7 -59.5 -48.2 73.2 71.3 16.6 130 143 X Y H ><5S+ 0 0 44 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.823 104.0 57.5 -63.1 -39.1 74.2 69.5 13.4 131 144 X A H 3<5S+ 0 0 22 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.667 103.3 54.9 -62.4 -24.6 75.5 66.5 15.2 132 145 X S T <<5S- 0 0 25 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.404 122.5-109.4 -83.9 1.2 72.0 66.2 16.8 133 146 X G T < 5S+ 0 0 67 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.843 79.9 105.9 74.8 38.8 70.5 66.1 13.2 134 147 X R < - 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0 0 22 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.118 24.1-122.1 -68.1 155.6 72.7 63.3 23.8 320 333 X P T 3 S+ 0 0 110 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.847 111.8 51.3 -66.1 -30.2 75.0 60.8 25.4 321 334 X E T > S+ 0 0 90 1,-0.2 3,-2.4 2,-0.1 4,-0.5 0.163 74.0 121.9 -91.0 21.5 78.0 61.9 23.4 322 335 X R T < + 0 0 29 -3,-1.5 -34,-2.7 1,-0.3 4,-0.3 0.664 60.2 68.3 -71.5 -14.6 77.5 65.7 24.2 323 336 X K T 3 S+ 0 0 107 -3,-0.4 -1,-0.3 1,-0.2 -34,-0.3 0.735 116.1 28.3 -66.2 -23.9 80.9 66.2 25.7 324 337 X Y S <> S+ 0 0 66 -3,-2.4 4,-3.0 -36,-0.1 3,-0.4 0.264 88.5 110.8-115.5 5.9 82.3 65.7 22.0 325 338 X S H > S+ 0 0 7 -4,-0.5 4,-2.2 1,-0.3 -194,-0.2 0.775 74.3 53.9 -60.0 -33.6 79.4 66.8 20.0 326 339 X V H > S+ 0 0 11 -4,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.929 113.1 44.7 -59.5 -47.1 81.0 70.0 18.7 327 340 X W H > S+ 0 0 0 -3,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.956 114.1 48.7 -66.5 -43.5 83.9 67.8 17.4 328 341 X I H X S+ 0 0 27 -4,-3.0 4,-2.7 1,-0.3 -1,-0.2 0.879 107.3 56.5 -65.2 -40.0 81.5 65.2 16.0 329 342 X G H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.3 0.907 109.5 45.7 -48.1 -50.5 79.5 68.0 14.3 330 343 X G H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.874 108.7 56.4 -72.4 -34.8 82.6 69.1 12.5 331 344 X S H X S+ 0 0 4 -4,-2.6 4,-0.5 2,-0.2 -312,-0.4 0.922 113.2 41.2 -53.1 -46.5 83.4 65.4 11.6 332 345 X I H >X S+ 0 0 75 -4,-2.7 3,-1.8 2,-0.2 4,-0.8 0.980 116.0 48.6 -64.4 -55.3 80.0 65.1 9.9 333 346 X L H >< S+ 0 0 10 -4,-3.0 3,-1.9 1,-0.3 6,-0.2 0.931 108.4 53.2 -54.7 -48.8 80.2 68.6 8.3 334 347 X A H 3< S+ 0 0 3 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.608 106.8 55.3 -62.1 -17.1 83.7 68.1 6.9 335 348 X S H << S+ 0 0 64 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.538 80.4 106.6 -92.0 -14.4 82.6 64.9 5.3 336 349 X L 4 S+ 0 0 99 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.895 104.1 55.9 -70.3 -30.7 80.4 66.5 -0.5 338 351 X T G >4 S+ 0 0 101 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.811 