#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fzj s LEU 2 N 0.00 3.89 -0.16 -0.89 1.43 -1.26 -5.04 118.68 116.64 3fzj s LEU 2 Ca 0.00 2.78 -0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3fzj s LEU 2 Cb 0.00 -4.23 0.00 0.00 0.03 0.00 0.00 46.19 42.00 3fzj s LEU 2 CO 0.00 -1.50 -0.15 -0.75 0.23 0.00 0.00 176.35 174.18 3fzj s LYS 3 N -2.84 3.20 0.23 1.70 2.20 -1.26 -5.05 119.74 117.92 3fzj s LYS 3 Ca 0.70 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 55.49 3fzj s LYS 3 Cb -0.41 -2.65 0.33 0.00 -1.51 0.00 0.00 37.83 33.59 3fzj s LYS 3 CO 0.49 -0.04 1.80 1.25 -0.36 0.00 0.00 175.35 178.49 3fzj h LEU 4 N 7.47 0.58 -1.19 5.43 5.85 -2.00 -1.13 115.31 130.31 3fzj h LEU 4 Ca -0.35 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.46 3fzj h LEU 4 Cb 1.18 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.09 3fzj h LEU 4 CO 0.58 0.35 0.56 -0.61 -0.34 0.00 0.00 178.44 178.98 3fzj h GLN 5 N 0.71 0.98 -0.30 1.25 4.15 -2.00 -1.97 115.11 117.94 3fzj h GLN 5 Ca 0.35 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.58 3fzj h GLN 5 Cb 0.30 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3fzj h GLN 5 CO -0.23 0.65 -0.34 1.15 -1.93 0.00 0.00 178.83 178.13 3fzj h THR 6 N 1.01 1.29 -0.43 2.39 2.02 -1.61 -1.18 112.91 116.39 3fzj h THR 6 Ca 0.35 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 66.06 3fzj h THR 6 Cb 0.12 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3fzj h THR 6 CO -0.12 0.48 0.28 -0.07 0.37 0.00 0.00 175.52 176.46 3fzj h LEU 7 N 0.55 0.49 -1.01 2.58 3.38 -0.97 -0.30 115.31 120.03 3fzj h LEU 7 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3fzj h LEU 7 Cb 0.84 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 3fzj h LEU 7 CO 0.07 0.35 0.55 1.56 0.09 0.00 0.00 178.44 181.06 3fzj h GLN 8 N 0.58 1.23 -0.73 1.13 4.20 -1.18 -1.48 115.11 118.85 3fzj h GLN 8 Ca 0.16 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3fzj h GLN 8 Cb -0.05 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.44 3fzj h GLN 8 CO -0.04 0.86 0.25 0.00 -0.67 0.00 0.00 178.83 179.23 3fzj h ALA 9 N 1.35 0.95 -0.56 3.87 0.00 -0.61 -1.43 119.26 122.82 3fzj h ALA 9 Ca 0.33 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3fzj h ALA 9 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3fzj h ALA 9 CO -0.06 0.62 0.10 1.25 0.00 0.00 0.00 179.25 181.15 3fzj h LEU 10 N 1.07 0.89 -0.45 0.00 5.85 -0.58 0.29 115.31 122.38 3fzj h LEU 10 Ca 0.24 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3fzj h LEU 10 Cb 0.28 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3fzj h LEU 10 CO -0.01 0.92 0.27 0.40 -0.34 0.00 0.00 178.44 179.68 3fzj h ILE 11 N 0.83 1.06 -0.61 4.05 2.04 -1.10 -0.68 117.51 123.09 3fzj h ILE 11 Ca 0.17 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.85 3fzj h ILE 11 Cb 0.40 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3fzj h ILE 11 CO 0.01 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.67 3fzj h ILE 13 N 0.83 0.87 -0.84 0.00 2.04 -0.55 -2.34 117.51 117.52 3fzj h ILE 13 Ca 0.23 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 66.01 3fzj h ILE 13 Cb -0.09 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 3fzj h ILE 13 CO -0.05 0.05 0.55 -0.08 0.00 0.00 0.00 178.15 178.62 3fzj h GLU 14 N 0.27 1.07 -0.90 2.37 4.57 -0.82 0.30 114.58 121.44 3fzj h GLU 14 Ca 0.17 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 3fzj h GLU 14 Cb 0.16 -0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 28.46 3fzj h GLU 14 CO -0.19 0.71 0.58 0.93 -1.18 0.00 0.00 179.01 179.86 3fzj h GLU 15 N 1.10 1.09 0.00 1.92 4.39 -0.68 -3.31 114.58 119.09 3fzj h GLU 15 Ca 0.32 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3fzj h GLU 15 Cb -0.08 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.33 3fzj h GLU 15 CO -0.08 0.72 -1.20 1.33 -1.16 0.00 0.00 179.01 178.61 3fzj n VAL 16 N -4.52 0.00 -0.99 3.13 0.24 -0.96 -5.03 118.33 110.20 3fzj n VAL 16 Ca 0.11 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3fzj n VAL 16 Cb 0.09 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3fzj n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fzj n GLY 17 N 1.59 0.58 3.02 7.63 0.00 0.10 -4.96 105.19 113.16 3fzj n GLY 17 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3fzj n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fzj s SER 18 N -2.24 0.15 0.00 1.61 0.15 -1.25 -0.87 113.70 111.25 3fzj s SER 18 Ca 0.00 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.03 3fzj s SER 18 Cb 0.00 0.13 -0.19 0.00 -1.71 0.00 0.00 66.02 64.25 3fzj s SER 18 CO 0.00 -0.30 1.36 0.25 1.20 0.00 0.00 173.24 175.75 3fzj h LEU 19 N 4.63 0.01 -0.69 3.45 5.85 -1.92 -2.41 115.31 124.23 3fzj h LEU 19 Ca -0.31 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.07 3fzj h LEU 19 Cb 1.20 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3fzj h LEU 19 CO 0.41 0.40 0.40 -0.09 -0.34 0.00 0.00 178.44 179.22 3fzj h ARG 20 N -0.38 0.73 -0.47 1.25 9.65 -1.96 0.11 114.38 123.32 3fzj h ARG 20 Ca 0.00 -0.04 -0.11 0.00 -1.10 0.00 0.00 59.98 58.73 3fzj h ARG 20 Cb 0.39 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 3fzj h ARG 20 CO 0.00 0.49 -0.15 0.00 2.80 0.00 0.00 179.97 183.10 3fzj h ALA 21 N 1.34 0.85 -0.08 2.80 0.00 -1.95 -2.76 119.26 119.46 3fzj h ALA 21 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3fzj h ALA 21 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fzj h ALA 21 CO -0.16 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.67 3fzj h ALA 22 N 1.03 0.11 -0.94 0.00 0.00 -0.99 -3.10 119.26 115.37 3fzj h ALA 22 Ca 0.12 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.94 3fzj h ALA 22 Cb 0.68 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 3fzj h ALA 22 CO 0.05 -0.09 0.52 0.00 0.00 0.00 0.00 179.25 179.74 3fzj h ALA 23 N 0.58 1.51 -0.23 0.00 0.00 -0.76 -0.55 119.26 119.82 3fzj h ALA 23 Ca 0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fzj h ALA 23 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fzj h ALA 23 CO 0.02 -0.10 0.12 0.37 0.00 0.00 0.00 179.25 179.65 3fzj h GLN 24 N 0.67 0.24 -0.69 0.00 5.75 -1.49 -1.48 115.11 118.11 3fzj h GLN 24 Ca 0.54 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.96 3fzj h GLN 24 Cb 0.84 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.31 3fzj h GLN 24 CO -0.40 0.16 0.18 1.37 -2.65 0.00 0.00 178.83 177.49 3fzj h LEU 25 N 0.24 1.02 -0.94 -2.39 8.10 -1.07 -2.87 115.31 117.40 3fzj h LEU 25 Ca 0.09 -0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.88 3fzj h LEU 25 Cb 0.02 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 39.97 3fzj h LEU 25 CO -0.06 0.97 0.00 -0.11 -4.11 0.00 0.00 178.44 175.13 3fzj n LEU 26 N -4.24 1.40 -3.60 0.17 7.94 -0.53 -4.94 117.00 113.19 3fzj n LEU 26 Ca 0.05 -0.61 -0.21 0.00 -1.11 0.00 0.00 56.01 54.13 3fzj n LEU 26 Cb 0.25 -0.11 0.05 0.00 0.53 0.00 0.00 43.42 44.13 3fzj n LEU 26 CO 0.42 0.31 -0.04 1.57 -1.11 0.00 0.00 177.39 178.54 3fzj n HIS 27 N 0.17 -2.02 -4.07 1.96 -0.00 -0.89 -5.00 115.22 105.36 3fzj n HIS 27 Ca 0.14 0.79 -0.11 0.00 0.46 0.00 0.00 57.72 59.01 3fzj n HIS 27 Cb 0.27 -4.29 -0.11 0.00 -0.12 0.00 0.00 29.99 25.75 3fzj n HIS 27 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 3fzj s LEU 28 N -6.42 2.35 0.28 0.27 2.96 -0.61 -5.06 118.68 112.44 3fzj s LEU 28 Ca 0.14 -0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 3fzj s LEU 28 Cb -0.03 -0.03 -0.12 0.00 0.50 0.00 0.00 46.19 46.51 3fzj s LEU 28 CO 0.80 -0.35 1.54 -0.24 -1.32 0.00 0.00 176.35 176.78 3fzj n SER 29 N 0.93 3.53 -0.27 3.68 2.88 -1.26 -4.48 113.62 118.62 3fzj n SER 29 Ca -0.19 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.65 3fzj n SER 29 Cb 0.57 -1.54 0.44 0.00 -0.75 0.00 0.00 64.21 62.93 3fzj n SER 29 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3fzj h GLN 30 N 4.66 0.53 0.01 -1.46 -0.00 -1.94 1.00 115.11 117.91 3fzj h GLN 30 Ca -0.46 -0.03 -0.21 0.00 -0.00 0.00 0.00 58.65 57.94 3fzj h GLN 30 Cb 1.24 -0.12 -0.03 0.00 0.00 0.00 0.00 27.48 28.57 3fzj h GLN 30 CO 0.79 0.35 -1.00 -1.35 0.00 0.00 0.00 178.83 177.62 3fzj h PRO 31 N 0.55 0.02 -0.90 -2.39 0.11 -1.99 -3.34 132.00 124.06 3fzj h PRO 31 Ca 0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3fzj h PRO 31 Cb 0.99 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3fzj h PRO 31 CO -0.22 1.00 0.56 0.00 -0.21 0.00 0.00 178.00 179.14 3fzj h ALA 32 N 0.98 1.14 -0.17 -0.75 0.00 -1.20 -0.14 119.26 119.13 3fzj h ALA 32 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3fzj