==== 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 TRANSFERASE 12-AUG-10 3OEF . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.LIVNAH,N.TZARUM . 334 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 12.6 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 . 2 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 . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 3 1 0 0 0 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 R 0 0 152 0, 0.0 3,-0.0 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 132.4 -41.9 12.4 -25.1 2 6 X P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.211 360.0 -97.1 -70.3 164.1 -41.2 9.1 -26.9 3 7 X T - 0 0 87 2,-0.0 15,-2.7 0, 0.0 2,-0.3 -0.774 44.1-153.5 -83.2 127.2 -43.4 6.1 -26.6 4 8 X F E -A 17 0A 28 -2,-0.5 2,-0.3 13,-0.3 11,-0.1 -0.682 8.9-162.3 -98.5 155.6 -42.1 3.7 -24.0 5 9 X Y E -A 16 0A 62 11,-2.4 11,-2.2 -2,-0.3 2,-0.3 -0.954 13.8-131.4-131.5 157.7 -42.5 -0.0 -23.7 6 10 X R E +A 15 0A 155 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.831 27.6 160.5-115.4 150.3 -41.9 -2.3 -20.7 7 11 X Q E -A 14 0A 64 7,-1.8 7,-3.7 -2,-0.3 2,-0.6 -0.970 40.4-109.8-164.1 141.2 -40.0 -5.6 -20.3 8 12 X E E +A 13 0A 144 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.725 47.1 160.6 -82.2 117.5 -38.6 -7.6 -17.5 9 13 X L E > -A 12 0A 16 3,-2.8 3,-2.0 -2,-0.6 -2,-0.1 -0.998 61.1 -2.8-137.7 146.0 -34.7 -7.6 -17.5 10 14 X N T 3 S- 0 0 47 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.871 130.4 -55.4 40.4 42.3 -32.1 -8.3 -14.9 11 15 X K T 3 S+ 0 0 185 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.574 122.3 75.3 76.0 15.3 -34.9 -8.8 -12.4 12 16 X T E < S-A 9 0A 64 -3,-2.0 -3,-2.8 -5,-0.1 2,-0.7 -0.922 88.7 -89.6-144.4 170.6 -36.7 -5.5 -12.7 13 17 X I E -A 8 0A 72 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.759 37.2-155.4 -87.5 118.6 -39.1 -3.8 -15.2 14 18 X W E -A 7 0A 1 -7,-3.7 -7,-1.8 -2,-0.7 2,-0.5 -0.833 6.7-167.5 -92.8 131.4 -37.1 -1.9 -17.8 15 19 X E E +A 6 0A 45 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.964 22.0 157.5-121.4 112.2 -39.1 0.9 -19.4 16 20 X V E -A 5 0A 2 -11,-2.2 -11,-2.4 -2,-0.5 -2,-0.0 -0.920 46.4 -82.9-137.7 156.7 -37.5 2.3 -22.5 17 21 X P E > -A 4 0A 3 0, 0.0 3,-2.2 0, 0.0 -13,-0.3 -0.335 44.3-114.8 -59.0 139.4 -38.3 4.2 -25.7 18 22 X E T 3 S+ 0 0 107 -15,-2.7 22,-0.1 1,-0.3 -14,-0.1 0.739 108.7 73.4 -46.7 -30.6 -39.6 2.0 -28.6 19 23 X R T 3 S+ 0 0 54 -16,-0.2 21,-2.8 20,-0.1 2,-0.6 0.820 81.5 79.2 -58.4 -29.4 -36.5 2.8 -30.7 20 24 X Y E < +B 39 0B 0 -3,-2.2 2,-0.3 19,-0.2 19,-0.2 -0.716 67.6 171.8 -89.4 120.8 -34.4 0.5 -28.5 21 25 X Q E +B 38 0B 67 17,-2.5 17,-2.2 -2,-0.6 -2,-0.0 -0.798 43.9 27.3-127.9 162.1 -34.9 -3.1 -29.4 22 26 X N E - 0 0 116 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.858 69.4-167.9 