99.3 60.8 -66.7 -28.1 78.5 69.8 -0.6 339 352 X F G >> S+ 0 0 2 -6,-0.2 3,-2.5 1,-0.2 4,-0.7 0.761 86.9 78.9 -63.5 -22.3 80.9 71.2 2.1 340 353 X Q G << S+ 0 0 80 -3,-1.0 3,-0.5 -4,-0.7 -1,-0.2 0.813 90.0 50.5 -65.4 -27.3 83.8 70.6 -0.3 341 354 X Q G <4 S+ 0 0 174 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.348 103.7 62.1 -82.5 5.3 83.2 73.7 -2.3 342 355 X M T <4 S+ 0 0 49 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.576 72.2 111.4-115.8 -9.1 83.0 75.8 0.8 343 356 X W S < S- 0 0 13 -4,-0.7 2,-0.6 -3,-0.5 -223,-0.2 -0.341 75.6-118.5 -50.9 144.4 86.5 75.3 2.1 344 357 X I E -E 119 0A 6 -225,-2.7 -225,-2.1 4,-0.0 2,-0.1 -0.841 37.2-149.9 -84.8 119.6 88.6 78.4 2.0 345 358 X T E > -E 118 0A 51 -2,-0.6 4,-2.0 -227,-0.2 -227,-0.2 -0.450 23.0-113.9 -88.9 159.2 91.4 77.4 -0.4 346 359 X K H > S+ 0 0 74 -229,-1.9 4,-2.8 2,-0.2 5,-0.2 0.885 118.0 56.4 -56.9 -40.5 95.0 78.8 -0.4 347 360 X Q H > S+ 0 0 128 -230,-0.2 4,-2.7 2,-0.2 5,-0.2 0.975 107.2 48.2 -53.3 -58.1 94.3 80.4 -3.8 348 361 X E H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.4 0.875 113.9 47.5 -47.5 -42.8 91.3 82.3 -2.4 349 362 X Y H X S+ 0 0 11 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.910 109.8 52.5 -72.0 -36.2 93.3 83.4 0.6 350 363 X D H < S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.8 42.4 -58.8 -44.4 96.3 84.5 -1.7 351 364 X E H < S+ 0 0 154 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.865 132.9 17.8 -77.6 -29.0 94.0 86.6 -3.8 352 365 X A H < S- 0 0 59 -4,-1.9 3,-0.4 -5,-0.2 -3,-0.2 0.616 95.2-138.6-119.2 -16.9 91.9 88.2 -1.0 353 366 X G >< - 0 0 16 -4,-2.9 3,-2.0 -5,-0.4 -1,-0.2 -0.243 51.7 -36.2 76.4-170.7 93.8 87.7 2.2 354 367 X P G > S+ 0 0 32 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.656 121.8 73.1 -70.2 -22.9 92.5 86.8 5.7 355 368 X S G > S+ 0 0 65 -3,-0.4 3,-1.2 1,-0.3 4,-0.3 0.632 75.4 84.9 -73.1 0.5 89.3 88.6 5.6 356 369 X I G X S+ 0 0 35 -3,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.722 74.3 77.1 -56.2 -23.5 88.1 85.9 3.1 357 370 X V G < S+ 0 0 3 -3,-1.8 -1,-0.2 1,-0.3 -236,-0.2 0.727 79.9 64.1 -71.9 -26.8 87.2 83.9 6.2 358 371 X H G < S+ 0 0 40 -3,-1.2 2,-1.6 -4,-0.1 -1,-0.3 0.685 77.2 88.3 -72.9 -17.4 84.1 85.8 6.9 359 372 X R < + 0 0 196 -3,-1.3 -1,-0.1 -4,-0.3 -3,-0.0 -0.638 58.1 175.3 -79.2 87.5 82.3 84.6 3.6 360 373 X K - 0 0 46 -2,-1.6 -1,-0.2 1,-0.1 -2,-0.1 0.667 31.8-139.1 -70.1 -26.0 80.9 81.5 5.4 361 374 X C 0 0 59 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.528 360.0 360.0 84.4 -2.3 78.8 80.3 2.4 362 375 X F 0 0 84 -20,-0.1 -1,-0.3 -207,-0.0 -2,-0.1 -0.147 360.0 360.0 170.4 360.0 76.1 79.4 4.9