h ALA 32 Cb 1.75 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3fzj h ALA 32 CO 0.13 0.58 0.00 1.25 0.00 0.00 0.00 179.25 181.21 3fzj h LEU 33 N 1.23 -0.06 -0.54 0.00 5.85 -1.47 -2.57 115.31 117.74 3fzj h LEU 33 Ca 0.32 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.14 3fzj h LEU 33 Cb -0.09 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 3fzj h LEU 33 CO -0.06 -0.01 0.26 0.28 -0.34 0.00 0.00 178.44 178.56 3fzj h SER 34 N 0.06 0.35 -0.56 1.25 0.02 -1.46 -0.78 113.55 112.43 3fzj h SER 34 Ca 0.08 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.18 3fzj h SER 34 Cb 0.10 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.51 3fzj h SER 34 CO -0.13 0.23 -0.17 0.00 -1.14 0.00 0.00 176.83 175.62 3fzj h ALA 35 N 1.31 0.30 -0.17 3.77 0.00 -0.84 0.60 119.26 124.23 3fzj h ALA 35 Ca 0.25 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3fzj h ALA 35 Cb 0.19 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fzj h ALA 35 CO -0.19 -0.47 0.04 0.00 0.00 0.00 0.00 179.25 178.63 3fzj h ALA 36 N 1.46 0.23 -0.25 0.00 0.00 -1.03 -0.65 119.26 119.02 3fzj h ALA 36 Ca 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fzj h ALA 36 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fzj h ALA 36 CO -0.59 -0.13 0.09 0.82 0.00 0.00 0.00 179.25 179.44 3fzj h ILE 37 N 0.09 1.19 -0.47 0.00 1.08 -0.75 -2.14 117.51 116.51 3fzj h ILE 37 Ca 0.06 -0.59 0.04 0.00 -0.39 0.00 0.00 64.86 63.97 3fzj h ILE 37 Cb 0.26 1.10 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 3fzj h ILE 37 CO 0.00 0.19 0.31 -0.61 -0.69 0.00 0.00 178.15 177.36 3fzj h GLN 38 N 0.25 0.49 -0.31 2.37 5.75 0.25 -0.08 115.11 123.82 3fzj h GLN 38 Ca 0.08 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3fzj h GLN 38 Cb 0.22 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 3fzj h GLN 38 CO -0.00 0.32 0.16 0.37 -2.65 0.00 0.00 178.83 177.03 3fzj h GLN 39 N 0.50 0.44 -0.60 1.69 4.15 -0.73 0.40 115.11 120.94 3fzj h GLN 39 Ca 0.19 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 3fzj h GLN 39 Cb 0.14 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3fzj h GLN 39 CO -0.05 0.39 0.15 1.25 -1.93 0.00 0.00 178.83 178.64 3fzj h LEU 40 N 0.37 0.91 -0.20 -2.39 5.85 -0.56 -2.38 115.31 116.91 3fzj h LEU 40 Ca 0.11 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 3fzj h LEU 40 Cb 0.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3fzj h LEU 40 CO -0.02 0.91 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.56 3fzj h GLU 41 N 0.88 0.43 -0.72 1.25 5.08 -0.83 -1.55 114.58 119.11 3fzj h GLU 41 Ca 0.19 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3fzj h GLU 41 Cb 0.35 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3fzj h GLU 41 CO 0.00 0.72 0.43 -0.44 -1.00 0.00 0.00 179.01 178.72 3fzj h ASP 42 N 0.13 0.66 -0.07 1.42 5.19 -0.17 0.11 116.42 123.68 3fzj h ASP 42 Ca 0.05 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.38 3fzj h ASP 42 Cb 0.59 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.99 3fzj h ASP 42 CO 0.03 0.44 -0.34 -0.08 -3.12 0.00 0.00 179.24 176.17 3fzj h GLU 43 N 0.80 0.35 0.00 3.56 4.81 -1.43 -2.81 114.58 119.86 3fzj h GLU 43 Ca 0.31 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3fzj h GLU 43 Cb 0.13 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3fzj h GLU 43 CO -0.16 0.93 0.00 1.28 -0.73 0.00 0.00 179.01 180.33 3fzj n LEU 44 N -4.41 0.56 -3.59 1.64 4.77 -0.59 -4.85 117.00 110.53 3fzj n LEU 44 Ca -0.08 0.74 -0.27 0.00 -0.03 0.00 0.00 56.01 56.37 3fzj n LEU 44 Cb 0.51 -0.78 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3fzj n LEU 44 CO 0.42 -0.87 0.01 0.29 -1.33 0.00 0.00 177.39 175.91 3fzj n LYS 45 N -2.23 -4.16 -3.75 3.23 5.02 0.34 -4.97 118.16 111.63 3fzj n LYS 45 Ca -0.01 0.55 -0.12 0.00 -2.02 0.00 0.00 58.31 56.70 3fzj n LYS 45 Cb 0.07 -5.33 -0.12 0.00 -0.02 0.00 0.00 35.03 29.63 3fzj n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fzj s ALA 46 N -3.10 -0.66 0.15 7.82 0.00 -1.00 -5.05 121.76 119.91 3fzj s ALA 46 Ca 0.51 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 3fzj s ALA 46 Cb -0.26 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.22 3fzj s ALA 46 CO 0.63 -0.17 1.34 -1.25 0.00 0.00 0.00 175.76 176.32 3fzj s PRO 47 N 0.68 4.36 -0.13 0.00 0.04 -1.26 -4.53 135.00 134.15 3fzj s PRO 47 Ca -0.04 2.05 0.18 0.00 0.04 0.00 0.00 61.00 63.23 3fzj s PRO 47 Cb -0.06 -3.23 -0.27 0.00 0.04 0.00 0.00 34.50 30.98 3fzj s PRO 47 CO -0.04 -0.35 0.21 1.28 0.04 0.00 0.00 177.00 178.14 3fzj n LEU 48 N 3.40 0.00 -4.32 -3.56 4.77 -1.26 -4.27 117.00 111.75 3fzj n LEU 48 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 3fzj n LEU 48 Cb 0.43 0.30 -0.12 0.00 -2.33 0.00 0.00 43.42 41.70 3fzj n LEU 48 CO 0.58 0.30 -0.50 -0.76 -1.33 0.00 0.00 177.39 175.68 3fzj s LEU 49 N -5.04 2.38 -0.03 2.23 1.43 -1.26 -1.29 118.68 117.09 3fzj s LEU 49 Ca -0.09 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.25 3fzj s LEU 49 Cb 0.08 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.44 3fzj s LEU 49 CO 0.81 0.01 -0.11 0.68 0.23 0.00 0.00 176.35 177.98 3fzj s VAL 50 N -1.65 0.92 0.02 -1.59 -7.23 0.12 -4.74 120.40 106.25 3fzj s VAL 50 Ca 0.12 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 3fzj s VAL 50 Cb -0.08 -0.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 3fzj s VAL 50 CO 0.06 0.29 1.67 -0.13 -0.31 0.00 0.00 175.10 176.67 3fzj s ARG 51 N 0.27 4.19 0.50 4.82 3.00 -1.26 -0.49 118.95 129.98 3fzj s ARG 51 Ca -0.05 2.29 0.05 0.00 0.00 0.00 0.00 55.73 58.02 3fzj s ARG 51 Cb -0.10 -3.78 -0.00 0.00 0.00 0.00 0.00 34.95 31.07 3fzj s ARG 51 CO 0.01 -0.78 0.22 0.95 0.00 0.00 0.00 175.30 175.69 3fzj s THR 52 N 3.26 1.66 0.30 0.02 -4.23 0.10 -4.92 115.64 111.83 3fzj s THR 52 Ca 0.75 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.53 3fzj s THR 52 Cb -0.37 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.33 3fzj s THR 52 CO 0.32 0.00 1.93 0.07 -0.54 0.00 0.00 174.62 176.40 3fzj h LYS 53 N 1.12 1.00 -0.01 3.99 -0.00 -1.99 -2.81 116.57 117.86 3fzj h LYS 53 Ca -0.41 -0.10 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3fzj h LYS 53 Cb 1.29 -0.21 0.00 0.00 -0.00 0.00 0.00 32.23 33.32 3fzj h LYS 53 CO 0.66 0.72 -0.04 2.89 -0.00 0.00 0.00 179.45 183.68 3fzj n ARG 54 N -4.38 1.45 0.00 0.07 -4.01 -1.26 -5.02 116.66 103.51 3fzj n ARG 54 Ca 0.08 -0.78 0.00 0.00 -1.04 0.00 0.00 57.85 56.10 3fzj n ARG 54 Cb 0.08 -1.48 0.00 0.00 -3.04 0.00 0.00 32.46 28.02 3fzj n ARG 54 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 3fzj n GLY 55 N 1.19 0.55 3.27 2.89 0.00 -1.06 -4.72 105.19 107.31 3fzj n GLY 55 Ca 0.18 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3fzj n GLY 55 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fzj s VAL 56 N 0.00 1.55 0.11 1.61 -7.23 -0.04 0.01 120.40 116.41 3fzj s VAL 56 Ca 0.00 -1.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3fzj s VAL 56 Cb 0.00 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3fzj s VAL 56 CO 0.00 -0.28 -0.11 -0.55 -0.31 0.00 0.00 175.10 173.85 3fzj s SER 57 N -2.31 1.63 0.23 4.85 0.15 0.36 -4.62 113.70 114.00 3fzj s SER 57 Ca 0.09 -0.83 -0.30 0.00 0.70 0.00 0.00 55.95 55.61 3fzj s SER 57 Cb -0.07 -0.01 -0.09 0.00 -1.71 0.00 0.00 66.02 64.14 3fzj s SER 57 CO 0.04 -0.24 1.14 -0.76 1.20 0.00 0.00 173.24 174.62 3fzj s LEU 58 N -2.53 4.50 1.16 3.45 1.43 -1.26 0.11 118.68 125.55 3fzj s LEU 58 Ca 0.08 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.25 3fzj s LEU 58 Cb -0.03 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 42.84 3fzj s LEU 58 CO 0.01 -0.24 1.09 0.42 0.23 0.00 0.00 176.35 177.86 3fzj s THR 59 N -0.66 1.71 0.24 5.49 -4.23 -0.41 -4.72 115.64 113.06 3fzj s THR 59 Ca 0.48 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3fzj s THR 59 Cb -0.32 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.27 3fzj s THR 59 CO 0.39 0.00 1.77 0.77 -0.54 0.00 0.00 174.62 177.01 3fzj h SER 60 N -2.45 0.47 -0.40 3.99 4.64 -1.89 -0.22 113.55 117.68 3fzj h SER 60 Ca -0.49 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3fzj h SER 60 Cb 1.31 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 3fzj h SER 60 CO 0.42 0.24 0.20 -0.26 -0.87 0.00 0.00 176.83 176.56 3fzj h PHE 61 N 0.60 0.58 -0.68 4.77 0.04 -1.91 -2.15 116.94 118.19 3fzj h PHE 61 Ca 0.39 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.18 3fzj h PHE 61 Cb 0.47 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.39 3fzj h PHE 61 CO -0.11 0.47 0.40 0.78 -0.60 0.00 0.00 178.31 179.25 