57.0 39.5 -33.6 -6.6 -28.7 23 27 X L E - 0 0 13 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.391 7.6-178.8 -59.0 132.9 -32.3 -5.8 -25.2 24 28 X S E -B 36 0B 65 12,-2.3 12,-2.8 -2,-0.1 -15,-0.1 -0.984 30.5-112.1-140.2 123.8 -30.0 -8.5 -23.9 25 29 X P E +B 35 0B 62 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.269 41.2 161.2 -59.8 135.8 -28.4 -8.5 -20.5 26 30 X V E - 0 0 80 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.467 60.4 -3.4-132.2 -11.5 -24.6 -8.2 -20.7 27 31 X G E -B 34 0B 33 7,-1.3 7,-2.1 142,-0.1 -1,-0.4 -0.976 46.8-162.2-173.6 159.2 -23.7 -7.1 -17.2 28 32 X S E +B 33 0B 101 -2,-0.3 5,-0.3 5,-0.3 2,-0.3 -0.970 13.4 176.1-147.3 153.4 -24.7 -6.1 -13.7 29 33 X G - 0 0 49 3,-2.8 3,-0.1 -2,-0.3 -2,-0.0 -0.832 50.4 -87.7-142.9-178.9 -23.0 -4.3 -10.9 30 34 X A S S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.803 128.3 31.8 -62.6 -26.9 -23.8 -3.0 -7.4 31 35 X Y S S- 0 0 80 1,-0.2 21,-3.1 20,-0.1 2,-0.3 0.529 127.2 -6.5-112.3 -8.8 -24.9 0.3 -9.0 32 36 X G E - C 0 51B 7 19,-0.3 -3,-2.8 -3,-0.1 2,-0.3 -0.989 50.6-130.9-176.3 165.7 -26.4 -0.7 -12.4 33 37 X S E -BC 28 50B 14 17,-1.8 17,-2.4 -2,-0.3 2,-0.4 -0.977 21.2-146.9-135.4 149.3 -27.1 -3.3 -15.1 34 38 X V E -BC 27 49B 13 -7,-2.1 -8,-2.8 -2,-0.3 -7,-1.3 -0.926 8.9-168.7-121.6 138.4 -26.5 -3.1 -18.8 35 39 X C E -BC 25 48B 0 13,-2.5 13,-3.1 -2,-0.4 2,-0.2 -0.983 22.7-130.4-117.8 142.5 -28.2 -4.6 -21.8 36 40 X A E +BC 24 47B 23 -12,-2.8 -12,-2.3 -2,-0.4 2,-0.3 -0.615 41.8 165.8 -76.6 148.5 -26.9 -4.6 -25.3 37 41 X A E - C 0 46B 8 9,-2.7 9,-2.2 -2,-0.2 2,-0.5 -0.922 36.7-116.3-153.9 176.4 -29.6 -3.3 -27.7 38 42 X F E -BC 21 45B 73 -17,-2.2 -17,-2.5 -2,-0.3 2,-1.0 -0.992 20.3-141.6-126.4 125.6 -30.1 -2.0 -31.2 39 43 X D E >>> -BC 20 44B 2 5,-3.2 4,-2.7 -2,-0.5 3,-1.3 -0.761 12.4-169.7 -91.9 102.0 -31.2 1.6 -31.7 40 44 X T T 345S+ 0 0 79 -21,-2.8 -1,-0.2 -2,-1.0 -20,-0.1 0.613 82.9 61.6 -68.7 -12.0 -33.6 1.4 -34.6 41 45 X K T 345S+ 0 0 152 -22,-0.2 -1,-0.3 3,-0.1 -21,-0.1 0.754 120.5 18.6 -87.3 -24.4 -33.6 5.1 -34.8 42 46 X T T <45S- 0 0 73 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.512 97.8-121.1-120.5 -11.1 -29.9 5.5 -35.6 43 47 X G T <5 + 0 0 46 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.575 69.5 132.4 79.2 8.9 -29.0 2.1 -36.8 44 48 X L E < -C 39 0B 59 -5,-0.7 -5,-3.2 -6,-0.0 2,-0.4 -0.716 61.5-124.9 -95.4 144.2 -26.4 1.8 -34.1 45 49 X R E -C 38 0B 185 -2,-0.3 59,-2.1 -7,-0.2 2,-0.3 -0.713 44.1-176.7 -75.4 132.6 -25.7 -1.0 -31.6 46 50 X V E -CD 37 103B 0 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.5 -0.901 30.9-127.7-131.8 160.2 -25.9 0.5 -28.2 47 51 X A E -CD 36 102B 8 55,-3.0 55,-2.2 -2,-0.3 2,-0.6 -0.944 22.0-160.4-101.0 128.6 -25.5 -0.3 -24.5 48 52 X V E -CD 35 101B 0 -13,-3.1 -13,-2.5 -2,-0.5 2,-0.6 -0.953 6.3-165.8-111.1 