3fzj h GLY 62 N 0.52 1.00 0.94 -1.45 0.00 -1.52 -0.61 103.07 101.94 3fzj h GLY 62 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3fzj h GLY 62 CO -0.02 0.21 0.14 1.46 0.00 0.00 0.00 176.54 178.33 3fzj h GLN 63 N 0.76 0.57 -0.71 4.80 4.20 -0.88 -1.15 115.11 122.69 3fzj h GLN 63 Ca 0.29 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3fzj h GLN 63 Cb 0.12 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3fzj h GLN 63 CO -0.15 0.55 0.44 0.00 -0.67 0.00 0.00 178.83 179.00 3fzj h ALA 64 N 0.99 0.91 -0.21 3.87 0.00 -1.21 -3.01 119.26 120.59 3fzj h ALA 64 Ca 0.12 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3fzj h ALA 64 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3fzj h ALA 64 CO -0.01 0.37 -0.26 0.35 0.00 0.00 0.00 179.25 179.69 3fzj h PHE 65 N 0.97 0.45 -0.94 0.00 3.57 -0.87 -3.29 116.94 116.82 3fzj h PHE 65 Ca 0.26 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.77 3fzj h PHE 65 Cb -0.05 -0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 3fzj h PHE 65 CO -0.01 0.63 0.57 0.52 -2.23 0.00 0.00 178.31 177.79 3fzj h MET 66 N 0.35 0.91 -0.85 1.11 2.86 -1.07 0.08 114.93 118.33 3fzj h MET 66 Ca 0.05 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3fzj h MET 66 Cb 0.66 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 3fzj h MET 66 CO 0.05 0.60 0.42 1.57 1.06 0.00 0.00 176.91 180.61 3fzj h LYS 67 N 0.94 1.22 -0.20 1.72 2.10 -1.70 0.01 116.57 120.67 3fzj h LYS 67 Ca 0.45 -0.17 -0.05 0.00 -2.00 0.00 0.00 60.65 58.88 3fzj h LYS 67 Cb 0.40 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.50 3fzj h LYS 67 CO -0.25 0.93 -0.08 0.45 -2.00 0.00 0.00 179.45 178.51 3fzj h HIS 68 N 1.21 0.46 -0.48 0.07 3.86 -1.53 -2.50 115.15 116.25 3fzj h HIS 68 Ca 0.29 -0.11 0.08 0.00 -1.16 0.00 0.00 60.37 59.48 3fzj h HIS 68 Cb 0.10 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 3fzj h HIS 68 CO 0.01 0.68 0.08 0.00 0.86 0.00 0.00 177.93 179.57 3fzj h ALA 69 N 0.71 0.53 -0.53 2.45 0.00 -0.66 -0.66 119.26 121.11 3fzj h ALA 69 Ca 0.05 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fzj h ALA 69 Cb 0.55 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3fzj h ALA 69 CO 0.03 -0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.13 3fzj h ARG 70 N 0.21 0.81 -0.29 0.00 3.08 -1.01 -0.19 114.38 116.99 3fzj h ARG 70 Ca 0.24 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3fzj h ARG 70 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3fzj h ARG 70 CO -0.33 0.74 0.03 1.25 -1.07 0.00 0.00 179.97 180.59 3fzj h LEU 71 N 0.72 0.48 -0.05 3.04 5.85 -1.11 -0.17 115.31 124.07 3fzj h LEU 71 Ca 0.17 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3fzj h LEU 71 Cb 0.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3fzj h LEU 71 CO -0.01 0.63 -0.12 0.40 -0.34 0.00 0.00 178.44 179.01 3fzj h ILE 72 N 0.31 0.69 -0.23 4.05 2.04 -0.97 0.10 117.51 123.49 3fzj h ILE 72 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3fzj h ILE 72 Cb 0.37 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3fzj h ILE 72 CO 0.01 0.00 0.08 0.58 0.00 0.00 0.00 178.15 178.82 3fzj h VAL 73 N -0.18 1.18 -0.43 1.67 2.07 -0.99 -1.07 116.25 118.51 3fzj h VAL 73 Ca 0.06 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 3fzj h VAL 73 Cb 0.26 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3fzj h VAL 73 CO -0.16 0.18 -0.23 0.71 0.02 0.00 0.00 177.57 178.10 3fzj h THR 74 N 0.22 1.27 -0.82 2.57 1.35 -0.96 -1.76 112.91 114.78 3fzj h THR 74 Ca 0.08 -1.37 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 3fzj h THR 74 Cb 0.21 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.78 3fzj h THR 74 CO -0.00 0.47 0.35 -0.33 -0.25 0.00 0.00 175.52 175.75 3fzj h GLU 75 N 0.76 1.21 -0.84 4.72 4.39 -0.77 0.98 114.58 125.03 3fzj h GLU 75 Ca 0.10 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3fzj h GLU 75 Cb 0.78 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 3fzj h GLU 75 CO 0.06 0.96 0.46 0.77 -1.16 0.00 0.00 179.01 180.11 3fzj h SER 76 N 1.18 1.05 -0.22 1.42 0.02 -0.97 0.29 113.55 116.33 3fzj h SER 76 Ca 0.27 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3fzj h SER 76 Cb 0.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3fzj h SER 76 CO -0.03 0.84 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.32 3fzj h ARG 77 N 1.17 0.45 -0.73 3.45 2.43 -0.98 -2.68 114.38 117.48 3fzj h ARG 77 Ca 0.30 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3fzj h ARG 77 Cb 0.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3fzj h ARG 77 CO -0.05 0.73 0.44 0.00 -1.51 0.00 0.00 179.97 179.58 3fzj h ARG 78 N 0.16 0.99 -0.13 0.20 3.08 -0.66 -0.65 114.38 117.38 3fzj h ARG 78 Ca 0.05 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.05 3fzj h ARG 78 Cb 0.59 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3fzj h ARG 78 CO 0.03 0.69 -0.09 0.00 -1.07 0.00 0.00 179.97 179.53 3fzj h ALA 79 N 1.48 0.01 -0.49 0.04 0.00 -0.83 0.78 119.26 120.25 3fzj h ALA 79 Ca 0.26 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3fzj h ALA 79 Cb -0.04 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3fzj h ALA 79 CO -0.05 -0.54 0.22 1.96 0.00 0.00 0.00 179.25 180.84 3fzj h GLN 80 N -0.10 0.72 -0.47 0.00 4.20 -1.13 -2.39 115.11 115.94 3fzj h GLN 80 Ca 0.08 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3fzj h GLN 80 Cb 0.22 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3fzj h GLN 80 CO -0.19 0.62 0.06 0.93 -0.67 0.00 0.00 178.83 179.59 3fzj h GLU 81 N 0.65 0.79 -0.31 1.46 5.08 -0.85 -2.05 114.58 119.35 3fzj h GLU 81 Ca 0.17 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3fzj h GLU 81 Cb 0.15 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3fzj h GLU 81 CO -0.02 0.81 0.16 1.49 -1.00 0.00 0.00 179.01 180.45 3fzj h GLU 82 N 0.66 0.32 -0.71 2.33 4.81 -0.80 -0.49 114.58 120.70 3fzj h GLU 82 Ca 0.14 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 3fzj h GLU 82 Cb 0.41 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 3fzj h GLU 82 CO 0.01 0.21 0.41 0.82 -0.73 0.00 0.00 179.01 179.74 3fzj h ILE 83 N 0.33 0.99 -0.46 2.32 1.08 -1.20 0.17 117.51 120.73 3fzj h ILE 83 Ca 0.13 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 3fzj h ILE 83 Cb 0.04 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 3fzj h ILE 83 CO -0.08 0.14 0.27 1.23 -0.69 0.00 0.00 178.15 179.02 3fzj h GLY 84 N 0.76 0.65 1.22 5.37 0.00 -1.02 -2.40 103.07 107.64 3fzj h GLY 84 Ca 0.32 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 3fzj h GLY 84 CO -0.18 0.18 0.20 1.46 0.00 0.00 0.00 176.54 178.20 3fzj h GLN 85 N 0.55 0.99 0.00 4.80 4.20 -0.17 0.47 115.11 125.94 3fzj h GLN 85 Ca 0.18 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3fzj h GLN 85 Cb 0.01 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3fzj h GLN 85 CO -0.08 0.85 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.81 3fzj h LEU 86 N 0.96 0.00 -1.69 1.46 3.38 -0.41 0.95 115.31 119.96 3fzj h LEU 86 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3fzj h LEU 86 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3fzj h LEU 86 CO -0.01 0.04 0.00 0.54 0.09 0.00 0.00 178.44 179.10 3fzj n ARG 87 N -3.25 2.09 -0.97 1.13 1.74 -0.63 -4.94 116.66 111.83 3fzj n ARG 87 Ca -0.01 -1.66 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 3fzj n ARG 87 Cb 0.21 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 3fzj n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fzj n GLY 88 N 1.29 0.45 3.39 -0.13 0.00 0.33 -5.00 105.19 105.52 3fzj n GLY 88 Ca 0.17 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 45.14 3fzj n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fzj s ARG 89 N -1.10 3.39 -1.28 1.61 3.52 0.06 -4.97 118.95 120.18 3fzj s ARG 89 Ca 0.00 -1.78 -0.12 0.00 -0.13 0.00 0.00 55.73 53.70 3fzj s ARG 89 Cb 0.00 -4.53 0.14 0.00 -1.56 0.00 0.00 34.95 29.01 3fzj s ARG 89 CO 0.00 -1.56 1.74 0.91 -0.81 0.00 0.00 175.30 175.59 3fzj n TRP 90 N 5.77 3.94 -4.26 5.12 7.02 -1.26 -2.74 117.44 131.04 3fzj n TRP 90 Ca 0.08 -3.02 -0.20 0.00 -1.02 0.00 0.00 57.50 53.34 3fzj n TRP 90 Cb 0.46 -2.18 -0.11 0.00 -2.42 0.00 0.00 31.31 27.05 3fzj n TRP 90 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3fzj s GLU 91 N 1.56 1.06 0.00 -0.99 2.02 -1.26 -4.28 118.70 116.81 3fzj s GLU 91 Ca 0.43 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.20 3fzj s GLU 91 Cb 0.05 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.23 3fzj s GLU 91 CO 0.00 0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3fzj n GLY 92 N 0.67 0.07 3.03 -1.39 0.00 -1.26 -4.75 105.19 101.55 3fzj n GLY 92 Ca -0.16 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.08 3fzj n GLY 92 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fzj s HIS 93 N -2.54 0.70 -0.04 1.61 3.76 -1.26 -0.58 115.29 116.94 3fzj s HIS 93 Ca 0.00 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 3fzj s HIS 93 Cb 0.00 -0.43 0.02 0.00 1.11 0.00 0.00 32.58 33.27 3fzj s HIS 93 CO 0.00 -0.02 -0.07 0.42 -0.85 0.00 0.00 174.74 174.22 3fzj s ILE 94 N -0.61 0.68 -0.11 0.60 1.01 0.04 -4.94 121.20 117.88 3fzj s ILE 94 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.44 3fzj s ILE 94 Cb -0.05 -0.66 0.01 0.00 0.01 0.00 0.00 42.46 41.76 3fzj s ILE 94 CO 0.00 0.25 -0.20 -0.89 0.00 0.00 0.00 174.94 174.10 3fzj s THR 95 N 0.74 1.82 0.13 2.92 2.01 -1.26 -0.68 115.64 121.31 3fzj s THR 95 Ca -0.11 -0.85 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 3fzj s THR 95 Cb -0.14 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.77 3fzj s THR 95 CO 0.01 0.50 0.29 0.72 -0.69 0.00 0.00 174.62 175.45 3fzj s PHE 96 N 0.68 0.15 0.12 4.92 -0.12 -0.49 0.17 117.98 123.40 3fzj s PHE 96 Ca -0.12 -0.53 0.09 0.00 -0.05 0.00 0.00 56.93 56.32 3fzj s PHE 96 Cb -0.16 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 3fzj s PHE 96 CO 0.03 -0.66 -0.18 0.00 -0.05 0.00 0.00 175.22 174.35 3fzj s ALA 97 N -3.89 2.69 0.04 1.99 0.00 -0.95 -1.51 121.76 120.12 3fzj s ALA 97 Ca 0.09 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.70 3fzj s ALA 97 Cb 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3fzj s ALA 97 CO -0.07 0.59 -0.06 0.00 0.00 0.00 0.00 175.76 176.22 3fzj s ALA 98 N -1.16 0.40 0.63 0.00 0.00 -0.16 -0.79 121.76 120.67 3fzj s ALA 98 Ca 0.18 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 3fzj s ALA 98 Cb -0.10 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3fzj s ALA 98 CO 0.10 -0.09 0.94 -1.54 0.00 0.00 0.00 175.76 175.17 3fzj s SER 99 N -1.61 5.37 0.16 0.00 1.04 -0.27 -2.94 113.70 115.45 3fzj s SER 99 Ca -0.11 0.66 -0.14 0.00 0.48 0.00 0.00 55.95 56.83 3fzj s SER 99 Cb -0.09 -1.54 0.05 0.00 0.10 0.00 0.00 66.02 64.54 3fzj s SER 99 CO -0.01 -1.23 1.78 -0.65 0.98 0.00 0.00 173.24 174.12 3fzj h PRO 100 N -0.32 0.71 -0.78 4.02 0.11 -1.91 -0.28 132.00 133.55 3fzj h PRO 100 Ca -0.45 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3fzj h PRO 100 Cb 1.27 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3fzj h PRO 100 CO 0.61 0.54 0.51 0.00 -0.21 0.00 0.00 178.00 179.45 3fzj h ALA 101 N 1.13 1.00 -0.11 -0.75 0.00 -1.96 -2.05 119.26 116.53 3fzj h ALA 101 Ca 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3fzj h ALA 101 Cb 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3fzj h ALA 101 CO -0.03 0.38 -0.00 0.82 0.00 0.00 0.00 179.25 180.42 3fzj h ILE 102 N 1.04 1.25 -0.26 0.00 1.08 -1.89 -3.02 117.51 115.71 3fzj h ILE 102 Ca 0.29 -0.81 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 3fzj h ILE 102 Cb -0.09 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 3fzj h ILE 102 CO -0.08 0.23 0.12 0.00 -0.69 0.00 0.00 178.15 177.74 3fzj h ALA 103 N 0.74 1.73 0.00 1.87 0.00 -0.82 0.10 119.26 122.89 3fzj h ALA 103 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fzj h ALA 103 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fzj h ALA 103 CO 0.01 0.22 -0.88 1.28 0.00 0.00 0.00 179.25 179.88 3fzj n LEU 104 N -4.45 0.63 0.03 0.00 4.77 -0.79 -4.31 117.00 112.88 3fzj n LEU 104 Ca 0.01 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3fzj n LEU 104 Cb 0.11 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3fzj n LEU 104 CO 0.36 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 3fzj n ALA 105 N -1.79 3.00 -0.12 -1.18 0.00 -1.11 -4.90 120.51 114.41 3fzj n ALA 105 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3fzj n ALA 105 Cb 0.43 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3fzj n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fzj h ALA 106 N 0.00 0.66 -0.32 0.00 0.00 -1.62 -3.35 119.26 114.62 3fzj h ALA 106 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3fzj h ALA 106 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fzj h ALA 106 CO 0.00 0.67 0.07 1.25 0.00 0.00 0.00 179.25 181.24 3fzj h LEU 107 N 0.77 0.50 -0.94 0.00 5.85 -1.19 -0.43 115.31 119.86 3fzj h LEU 107 Ca 0.08 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fzj h LEU 107 Cb 0.90 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3fzj h LEU 107 CO 0.08 0.62 0.62 -0.65 -0.34 0.00 0.00 178.44 178.77 3fzj h PRO 108 N 0.37 1.19 -0.26 5.25 0.11 -1.75 0.13 132.00 137.03 3fzj h PRO 108 Ca 0.10 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.96 3fzj h PRO 108 Cb 0.32 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3fzj h PRO 108 CO 0.00 0.79 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.99 3fzj h LEU 109 N 1.23 0.92 -0.38 2.35 3.38 -1.70 -2.83 115.31 118.28 3fzj h LEU 109 Ca 0.36 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 3fzj h LEU 109 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3fzj h LEU 109 CO -0.10 1.29 -0.23 0.00 0.09 0.00 0.00 178.44 179.48 3fzj h ALA 110 N 0.66 0.54 -0.63 1.53 0.00 -0.59 -1.41 119.26 119.36 3fzj h ALA 110 Ca 0.01 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3fzj h ALA 110 Cb 1.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3fzj h ALA 110 CO 0.12 0.53 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 3fzj h LEU 111 N 0.63 1.06 -0.56 0.00 3.38 -0.83 0.48 115.31 119.47 3fzj h LEU 111 Ca 0.08 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3fzj h LEU 111 Cb 0.80 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3fzj h LEU 111 CO 0.07 1.09 0.36 0.00 0.09 0.00 0.00 178.44 180.05 3fzj h ALA 112 N 1.01 0.71 -0.27 1.53 0.00 -1.39 0.11 119.26 120.96 3fzj h ALA 112 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3fzj h ALA 112 Cb 0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3fzj h ALA 112 CO 0.03 0.11 -0.03 0.77 0.00 0.00 0.00 179.25 180.12 3fzj h SER 113 N 0.72 0.49 -0.58 0.00 0.02 -0.91 -2.27 113.55 111.02 3fzj h SER 113 Ca 0.21 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 3fzj h SER 113 Cb -0.04 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3fzj h SER 113 CO -0.07 0.72 0.34 0.15 -1.14 0.00 0.00 176.83 176.84 3fzj h PHE 114 N 0.26 0.64 -0.48 3.45 3.57 -0.76 -2.51 116.94 121.11 3fzj h PHE 114 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3fzj h PHE 114 Cb 0.49 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3fzj h PHE 114 CO 0.04 0.36 0.10 0.00 -2.23 0.00 0.00 178.31 176.58 3fzj h ALA 115 N 1.26 1.27 -0.84 2.41 0.00 -0.69 0.31 119.26 122.98 3fzj h ALA 115 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fzj h ALA 115 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fzj h ALA 115 CO -0.11 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.05 3fzj h ARG 116 N 0.71 1.21 0.17 0.00 3.08 -1.21 -2.49 114.38 115.85 3fzj h ARG 116 Ca 0.16 -0.18 -0.30 0.00 0.07 0.00 0.00 59.98 59.72 3fzj h ARG 116 Cb 0.29 -0.22 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3fzj h ARG 116 CO 0.00 0.93 -1.39 1.49 -1.07 0.00 0.00 179.97 179.93 3fzj h GLU 117 N 1.19 0.35 -2.21 0.04 4.81 -1.00 -3.40 114.58 114.37 3fzj h GLU 117 Ca 0.29 -0.60 -0.59 0.00 -0.13 0.00 0.00 59.36 58.33 3fzj h GLU 117 Cb 0.13 0.22 -0.41 0.00 0.63 0.00 0.00 28.75 29.32 3fzj h GLU 117 CO -0.04 1.27 -0.81 1.19 -0.73 0.00 0.00 179.01 179.89 3fzj n PHE 118 N -3.57 1.79 0.30 0.92 3.72 0.10 -4.97 117.46 115.75 3fzj n PHE 118 Ca -0.13 -3.89 0.16 0.00 -0.05 0.00 0.00 57.45 53.54 3fzj n PHE 118 Cb 1.05 -0.43 0.92 0.00 -0.94 0.00 0.00 39.48 40.09 3fzj n PHE 118 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fzj h PRO 119 N 4.31 0.00 -0.47 -1.08 0.13 -1.66 -3.01 132.00 130.22 3fzj h PRO 119 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3fzj h PRO 119 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3fzj h PRO 119 CO 0.65 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 3fzj n ASP 120 N -3.58 3.55 -4.77 1.44 8.00 -1.26 -4.92 116.55 115.00 3fzj n ASP 120 Ca -0.02 -1.98 -0.39 0.00 0.71 0.00 0.00 54.79 53.10 3fzj n ASP 120 Cb 0.13 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 3fzj n ASP 120 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fzj s VAL 121 N -1.34 4.84 -0.26 2.53 1.01 -1.14 -4.20 120.40 121.85 3fzj s VAL 121 Ca 0.40 1.29 -0.16 0.00 0.00 0.00 0.00 61.98 63.52 3fzj s VAL 121 Cb 0.23 