119.2 -28.4 0.7 -22.3 49 53 X K E -CD 34 100B 15 51,-3.0 51,-2.6 -2,-0.6 2,-0.7 -0.903 5.9-162.9-107.4 120.8 -27.5 1.0 -18.6 50 54 X K E -CD 33 99B 19 -17,-2.4 -17,-1.8 -2,-0.6 49,-0.2 -0.909 23.3-130.8 -96.6 117.0 -30.3 1.2 -16.1 51 55 X L E -C 32 0B 4 47,-2.4 2,-0.7 -2,-0.7 -19,-0.3 -0.353 18.2-124.2 -62.6 144.8 -29.0 2.5 -12.8 52 56 X S S S- 0 0 38 -21,-3.1 4,-0.2 1,-0.2 -1,-0.1 -0.836 80.6 -29.4 -95.2 113.4 -29.9 0.5 -9.8 53 57 X R S > S- 0 0 163 -2,-0.7 3,-1.9 1,-0.1 -1,-0.2 0.946 76.0-170.2 45.4 61.8 -31.7 2.6 -7.2 54 58 X P T 3 S+ 0 0 3 0, 0.0 10,-0.4 0, 0.0 3,-0.2 0.683 79.8 39.1 -59.0 -21.4 -29.8 5.7 -8.3 55 59 X F T 3 S+ 0 0 21 41,-0.3 -2,-0.1 1,-0.1 267,-0.1 -0.057 75.1 121.8-120.6 31.6 -31.0 7.8 -5.4 56 60 X Q S < S- 0 0 104 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.1 0.823 85.2 -6.5 -63.9 -31.8 -30.8 5.2 -2.6 57 61 X S S > S- 0 0 35 -4,-0.2 4,-2.5 -3,-0.2 5,-0.2 -0.908 81.5 -90.1-153.3 171.0 -28.4 7.3 -0.5 58 62 X I H > S+ 0 0 83 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.920 126.8 48.5 -54.3 -45.5 -26.4 10.5 -0.7 59 63 X I H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 111.7 46.7 -65.1 -44.4 -23.5 8.5 -2.1 60 64 X H H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 114.1 50.2 -58.8 -44.8 -25.5 6.7 -4.8 61 65 X A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 111.3 46.2 -65.8 -42.7 -27.1 10.0 -5.7 62 66 X K H X S+ 0 0 32 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.878 112.0 52.3 -66.3 -35.7 -23.8 11.8 -6.1 63 67 X R H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.887 109.1 50.3 -67.5 -39.7 -22.4 8.8 -8.1 64 68 X T H X S+ 0 0 7 -4,-2.4 4,-2.2 -10,-0.4 -1,-0.2 0.922 112.5 46.2 -63.0 -45.7 -25.4 9.0 -10.4 65 69 X Y H X S+ 0 0 14 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.918 112.6 50.0 -63.9 -45.6 -24.9 12.7 -10.9 66 70 X R H X S+ 0 0 65 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.929 110.6 49.8 -57.8 -47.6 -21.2 12.4 -11.5 67 71 X E H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.936 114.0 44.6 -59.8 -47.6 -21.6 9.6 -14.1 68 72 X L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 113.4 50.4 -65.3 -44.5 -24.2 11.6 -16.0 69 73 X R H X S+ 0 0 28 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.923 112.9 46.4 -56.8 -48.7 -22.2 14.8 -15.9 70 74 X L H X S+ 0 0 26 -4,-2.9 4,-1.4 2,-0.2 3,-0.4 0.938 113.7 47.6 -61.5 -47.4 -19.0 13.1 -17.1 71 75 X L H < S+ 0 0 3 -4,-2.5 11,-1.0 -5,-0.2 3,-0.3 0.902 110.7 52.1 -62.6 -38.6 -20.8 11.3 -19.9 72 76 X K H < S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 109.1 51.7 -65.9 -28.8 -22.6 14.5 -21.0 73 77 X H H < S+ 0 0 30 -4,-1.4 2,-0.6 -3,-0.4 232,-0.2 0.815 85.7 96.0 -76.7 -32.9 -19.2 16.3 -21.2 74 78 X M < + 0 0 16 -4,-1.4 8,-0.4 -3,-0.3 2,-0.3 -0.499 36.5 157.0 -77.4 112.3 -17.3 