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3fzj s VAL 121 CO 0.31 0.44 0.42 -0.89 0.00 0.00 0.00 175.10 175.39 3fzj s THR 122 N -0.38 5.14 -0.09 3.92 2.01 0.25 -4.97 115.64 121.53 3fzj s THR 122 Ca 0.32 0.69 0.00 0.00 0.31 0.00 0.00 61.69 63.01 3fzj s THR 122 Cb -0.19 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 3fzj s THR 122 CO 0.18 0.15 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.49 3fzj s VAL 123 N 2.05 3.56 -0.19 3.82 1.01 -1.26 -0.78 120.40 128.61 3fzj s VAL 123 Ca 0.18 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3fzj s VAL 123 Cb -0.16 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.79 3fzj s VAL 123 CO 0.09 0.57 -0.11 0.21 0.00 0.00 0.00 175.10 175.86 3fzj s ASN 124 N -0.44 3.23 -0.08 3.32 3.84 0.14 -4.96 114.94 120.00 3fzj s ASN 124 Ca 0.06 -0.80 0.02 0.00 0.21 0.00 0.00 52.86 52.36 3fzj s ASN 124 Cb -0.12 -1.22 -0.02 0.00 -0.55 0.00 0.00 41.25 39.33 3fzj s ASN 124 CO 0.02 -0.12 -0.12 0.54 -2.79 0.00 0.00 177.10 174.62 3fzj s VAL 125 N 1.42 3.19 0.21 -5.21 0.11 -1.26 -1.40 120.40 117.45 3fzj s VAL 125 Ca 0.00 -0.66 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 3fzj s VAL 125 Cb -0.15 -2.28 -0.05 0.00 -1.53 0.00 0.00 36.38 32.36 3fzj s VAL 125 CO -0.09 0.57 0.06 0.00 -3.33 0.00 0.00 175.10 172.32 3fzj s ARG 126 N -0.45 1.24 0.53 1.54 1.70 -0.57 -5.00 118.95 117.95 3fzj s ARG 126 Ca 0.06 -1.64 -0.19 0.00 -0.47 0.00 0.00 55.73 53.49 3fzj s ARG 126 Cb -0.12 -0.16 -0.07 0.00 -0.57 0.00 0.00 34.95 34.03 3fzj s ARG 126 CO 0.02 -0.24 1.07 -0.51 -1.08 0.00 0.00 175.30 174.55 3fzj s ASP 127 N -3.22 6.03 -0.21 -2.89 1.01 -1.26 -0.99 116.67 115.13 3fzj s ASP 127 Ca 0.32 1.97 -0.31 0.00 0.71 0.00 0.00 52.55 55.23 3fzj s ASP 127 Cb 0.07 -2.56 0.15 0.00 1.01 0.00 0.00 42.92 41.59 3fzj s ASP 127 CO 0.09 -1.00 1.19 -0.83 0.21 0.00 0.00 175.17 174.83 3fzj s GLY 128 N -2.12 -0.15 0.02 0.21 0.00 -1.15 -4.66 107.32 99.46 3fzj s GLY 128 Ca 0.68 2.15 0.00 0.00 0.00 0.00 0.00 44.72 47.55 3fzj s GLY 128 CO 0.26 0.88 -0.02 -0.29 0.00 0.00 0.00 173.10 173.93 3fzj s MET 129 N -1.55 0.24 0.29 2.90 1.75 -1.26 -4.02 119.30 117.65 3fzj s MET 129 Ca 0.06 -0.44 -0.29 0.00 -1.25 0.00 0.00 55.69 53.77 3fzj s MET 129 Cb -0.01 0.05 -0.09 0.00 2.84 0.00 0.00 34.83 37.62 3fzj s MET 129 CO -0.04 -0.03 1.09 -0.47 -0.65 0.00 0.00 175.02 174.92 3fzj s TYR 130 N -1.03 3.56 -2.41 4.11 5.04 -1.26 -1.49 117.35 123.88 3fzj s TYR 130 Ca -0.11 1.70 0.24 0.00 -2.44 0.00 0.00 57.07 56.46 3fzj s TYR 130 Cb -0.07 -3.26 0.81 0.00 0.35 0.00 0.00 41.96 39.79 3fzj s TYR 130 CO -0.01 -0.52 1.60 -0.35 -1.34 0.00 0.00 175.55 174.93 3fzj n PRO 131 N 1.07 1.79 -0.18 4.97 -0.04 -1.26 -4.17 135.00 137.17 3fzj n PRO 131 Ca -0.01 -1.17 0.14 0.00 -0.04 0.00 0.00 63.50 62.43 3fzj n PRO 131 Cb 0.45 -1.44 0.48 0.00 -0.04 0.00 0.00 33.50 32.96 3fzj n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fzj h ALA 132 N 4.23 2.05 0.00 0.55 0.00 -1.66 -1.31 119.26 123.13 3fzj h ALA 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3fzj h ALA 132 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fzj h ALA 132 CO 0.00 -0.26 0.00 1.33 0.00 0.00 0.00 179.25 180.32 3fzj n VAL 133 N -4.49 0.76 -0.21 0.00 0.24 -0.74 -4.24 118.33 109.65 3fzj n VAL 133 Ca 0.14 0.12 -0.04 0.00 -2.04 0.00 0.00 64.34 62.52 3fzj n VAL 133 Cb 0.50 -0.99 0.06 0.00 -1.47 0.00 0.00 33.84 31.94 3fzj n VAL 133 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3fzj h SER 134 N 0.00 0.59 -0.08 -1.34 0.02 -1.54 -1.53 113.55 109.68 3fzj h SER 134 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 3fzj h SER 134 Cb 0.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3fzj h SER 134 CO 0.00 0.41 -0.08 -0.65 -1.14 0.00 0.00 176.83 175.37 3fzj h PRO 135 N 0.72 0.35 -0.01 3.45 0.11 -1.81 -0.61 132.00 134.21 3fzj h PRO 135 Ca 0.25 -0.08 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 3fzj h PRO 135 Cb 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3fzj h PRO 135 CO -0.11 0.45 -0.81 1.96 -0.21 0.00 0.00 178.00 179.28 3fzj h GLN 136 N 0.34 0.15 -0.68 1.05 7.50 -1.70 -1.29 115.11 120.48 3fzj h GLN 136 Ca 0.07 -0.15 -0.06 0.00 0.50 0.00 0.00 58.65 59.01 3fzj h GLN 136 Cb 0.36 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.90 3fzj h GLN 136 CO 0.02 0.88 0.19 -0.07 -1.50 0.00 0.00 178.83 178.35 3fzj h LEU 137 N 0.09 1.01 -0.59 1.46 3.38 -0.91 -1.37 115.31 118.38 3fzj h LEU 137 Ca -0.03 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 3fzj h LEU 137 Cb 1.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3fzj h LEU 137 CO 0.12 0.97 -0.65 0.03 0.09 0.00 0.00 178.44 179.00 3fzj h ARG 138 N 1.00 0.24 -0.17 1.13 3.08 -0.84 -2.97 114.38 115.86 3fzj h ARG 138 Ca 0.22 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3fzj h ARG 138 Cb 0.33 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3fzj h ARG 138 CO -0.00 0.81 0.00 -0.40 -1.07 0.00 0.00 179.97 179.30 3fzj n ASP 139 N -3.84 2.14 0.00 7.04 5.68 -0.51 -4.95 116.55 122.11 3fzj n ASP 139 Ca -0.03 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 3fzj n ASP 139 Cb 0.65 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 3fzj n ASP 139 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fzj n GLY 140 N 1.24 0.72 0.21 6.12 0.00 -1.12 -3.03 105.19 109.32 3fzj n GLY 140 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 3fzj n GLY 140 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fzj h THR 141 N 0.00 0.39 -3.21 2.61 1.35 -1.73 -3.41 112.91 108.91 3fzj h THR 141 Ca 0.00 -1.25 -0.67 0.00 -0.55 0.00 0.00 66.41 63.95 3fzj h THR 141 Cb 0.04 1.94 -0.32 0.00 -1.73 0.00 0.00 68.15 68.08 3fzj h THR 141 CO 0.00 0.19 -0.83 -0.22 -0.25 0.00 0.00 175.52 174.41 3fzj s LEU 142 N -6.45 2.33 0.14 3.87 2.96 -0.56 -4.81 118.68 116.15 3fzj s LEU 142 Ca 0.03 -0.55 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 3fzj s LEU 142 Cb 0.08 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 45.15 3fzj s LEU 142 CO 0.66 0.05 1.33 0.44 -1.32 0.00 0.00 176.35 177.50 3fzj h ASP 143 N 7.57 0.16 -4.89 3.68 3.32 -0.52 -3.37 116.42 122.37 3fzj h ASP 143 Ca -0.37 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 56.59 3fzj h ASP 143 Cb 1.17 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 40.55 3fzj h ASP 143 CO 0.59 1.02 0.35 0.72 -1.72 0.00 0.00 179.24 180.20 3fzj s PHE 144 N -2.97 -0.39 -0.03 4.55 -0.12 -1.24 -4.76 117.98 113.02 3fzj s PHE 144 Ca -0.01 0.18 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 3fzj s PHE 144 Cb 0.10 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 43.05 3fzj s PHE 144 CO 0.83 -0.76 -0.15 0.00 -0.05 0.00 0.00 175.22 175.09 3fzj s ALA 145 N -3.47 1.32 -0.48 1.99 0.00 -0.38 -2.25 121.76 118.49 3fzj s ALA 145 Ca 0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 3fzj s ALA 145 Cb -0.01 -0.40 0.11 0.00 0.00 0.00 0.00 23.12 22.82 3fzj s ALA 145 CO -0.08 0.27 0.37 -0.51 0.00 0.00 0.00 175.76 175.81 3fzj s LEU 146 N -0.11 5.73 0.01 0.00 1.43 0.03 -0.19 118.68 125.58 3fzj s LEU 146 Ca 0.00 -1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 51.17 3fzj s LEU 146 Cb -0.09 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3fzj s LEU 146 CO 0.01 -0.71 0.36 0.28 0.23 0.00 0.00 176.35 176.52 3fzj s THR 147 N 1.45 0.06 0.61 5.49 -1.32 -0.33 -1.12 115.64 120.48 3fzj s THR 147 Ca 0.04 -0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 59.88 3fzj s THR 147 Cb -0.26 -0.78 -0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3fzj s THR 147 CO 0.01 -0.26 1.17 0.00 -2.21 0.00 0.00 174.62 173.33 3fzj s ALA 148 N -1.78 2.51 0.02 11.08 0.00 -1.26 -0.48 121.76 131.85 3fzj s ALA 148 Ca -0.10 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 3fzj s ALA 148 Cb -0.03 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.78 3fzj s ALA 148 CO 0.02 -1.19 0.84 0.00 0.00 0.00 0.00 175.76 175.43 3fzj s ALA 149 N -1.84 -1.78 -0.34 0.00 0.00 -1.13 -4.36 121.76 112.30 3fzj s ALA 149 Ca 0.74 0.93 -0.14 0.00 0.00 0.00 0.00 51.96 53.49 3fzj s ALA 149 Cb -0.27 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3fzj s ALA 149 CO 0.35 -0.69 0.30 -1.01 0.00 0.00 0.00 175.76 174.71 3fzj s HIS 150 N -3.18 3.22 0.04 0.00 3.76 -1.26 -4.56 115.29 113.31 3fzj s HIS 150 Ca 0.04 -0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.75 3fzj s HIS 150 Cb -0.01 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 3fzj s HIS 150 CO -0.09 -0.40 0.41 1.17 -0.85 0.00 0.00 174.74 174.98 3fzj n LYS 151 N 5.24 -0.10 0.25 1.40 4.81 -1.26 -0.79 118.16 127.70 3fzj n LYS 151 Ca -0.11 0.40 0.13 0.00 -0.87 0.00 0.00 58.31 57.86 3fzj n LYS 151 Cb 0.49 -0.59 0.63 0.00 0.02 0.00 0.00 35.03 35.59 3fzj n LYS 151 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3fzj h HIS 152 N 0.00 0.00 0.08 5.64 3.86 -2.05 -3.12 115.15 119.56 3fzj h HIS 152 Ca 0.04 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.98 3fzj h HIS 152 Cb 0.10 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.58 3fzj h HIS 152 CO -0.29 0.14 -1.15 -0.44 0.86 0.00 0.00 177.93 177.06 3fzj h ASP 153 N 0.00 0.69 -2.33 2.45 3.32 -1.39 -3.48 116.42 115.69 3fzj h ASP 153 Ca -0.00 -0.62 -0.59 0.00 0.02 0.00 0.00 57.03 55.83 3fzj h ASP 153 Cb 0.52 -0.22 0.06 0.00 0.22 0.00 0.00 39.33 39.91 3fzj h ASP 153 CO 0.02 1.44 0.70 -0.38 -1.72 0.00 0.00 179.24 179.30 3fzj n ILE 154 N -3.73 0.29 -1.63 0.35 5.41 -1.18 -4.88 119.36 113.99 3fzj n ILE 154 Ca -0.10 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.16 3fzj n ILE 154 Cb 0.94 -1.44 0.01 0.00 -0.71 0.00 0.00 39.64 38.45 3fzj n ILE 154 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3fzj n ASP 155 N 2.94 1.54 0.27 4.38 8.00 -1.26 -4.88 116.55 127.54 3fzj n ASP 155 Ca 0.15 1.04 0.13 0.00 0.71 0.00 0.00 54.79 56.82 3fzj n ASP 155 Cb 0.28 -1.39 0.76 0.00 -0.02 0.00 0.00 41.12 40.75 3fzj n ASP 155 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fzj h THR 156 N 1.60 0.56 -0.01 -3.53 1.03 -1.99 -1.91 112.91 108.67 3fzj h THR 156 Ca -0.45 -0.43 0.00 0.00 -0.01 0.00 0.00 66.41 65.52 3fzj h THR 156 Cb 1.33 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 3fzj h THR 156 CO 0.57 0.09 -0.05 -0.90 -0.01 0.00 0.00 175.52 175.23 3fzj n ASP 157 N -3.69 0.58 -4.91 0.00 5.75 -1.26 -4.84 116.55 108.18 3fzj n ASP 157 Ca -0.02 -0.93 -0.31 0.00 -0.01 0.00 0.00 54.79 53.52 3fzj n ASP 157 Cb 0.21 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 3fzj n ASP 157 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3fzj s LEU 158 N -2.21 4.33 -0.04 -2.12 1.43 -0.72 -1.10 118.68 118.25 3fzj s LEU 158 Ca 0.37 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 3fzj s LEU 158 Cb 0.21 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3fzj s LEU 158 CO 0.41 0.16 -0.10 -0.70 0.23 0.00 0.00 176.35 176.35 3fzj s GLU 159 N -2.54 2.57 -0.21 1.70 2.12 0.11 -4.75 118.70 117.69 3fzj s GLU 159 Ca 0.35 -0.67 -0.02 0.00 0.36 0.00 0.00 54.97 54.99 3fzj s GLU 159 Cb -0.13 -2.47 0.06 0.00 0.26 0.00 0.00 34.13 31.85 3fzj s GLU 159 CO 0.28 0.63 0.02 0.00 -0.54 0.00 0.00 175.26 175.65 3fzj s ALA 160 N -0.84 1.25 -0.22 6.30 0.00 -1.26 -1.76 121.76 125.23 3fzj s ALA 160 Ca 0.13 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 3fzj s ALA 160 Cb -0.11 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3fzj s ALA 160 CO 0.03 -1.23 0.10 -0.65 0.00 0.00 0.00 175.76 174.00 3fzj s GLN 161 N 1.74 3.91 0.32 0.00 -1.52 -0.34 -4.90 119.66 118.87 3fzj s GLN 161 Ca -0.01 -0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 52.75 3fzj s GLN 161 Cb -0.17 -3.36 -0.11 0.00 -0.22 0.00 0.00 33.01 29.15 3fzj s GLN 161 CO -0.09 0.06 1.56 -2.14 -0.25 0.00 0.00 175.29 174.43 3fzj s PRO 162 N 0.98 4.12 -0.03 2.91 0.02 -1.26 -0.24 135.00 141.49 3fzj s PRO 162 Ca 0.05 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.64 3fzj s PRO 162 Cb -0.14 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 3fzj s PRO 162 CO 0.03 -0.60 -0.04 -0.11 -0.33 0.00 0.00 177.00 175.96 3fzj n LEU 163 N 1.59 1.33 -3.66 -5.54 7.94 0.55 -4.78 117.00 114.43 3fzj n LEU 163 Ca 0.06 0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.84 3fzj n LEU 163 Cb 0.38 -0.10 -0.08 0.00 0.53 0.00 0.00 43.42 44.15 3fzj n LEU 163 CO 0.64 0.26 0.31 -0.47 -1.11 0.00 0.00 177.39 177.02 3fzj s TYR 164 N -2.06 -0.72 -0.39 1.96 5.04 -0.96 -4.82 117.35 115.40 3fzj s TYR 164 Ca -0.04 1.71 -0.15 0.00 -2.44 0.00 0.00 57.07 56.14 3fzj s TYR 164 Cb 0.01 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.60 3fzj s TYR 164 CO 0.06 -0.35 0.33 0.08 -1.34 0.00 0.00 175.55 174.33 3fzj s VAL 165 N 0.47 5.21 0.81 3.14 1.01 -1.26 -0.21 120.40 129.58 3fzj s VAL 165 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3fzj s VAL 165 Cb -0.05 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.57 3fzj s VAL 165 CO -0.01 -0.24 1.14 -0.94 0.00 0.00 0.00 175.10 175.04 3fzj s SER 166 N 1.73 4.04 -0.06 3.32 1.04 0.04 -4.96 113.70 118.84 3fzj s SER 166 Ca 0.08 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.75 3fzj s SER 166 Cb -0.18 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.39 3fzj s SER 166 CO 0.11 -2.11 -0.15 -0.62 0.98 0.00 0.00 173.24 171.45 3fzj s ASP 167 N -4.71 2.04 -0.15 7.02 -1.08 -1.26 -3.78 116.67 114.74 3fzj s ASP 167 Ca 0.67 -0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 52.29 3fzj s ASP 167 Cb -0.07 -0.80 -0.04 0.00 -1.46 0.00 0.00 42.92 40.55 3fzj s ASP 167 CO 0.48 0.09 0.06 -0.69 0.52 0.00 0.00 175.17 175.63 3fzj s VAL 168 N 0.39 4.78 0.19 1.11 1.01 -1.23 -0.41 120.40 126.24 3fzj s VAL 168 Ca -0.11 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3fzj s VAL 168 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3fzj s VAL 168 CO 0.04 0.52 -0.17 0.68 0.00 0.00 0.00 175.10 176.17 3fzj s VAL 169 N -0.15 1.83 -0.17 2.92 -7.23 -0.53 -4.85 120.40 112.23 3fzj s VAL 169 Ca 0.07 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 3fzj s VAL 169 Cb -0.12 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3fzj s VAL 169 CO 0.01 -0.45 0.10 -0.63 -0.31 0.00 0.00 175.10 173.82 3fzj s ILE 170 N -2.51 5.11 -0.01 -0.62 1.01 -1.26 -1.58 121.20 121.33 3fzj s ILE 170 Ca 0.20 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.97 3fzj s ILE 170 Cb -0.03 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.14 3fzj s ILE 170 CO 0.07 0.50 -0.15 -0.69 0.00 0.00 0.00 174.94 174.67 3fzj s VAL 171 N -0.03 1.20 0.34 2.92 1.01 -0.55 -0.92 120.40 124.36 3fzj s VAL 171 Ca 0.08 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3fzj s VAL 171 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3fzj s VAL 171 CO 0.00 0.34 0.23 -0.83 0.00 0.00 0.00 175.10 174.84 3fzj s GLY 172 N -0.30 2.32 0.78 4.51 0.00 -0.69 -1.97 107.32 111.97 3fzj s GLY 172 Ca 0.05 -1.83 -0.14 0.00 0.00 0.00 0.00 44.72 42.80 3fzj s GLY 172 CO -0.00 -1.56 1.20 -0.86 0.00 0.00 0.00 173.10 171.88 3fzj s GLN 173 N -3.59 1.79 0.46 2.90 1.03 -1.25 -0.87 119.66 120.13 3fzj s GLN 173 Ca 0.36 1.74 0.21 0.00 0.04 0.00 0.00 55.36 57.71 3fzj s GLN 173 Cb 0.03 -1.79 1.20 0.00 0.03 0.00 0.00 33.01 32.48 3fzj s GLN 173 CO 0.23 -2.10 1.92 -0.09 -2.54 0.00 0.00 175.29 172.70 3fzj h ARG 174 N -0.74 0.25 -0.38 9.60 2.43 -1.06 -1.88 114.38 122.60 3fzj h ARG 174 Ca -0.47 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.55 3fzj h ARG 174 Cb 1.29 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.70 3fzj h ARG 174 CO 0.47 0.17 0.02 1.04 -1.51 0.00 0.00 179.97 180.16 3fzj n GLN 175 N -4.43 2.32 -1.70 0.20 6.02 -1.26 -4.84 117.38 113.69 3fzj n GLN 175 Ca 0.15 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.00 53.68 3fzj n GLN 175 Cb 0.65 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3fzj n GLN 175 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3fzj n HIS 176 N -0.88 2.18 -0.33 1.08 -0.00 -0.71 -4.88 115.22 111.69 3fzj n HIS 176 Ca 0.31 0.52 0.21 0.00 0.46 0.00 0.00 57.72 59.22 3fzj n HIS 176 Cb 1.05 -2.39 0.47 0.00 -0.12 0.00 0.00 29.99 28.99 3fzj n HIS 176 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fzj h PRO 177 N 2.26 0.45 -0.57 1.57 0.11 -1.96 -0.87 132.00 133.00 3fzj h PRO 177 Ca -0.47 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3fzj h PRO 177 Cb 1.29 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3fzj h PRO 177 CO 0.61 0.29 0.08 -1.33 -0.21 0.00 0.00 178.00 177.44 3fzj n MET 178 N -4.71 4.13 0.03 1.05 2.81 -1.26 -4.63 117.12 114.55 3fzj n MET 178 Ca 0.26 -3.10 0.15 0.00 -1.81 0.00 0.00 57.70 53.20 3fzj n MET 178 Cb 0.83 -2.17 0.63 0.00 -0.71 0.00 0.00 33.22 31.80 3fzj n MET 178 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fzj h ALA 179 N 3.14 2.25 -0.67 3.04 0.00 -1.50 -1.87 119.26 123.65 3fzj h ALA 179 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fzj h ALA 179 Cb 2.