13.8 -23.4 75 79 X K + 0 0 153 -2,-0.6 2,-0.3 6,-0.1 5,-0.1 -0.722 31.8 111.6-131.6 80.2 -17.3 14.8 -27.0 76 80 X H > - 0 0 14 3,-0.5 3,-1.7 -2,-0.3 57,-0.0 -0.991 69.1-121.9-154.4 142.3 -14.4 13.1 -28.7 77 81 X E T 3 S+ 0 0 104 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.745 112.4 45.0 -58.9 -28.4 -13.9 10.3 -31.2 78 82 X N T 3 S+ 0 0 9 83,-0.1 84,-2.5 2,-0.1 2,-0.4 0.166 104.4 70.2-105.8 19.5 -11.8 8.2 -28.8 79 83 X V B < S-f 162 0C 8 -3,-1.7 -3,-0.5 82,-0.3 84,-0.2 -0.997 88.3-106.8-135.5 136.6 -13.9 8.6 -25.7 80 84 X I - 0 0 2 82,-3.0 2,-0.3 -2,-0.4 -6,-0.1 -0.338 43.1-170.7 -60.3 140.7 -17.3 7.1 -25.0 81 85 X G - 0 0 14 -4,-0.1 2,-0.7 -6,-0.1 22,-0.5 -0.810 28.8 -90.8-129.6 175.4 -20.0 9.7 -25.1 82 86 X L + 0 0 9 -11,-1.0 20,-0.2 -8,-0.4 3,-0.1 -0.747 31.4 177.4 -94.3 116.0 -23.7 9.9 -24.3 83 87 X L S S- 0 0 27 18,-2.6 2,-0.3 -2,-0.7 19,-0.2 0.828 72.3 -14.5 -80.0 -32.6 -26.0 9.0 -27.1 84 88 X D E -E 101 0B 23 17,-1.4 17,-3.2 250,-0.1 2,-0.3 -0.971 50.8-163.9-164.4 150.6 -29.1 9.4 -24.9 85 89 X V E +E 100 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.978 26.4 163.7-140.4 135.9 -30.3 9.6 -21.3 86 90 X F E -E 99 0B 13 13,-2.2 13,-2.2 -2,-0.3 244,-0.1 -0.973 25.7-166.2-148.6 163.5 -33.9 9.1 -20.4 87 91 X T - 0 0 15 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.974 25.2-138.2-144.9 144.1 -36.4 8.4 -17.6 88 92 X P S S+ 0 0 17 0, 0.0 -84,-0.1 0, 0.0 10,-0.1 0.586 73.8 112.0 -75.0 -10.0 -40.1 7.3 -18.0 89 93 X A - 0 0 13 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.370 56.5-158.2 -62.9 142.1 -40.9 9.8 -15.2 90 94 X R S S+ 0 0 166 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.398 73.1 16.6-100.8 -2.2 -43.0 12.8 -16.3 91 95 X S S >> S- 0 0 21 1,-0.1 4,-0.6 0, 0.0 3,-0.5 -0.974 82.8 -99.9-158.4 169.4 -41.9 15.1 -13.4 92 96 X L G >4 S+ 0 0 61 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.854 120.0 59.6 -62.4 -35.6 -39.3 15.4 -10.6 93 97 X E G 34 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.836 111.6 38.6 -62.4 -34.0 -41.9 14.0 -8.2 94 98 X E G <4 S+ 0 0 99 -3,-0.5 2,-0.4 2,-0.0 -1,-0.2 0.490 88.2 123.4 -89.4 -6.7 -42.1 10.7 -10.2 95 99 X F << + 0 0 0 -3,-0.8 3,-0.1 -4,-0.6 231,-0.1 -0.407 18.7 125.2 -71.1 115.5 -38.4 10.7 -11.0 96 100 X N + 0 0 98 -2,-0.4 2,-0.3 1,-0.3 -41,-0.3 0.532 55.8 56.5-142.1 -20.0 -36.8 7.4 -9.8 97 101 X D - 0 0 49 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.931 52.8-166.4-125.5 150.7 -35.0 5.7 -12.6 98 102 X V - 0 0 0 -2,-0.3 -47,-2.4 -47,-0.3 2,-0.4 -0.999 3.1-168.2-136.3 129.0 -32.2 6.8 -14.9 99 103 X Y E -DE 50 86B 0 -13,-2.2 -13,-2.2 -2,-0.4 2,-0.4 -0.975 4.8-160.9-122.4 134.0 -31.1 5.1 -18.1 100 104 X L E -DE 49 85B 5 -51,-2.6 -51,-3.0 -2,-0.4 2,-0.5 -0.949 3.2-158.1-117.4 130.5 -27.9 5.9 -20.0 101 105 X V E +DE 48 84B 0 -17,-3.2 -18,-2.6 -2,-0.4 -17,-1.4 -0.931 18.9 163.3-115.0 127.8 -27.3 5.0 -23.7 102 106 X T E -D 47 0B 2 -55,-2.2 -55,-3.0 -2,-0.5 -20,-0.1 -0.876 44.0 -78.3-133.5 164.8 -23.8 4.7 -25.2 103 107 X H E -D 46 0B 55 -22,-0.5 2,-0.6 -2,-0.3 -57,-0.2 -0.322 32.1-148.8 -55.6 140.2 -22.1 3.2 -28.3 104 108 X L - 0 0 51 -59,-2.1 -59,-0.2 1,-0.1 -1,-0.1 -0.941 13.0-173.3-110.2 105.0 -21.6 -0.5 -28.2 105 109 X M - 0 0 18 -2,-0.6 51,-0.3 2,-0.1 -1,-0.1 0.867 35.9-123.0 -71.2 -34.9 -18.4 -0.9 -30.3 106 110 X G S S+ 0 0 48 1,-0.2 2,-0.3 49,-0.1 49,-0.2 0.163 74.6 27.2 120.1 -18.7 -18.5 -4.7 -30.2 107 111 X A E -G 154 0C 36 47,-1.1 47,-1.7 62,-0.0 2,-0.3 -0.904 59.7-150.4-153.7 179.1 -15.2 -5.8 -28.7 108 112 X D E -G 153 0C 7 45,-0.3 3,-0.5 -2,-0.3 45,-0.2 -0.895 34.8-101.7-149.2 177.6 -12.5 -4.6 -26.4 109 113 X L S > S+ 0 0 4 43,-1.5 3,-0.8 40,-1.5 4,-0.4 0.517 95.4 93.0 -83.5 -4.3 -8.7 -5.1 -25.9 110 114 X N T 3 S+ 0 0 79 39,-0.5 3,-0.2 1,-0.3 -1,-0.2 0.841 93.7 33.3 -61.7 -37.6 -9.2 -7.6 -23.0 111 115 X N T > S+ 0 0 79 -3,-0.5 3,-1.8 1,-0.2 4,-0.4 0.640 93.5 105.0 -83.4 -13.1 -9.1 -10.8 -25.1 112 116 X I T < S+ 0 0 32 -3,-0.8 4,-0.4 1,-0.3 3,-0.2 0.608 83.7 24.8 -67.7 -31.2 -6.7 -9.4 -27.6 113 117 X V T 3 S+ 0 0 9 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.269 86.5 106.1-111.5 13.5 -3.2 -11.0 -27.0 114 118 X K S < S+ 0 0 170 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.919 96.4 28.7 -52.7 -44.5 -4.4 -14.2 -25.2 115 119 X C S S- 0 0 126 -4,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.858 137.2 -16.3 -87.4 -43.2 -3.6 -16.1 -28.4 116 120 X Q - 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0 0 45 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.383 53.4-165.5 -71.5 121.4 8.7 7.6 5.8 239 253 X E H > S+ 0 0 130 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.909 95.6 49.5 -63.2 -44.6 12.1 6.3 6.8 240 254 X S H > S+ 0 0 84 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.903 109.2 51.7 -65.1 -35.7 10.7 2.9 7.5 241 255 X A H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.926 110.2 48.9 -66.1 -41.5 8.9 2.9 4.2 242 256 X R H X S+ 0 0 71 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.890 113.1 47.7 -64.7 -40.0 12.2 3.7 2.5 243 257 X N H X S+ 0 0 88 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.911 112.2 50.5 -59.9 -45.6 13.8 0.9 4.4 244 258 X Y H >X S+ 0 0 129 -4,-3.1 4,-0.8 1,-0.2 3,-0.5 0.899 111.2 46.1 -65.0 -45.0 10.9 -1.5 3.5 245 259 X I H >< S+ 0 0 33 -4,-2.9 3,-0.7 1,-0.2 4,-0.5 0.882 107.8 58.1 -65.9 -34.9 11.1 -0.8 -0.2 246 260 X Q H 3< S+ 0 0 112 -4,-1.7 3,-0.3 -5,-0.3 -1,-0.2 0.766 103.4 55.4 -63.4 -22.3 14.9 -1.1 -0.1 247 261 X S H << S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.752 109.5 43.3 -82.8 -22.9 14.3 -4.7 1.3 248 262 X L << 0 0 48 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.420 360.0 360.0 -93.2 0.9 12.1 -5.8 -1.7 249 263 X T 0 0 64 -4,-0.5 -2,-0.2 -3,-0.3 -3,-0.2 0.803 360.0 360.0-125.3 360.0 14.4 -4.1 -4.2 250 ! 