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.78 3fzj h ALA 179 CO 0.52 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.49 3fzj n ASN 180 N -4.44 4.11 -4.77 0.00 3.02 -1.26 -4.32 115.26 107.60 3fzj n ASN 180 Ca 0.07 -2.19 -0.36 0.00 -0.03 0.00 0.00 54.58 52.07 3fzj n ASN 180 Cb 0.43 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 39.08 3fzj n ASN 180 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fzj s ALA 181 N -1.40 2.82 0.00 5.41 0.00 -0.71 -4.91 121.76 122.97 3fzj s ALA 181 Ca 0.48 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3fzj s ALA 181 Cb 0.28 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3fzj s ALA 181 CO 0.28 -0.75 0.26 0.25 0.00 0.00 0.00 175.76 175.80 3fzj n THR 182 N -0.93 0.00 -4.59 0.00 -2.24 -1.26 -3.46 114.28 101.79 3fzj n THR 182 Ca 0.10 -0.41 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 3fzj n THR 182 Cb 0.49 1.12 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 3fzj n THR 182 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fzj s ARG 183 N -0.29 1.10 0.35 -0.78 1.81 -1.26 0.18 118.95 120.07 3fzj s ARG 183 Ca 0.00 -0.46 0.07 0.00 -1.72 0.00 0.00 55.73 53.62 3fzj s ARG 183 Cb 0.00 -1.05 0.76 0.00 -0.45 0.00 0.00 34.95 34.21 3fzj s ARG 183 CO 0.00 0.27 1.91 1.25 -0.68 0.00 0.00 175.30 178.05 3fzj h LEU 184 N 5.89 0.68 -1.82 2.53 5.85 -1.96 -1.43 115.31 125.05 3fzj h LEU 184 Ca -0.34 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.57 3fzj h LEU 184 Cb 1.17 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3fzj h LEU 184 CO 0.49 0.39 0.46 0.00 -0.34 0.00 0.00 178.44 179.44 3fzj h ALA 185 N 1.59 2.37 0.00 1.25 0.00 -1.96 -0.69 119.26 121.82 3fzj h ALA 185 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3fzj h ALA 185 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fzj h ALA 185 CO -0.15 -0.55 0.00 0.93 0.00 0.00 0.00 179.25 179.47 3fzj h GLU 186 N 0.18 0.00 -0.21 0.00 5.08 -1.68 -2.51 114.58 115.44 3fzj h GLU 186 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3fzj h GLU 186 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3fzj h GLU 186 CO -0.05 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.24 3fzj n LEU 187 N -2.44 2.81 -0.14 1.33 4.77 -0.27 -4.64 117.00 118.42 3fzj n LEU 187 Ca 0.01 -1.11 0.17 0.00 -0.03 0.00 0.00 56.01 55.06 3fzj n LEU 187 Cb 0.22 -0.13 0.55 0.00 -2.33 0.00 0.00 43.42 41.73 3fzj n LEU 187 CO 0.20 0.55 1.21 1.56 -1.33 0.00 0.00 177.39 179.58 3fzj h GLN 188 N 3.91 0.31 -0.02 3.23 4.20 -1.51 -1.23 115.11 123.99 3fzj h GLN 188 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3fzj h GLN 188 Cb 0.85 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3fzj h GLN 188 CO 0.00 0.20 -0.19 0.39 -0.67 0.00 0.00 178.83 178.56 3fzj n GLU 189 N -4.45 1.66 -1.60 1.46 -0.58 -1.26 -4.57 120.64 111.29 3fzj n GLU 189 Ca 0.14 -1.28 -0.32 0.00 -0.42 0.00 0.00 57.16 55.28 3fzj n GLU 189 Cb 0.58 -1.47 0.06 0.00 -0.57 0.00 0.00 31.44 30.03 3fzj n GLU 189 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fzj s ARG 191 N -4.50 3.43 -0.03 0.00 0.52 -1.26 -4.04 118.95 113.07 3fzj s ARG 191 Ca 0.63 -0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.68 3fzj s ARG 191 Cb -0.18 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 3fzj s ARG 191 CO 0.48 0.73 -0.22 -1.58 0.02 0.00 0.00 175.30 174.72 3fzj s TRP 192 N -1.17 2.45 -0.49 -0.53 0.52 -0.64 -1.44 118.94 117.64 3fzj s TRP 192 Ca 0.21 -0.39 -0.23 0.00 0.02 0.00 0.00 56.10 55.70 3fzj s TRP 192 Cb -0.12 -1.55 0.03 0.00 -1.15 0.00 0.00 33.47 30.68 3fzj s TRP 192 CO 0.11 0.00 0.83 0.00 0.02 0.00 0.00 176.95 177.91 3fzj s ALA 193 N -0.58 3.25 -0.17 0.98 0.00 0.42 0.12 121.76 125.77 3fzj s ALA 193 Ca 0.09 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 3fzj s ALA 193 Cb -0.11 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3fzj s ALA 193 CO -0.00 -2.10 1.38 -0.06 0.00 0.00 0.00 175.76 174.98 3fzj s PHE 194 N 3.48 2.58 0.33 0.00 0.40 0.35 -4.46 117.98 120.65 3fzj s PHE 194 Ca 0.29 0.78 0.06 0.00 -0.60 0.00 0.00 56.93 57.47 3fzj s PHE 194 Cb -0.13 -3.70 -0.01 0.00 0.51 0.00 0.00 43.02 39.69 3fzj s PHE 194 CO 0.21 -2.24 0.47 -1.54 0.70 0.00 0.00 175.22 172.82 3fzj s SER 195 N 2.62 5.99 0.46 1.36 1.04 -1.26 -0.85 113.70 123.07 3fzj s SER 195 Ca 0.60 -0.16 -0.23 0.00 0.48 0.00 0.00 55.95 56.64 3fzj s SER 195 Cb -0.23 -1.27 -0.07 0.00 0.10 0.00 0.00 66.02 64.54 3fzj s SER 195 CO 0.20 -0.41 1.17 -0.44 0.98 0.00 0.00 173.24 174.74 3fzj s SER 196 N -4.16 6.15 0.03 7.02 0.01 -1.26 -0.45 113.70 121.04 3fzj s SER 196 Ca 0.44 2.32 -0.26 0.00 1.31 0.00 0.00 55.95 59.76 3fzj s SER 196 Cb -0.09 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.59 3fzj s SER 196 CO 0.31 -0.93 0.60 0.00 0.41 0.00 0.00 173.24 173.64 3fzj s ALA 197 N -1.54 -1.57 0.32 1.44 0.00 -1.24 -4.86 121.76 114.32 3fzj s ALA 197 Ca 0.64 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.57 3fzj s ALA 197 Cb -0.29 0.32 0.81 0.00 0.00 0.00 0.00 23.12 23.97 3fzj s ALA 197 CO 0.35 -0.50 1.78 -1.35 0.00 0.00 0.00 175.76 176.04 3fzj h PRO 198 N 2.73 0.67 -0.15 0.00 0.11 -1.86 0.28 132.00 133.77 3fzj h PRO 198 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fzj h PRO 198 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fzj h PRO 198 CO 0.39 0.44 0.00 0.54 -0.21 0.00 0.00 178.00 179.17 3fzj n ARG 199 N -4.73 1.44 0.00 1.05 1.74 -1.26 -4.43 116.66 110.46 3fzj n ARG 199 Ca 0.23 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 3fzj n ARG 199 Cb 0.62 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 3fzj n ARG 199 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fzj n GLY 200 N 0.90 2.25 3.72 -0.13 0.00 0.98 -4.83 105.19 108.08 3fzj n GLY 200 Ca 0.11 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 3fzj n GLY 200 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fzj n PRO 201 N 0.17 2.64 -0.95 1.61 -0.02 -1.26 -1.84 135.00 135.36 3fzj n PRO 201 Ca 0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3fzj n PRO 201 Cb 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 30.74 3fzj n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fzj n GLY 202 N 2.89 0.66 0.36 -1.23 0.00 0.40 -4.87 105.19 103.40 3fzj n GLY 202 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3fzj n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fzj h ALA 203 N 0.00 1.59 0.03 4.61 0.00 -1.59 -0.54 119.26 123.36 3fzj h ALA 203 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fzj h ALA 203 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3fzj h ALA 203 CO 0.00 0.31 -0.01 0.82 0.00 0.00 0.00 179.25 180.37 3fzj h ILE 204 N 0.90 1.22 -0.47 0.00 2.04 -1.90 -0.12 117.51 119.18 3fzj h ILE 204 Ca 0.33 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3fzj h ILE 204 Cb 0.15 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3fzj h ILE 204 CO -0.11 0.20 -0.08 -0.29 0.00 0.00 0.00 178.15 177.88 3fzj h ILE 205 N -0.39 1.26 -0.58 -0.67 6.09 -1.91 -0.33 117.51 120.98 3fzj h ILE 205 Ca -0.00 -1.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.34 3fzj h ILE 205 Cb 0.37 0.98 -0.03 0.00 0.47 0.00 0.00 36.82 38.61 3fzj h ILE 205 CO 0.01 0.40 0.38 0.03 -3.07 0.00 0.00 178.15 175.89 3fzj h ARG 206 N 0.77 0.76 -0.02 2.19 3.08 -1.04 0.60 114.38 120.73 3fzj h ARG 206 Ca 0.13 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 3fzj h ARG 206 Cb 0.57 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3fzj h ARG 206 CO 0.04 0.52 -0.67 -0.91 -1.07 0.00 0.00 179.97 177.87 3fzj h ASN 207 N 0.78 0.09 -0.10 7.04 2.35 -0.85 -0.56 115.58 124.33 3fzj h ASN 207 Ca 0.21 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 3fzj h ASN 207 Cb -0.08 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3fzj h ASN 207 CO -0.04 0.73 -0.09 0.00 -1.65 0.00 0.00 177.43 176.38 3fzj h ALA 208 N 1.27 0.14 -0.53 -0.83 0.00 -0.79 -1.82 119.26 116.71 3fzj h ALA 208 Ca -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.68 3fzj h ALA 208 Cb 1.19 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3fzj h ALA 208 CO 0.09 -0.03 0.22 0.74 0.00 0.00 0.00 179.25 180.27 3fzj h PHE 209 N -0.17 0.38 0.10 0.00 -1.00 -0.80 -1.89 116.94 113.57 3fzj h PHE 209 Ca 0.02 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.84 3fzj h PHE 209 Cb 0.59 -0.09 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 3fzj h PHE 209 CO 0.08 0.14 -0.21 0.00 -1.61 0.00 0.00 178.31 176.71 3fzj h ALA 210 N 1.34 -0.35 -0.01 2.45 0.00 -1.01 -0.87 119.26 120.80 3fzj h ALA 210 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3fzj h ALA 210 Cb 0.25 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3fzj h ALA 210 CO -0.23 -0.74 -0.19 0.00 0.00 0.00 0.00 179.25 178.08 3fzj h ARG 211 N -0.40 0.02 -0.23 0.00 3.08 -1.00 -1.21 114.38 114.64 3fzj h ARG 211 Ca 0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3fzj