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 0.0 251 267 X K 0 0 179 0, 0.0 -27,-0.1 0, 0.0 -28,-0.1 0.000 360.0 360.0 360.0 133.1 17.2 -5.1 -11.2 252 268 X M - 0 0 73 -29,-1.6 2,-0.5 1,-0.1 3,-0.1 -0.414 360.0 -94.3 -64.5 141.4 15.6 -7.4 -13.8 253 269 X N > - 0 0 82 1,-0.2 4,-0.7 -2,-0.1 -1,-0.1 -0.485 28.4-167.4 -70.6 115.4 16.2 -6.0 -17.3 254 270 X F H >> S+ 0 0 25 -2,-0.5 3,-1.0 -30,-0.3 4,-0.8 0.894 94.9 57.9 -50.4 -46.0 13.4 -3.8 -18.7 255 271 X A H >4 S+ 0 0 50 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.901 98.9 56.6 -58.9 -40.8 15.3 -4.2 -22.0 256 272 X N H >4 S+ 0 0 107 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.723 98.4 62.6 -66.8 -20.6 15.0 -8.1 -21.9 257 273 X V H << S+ 0 0 52 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.832 107.4 42.8 -68.9 -29.2 11.2 -7.8 -21.6 258 274 X F T X< S+ 0 0 8 -3,-1.0 3,-1.9 -4,-0.8 -1,-0.2 -0.109 75.8 159.1-115.9 36.1 11.0 -6.2 -25.0 259 275 X I T < S+ 0 0 131 -3,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.357 71.1 17.1 -60.7 133.2 13.4 -8.1 -27.2 260 276 X G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.339 96.7 131.7 87.5 -6.3 12.7 -7.7 -30.9 261 277 X A S < S- 0 0 31 -3,-1.9 -1,-0.3 1,-0.1 -3,-0.1 -0.416 72.1 -86.9 -78.9 156.1 10.5 -4.7 -30.4 262 278 X N >> - 0 0 44 1,-0.2 4,-2.1 -2,-0.1 3,-0.6 -0.379 35.8-134.5 -52.1 124.5 10.7 -1.4 -32.3 263 279 X P H 3> S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.819 106.1 58.1 -60.3 -28.1 13.3 0.6 -30.4 264 280 X L H 3> S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.858 105.4 50.3 -66.7 -36.5 11.0 3.6 -30.7 265 281 X A H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.920 111.2 47.9 -64.2 -43.4 8.3 1.6 -28.8 266 282 X V H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 109.4 53.3 -64.6 -40.1 10.8 0.7 -26.1 267 283 X D H X S+ 0 0 50 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.924 111.5 45.6 -60.7 -45.1 11.9 4.3 -25.8 268 284 X L H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.904 110.5 53.3 -64.6 -42.7 8.3 5.4 -25.3 269 285 X L H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.5 0.907 106.5 53.9 -57.5 -41.5 7.7 2.5 -22.8 270 286 X E H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 109.4 48.6 -63.6 -28.1 10.7 3.7 -20.8 271 287 X K H << S+ 0 0 91 -4,-1.0 10,-2.3 -3,-0.5 -1,-0.2 0.661 115.8 42.5 -86.2 -19.9 9.2 7.2 -20.7 272 288 X M H << S+ 0 0 0 -4,-1.2 2,-1.5 -3,-0.5 -2,-0.2 0.845 106.1 59.8 -90.1 -40.2 5.8 6.0 -19.5 273 289 X L S < S+ 0 0 6 -4,-2.9 2,-0.4 -5,-0.2 -1,-0.2 -0.484 71.4 136.9 -95.3 63.0 6.8 3.4 -16.9 274 290 X V - 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