h ARG 211 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3fzj h ARG 211 CO -0.13 0.22 0.00 0.66 -1.07 0.00 0.00 179.97 179.65 3fzj n TYR 212 N -4.30 0.30 -1.01 3.04 4.01 -0.74 -4.91 117.16 113.55 3fzj n TYR 212 Ca -0.02 -0.15 -0.01 0.00 -0.16 0.00 0.00 57.90 57.57 3fzj n TYR 212 Cb 0.26 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.29 3fzj n TYR 212 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fzj n GLY 213 N 0.84 0.43 3.96 2.72 0.00 -0.46 -5.00 105.19 107.69 3fzj n GLY 213 Ca 0.07 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 3fzj n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fzj s LEU 214 N -0.11 4.23 1.26 0.99 1.43 -0.36 -5.04 118.68 121.08 3fzj s LEU 214 Ca 0.00 0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 3fzj s LEU 214 Cb 0.00 -3.01 0.31 0.00 0.03 0.00 0.00 46.19 43.52 3fzj s LEU 214 CO 0.00 -0.14 1.07 -2.84 0.23 0.00 0.00 176.35 174.67 3fzj s PRO 215 N -4.06 -1.67 0.39 1.29 0.02 -1.26 -4.30 135.00 125.41 3fzj s PRO 215 Ca 0.36 -0.03 -0.27 0.00 0.02 0.00 0.00 61.00 61.08 3fzj s PRO 215 Cb -0.09 -1.54 -0.11 0.00 0.02 0.00 0.00 34.50 32.78 3fzj s PRO 215 CO 0.31 -4.02 1.41 0.39 -0.33 0.00 0.00 177.00 174.76 3fzj n GLU 216 N -4.99 2.39 -2.20 5.54 -0.58 -1.26 -4.68 120.64 114.87 3fzj n GLU 216 Ca 0.13 0.84 -0.35 0.00 -0.42 0.00 0.00 57.16 57.36 3fzj n GLU 216 Cb 0.60 -2.56 0.01 0.00 -0.57 0.00 0.00 31.44 28.91 3fzj n GLU 216 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3fzj s PRO 217 N -2.14 3.28 -0.17 3.49 0.04 -1.26 -4.96 135.00 133.27 3fzj s PRO 217 Ca 0.56 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3fzj s PRO 217 Cb -0.49 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 3fzj s PRO 217 CO 0.62 -0.91 1.05 0.15 0.04 0.00 0.00 177.00 177.95 3fzj s LYS 218 N -3.35 4.32 -0.18 4.56 1.02 -1.26 -4.98 119.74 119.87 3fzj s LYS 218 Ca 0.73 1.41 -0.29 0.00 0.02 0.00 0.00 55.97 57.84 3fzj s LYS 218 Cb -0.24 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.45 3fzj s LYS 218 CO 0.29 -0.52 1.21 -1.17 -0.92 0.00 0.00 175.35 174.23 3fzj s LEU 219 N 2.78 4.16 -0.20 3.17 2.96 -1.26 -1.62 118.68 128.67 3fzj s LEU 219 Ca 0.47 1.62 -0.18 0.00 -0.22 0.00 0.00 54.13 55.82 3fzj s LEU 219 Cb -0.17 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 3fzj s LEU 219 CO 0.11 -0.74 0.05 0.61 -1.32 0.00 0.00 176.35 175.06 3fzj n GLY 220 N 3.54 -0.84 3.84 7.98 0.00 0.12 -4.77 105.19 115.06 3fzj n GLY 220 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 3fzj n GLY 220 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3fzj s LEU 221 N -7.94 -0.26 -0.20 0.99 0.05 -0.84 -4.97 118.68 105.51 3fzj s LEU 221 Ca -0.26 -0.57 -0.05 0.00 0.05 0.00 0.00 54.13 53.30 3fzj s LEU 221 Cb 0.05 2.67 -0.02 0.00 -2.05 0.00 0.00 46.19 46.84 3fzj s LEU 221 CO 0.48 -1.29 0.00 -0.69 -0.55 0.00 0.00 176.35 174.30 3fzj s VAL 222 N -3.85 3.94 -0.31 1.48 1.01 -1.26 -0.50 120.40 120.91 3fzj s VAL 222 Ca 0.11 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3fzj s VAL 222 Cb -0.05 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.63 3fzj s VAL 222 CO 0.06 0.42 0.04 0.00 0.00 0.00 0.00 175.10 175.62 3fzj h GLU 224 N 7.81 0.00 -5.55 0.00 5.08 -1.96 -3.36 114.58 116.60 3fzj h GLU 224 Ca -0.10 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.62 3fzj h GLU 224 Cb 1.03 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.14 3fzj h GLU 224 CO 0.49 0.00 0.21 0.45 -1.00 0.00 0.00 179.01 179.15 3fzj s SER 225 N -4.77 6.39 0.57 1.42 0.15 -1.26 -4.62 113.70 111.59 3fzj s SER 225 Ca 0.09 -0.10 0.36 0.00 0.70 0.00 0.00 55.95 57.00 3fzj s SER 225 Cb 0.11 -2.34 1.59 0.00 -1.71 0.00 0.00 66.02 63.66 3fzj s SER 225 CO 0.58 -0.76 2.07 -0.26 1.20 0.00 0.00 173.24 176.07 3fzj h PHE 226 N 8.76 0.00 -0.38 3.44 0.04 -2.01 -2.38 116.94 124.41 3fzj h PHE 226 Ca -0.25 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.48 3fzj h PHE 226 Cb 1.10 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 3fzj h PHE 226 CO 0.76 0.01 0.08 1.25 -0.60 0.00 0.00 178.31 179.81 3fzj h LEU 227 N 0.00 0.59 -0.26 1.54 5.85 -1.98 -3.19 115.31 117.86 3fzj h LEU 227 Ca -0.00 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 3fzj h LEU 227 Cb 0.41 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3fzj h LEU 227 CO 0.00 0.68 -0.41 0.00 -0.34 0.00 0.00 178.44 178.37 3fzj h ALA 228 N 0.93 0.78 -0.22 1.25 0.00 -1.92 -3.40 119.26 116.68 3fzj h ALA 228 Ca 0.12 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3fzj h ALA 228 Cb 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fzj h ALA 228 CO 0.00 0.51 0.09 1.25 0.00 0.00 0.00 179.25 181.10 3fzj h LEU 229 N 0.00 0.12 -0.66 0.00 5.85 -1.41 -2.23 115.31 116.97 3fzj h LEU 229 Ca -0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3fzj h LEU 229 Cb 1.21 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3fzj h LEU 229 CO 0.05 0.10 0.31 -0.65 -0.34 0.00 0.00 178.44 177.91 3fzj h PRO 230 N 0.20 0.96 -0.60 5.25 0.11 -1.78 -1.74 132.00 134.40 3fzj h PRO 230 Ca 0.09 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 3fzj h PRO 230 Cb 0.04 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.96 3fzj h PRO 230 CO -0.08 0.77 0.22 0.78 -0.21 0.00 0.00 178.00 179.48 3fzj h GLY 231 N 0.92 0.95 0.98 -0.55 0.00 -1.80 -0.07 103.07 103.51 3fzj h GLY 231 Ca 0.23 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3fzj h GLY 231 CO -0.03 0.47 0.28 -2.08 0.00 0.00 0.00 176.54 175.19 3fzj h VAL 232 N 0.87 1.20 -0.44 4.60 2.07 -0.78 -2.54 116.25 121.22 3fzj h VAL 232 Ca 0.20 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 3fzj h VAL 232 Cb 0.20 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3fzj h VAL 232 CO -0.01 0.22 -0.13 0.58 0.02 0.00 0.00 177.57 178.25 3fzj h VAL 233 N 0.75 1.27 0.00 2.57 2.07 -1.11 -3.13 116.25 118.67 3fzj h VAL 233 Ca 0.19 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3fzj h VAL 233 Cb 0.09 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3fzj h VAL 233 CO -0.03 0.43 -0.09 0.00 0.02 0.00 0.00 177.57 177.90 3fzj h ALA 234 N 0.86 1.85 -0.43 1.67 0.00 -0.76 -2.49 119.26 119.96 3fzj h ALA 234 Ca 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3fzj h ALA 234 Cb 0.67 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 3fzj h ALA 234 CO 0.05 0.11 0.07 0.72 0.00 0.00 0.00 179.25 180.19 3fzj n HIS 235 N -4.42 1.43 -3.73 0.00 8.25 -0.98 -4.79 115.22 110.97 3fzj n HIS 235 Ca -0.03 -1.24 -0.05 0.00 -0.26 0.00 0.00 57.72 56.15 3fzj n HIS 235 Cb 0.16 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 3fzj n HIS 235 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3fzj n SER 236 N -0.68 -0.44 -1.29 0.41 3.41 -0.94 -5.03 113.62 109.07 3fzj n SER 236 Ca 0.32 -1.62 0.08 0.00 -0.26 0.00 0.00 58.87 57.39 3fzj n SER 236 Cb 1.09 0.82 0.30 0.00 -0.26 0.00 0.00 64.21 66.17 3fzj n SER 236 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fzj n ASP 237 N -1.98 4.35 -4.76 4.04 8.00 -1.26 -4.49 116.55 120.44 3fzj n ASP 237 Ca 0.00 -2.57 -0.41 0.00 0.71 0.00 0.00 54.79 52.53 3fzj n ASP 237 Cb 0.19 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 3fzj n ASP 237 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fzj s LEU 238 N -2.05 4.46 0.20 0.64 1.43 -1.26 -4.68 118.68 117.43 3fzj s LEU 238 Ca 0.45 2.54 -0.00 0.00 -1.03 0.00 0.00 54.13 56.09 3fzj s LEU 238 Cb 0.31 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3fzj s LEU 238 CO 0.18 -0.43 0.39 -0.76 0.23 0.00 0.00 176.35 175.97 3fzj s LEU 239 N -1.50 4.23 0.22 1.79 1.43 -0.52 -4.51 118.68 119.82 3fzj s LEU 239 Ca 0.49 0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 3fzj s LEU 239 Cb -0.37 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3fzj s LEU 239 CO 0.48 -0.05 0.26 0.28 0.23 0.00 0.00 176.35 177.56 3fzj s THR 240 N -1.88 0.00 -0.04 5.49 -1.32 -0.83 -0.44 115.64 116.61 3fzj s THR 240 Ca 0.38 -1.78 -0.01 0.00 -1.21 0.00 0.00 61.69 59.07 3fzj s THR 240 Cb -0.11 -2.40 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 3fzj s THR 240 CO 0.29 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 173.17 3fzj s THR 241 N -4.08 4.59 0.09 5.08 -4.23 -1.26 -1.48 115.64 114.35 3fzj s THR 241 Ca 0.33 -0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 60.43 3fzj s THR 241 Cb 0.04 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.85 3fzj s THR 241 CO 0.11 0.47 0.21 0.00 -0.54 0.00 0.00 174.62 174.87 3fzj s MET 242 N -1.35 0.87 0.42 3.99 0.23 -0.61 -4.76 119.30 118.08 3fzj s MET 242 Ca 0.18 -0.93 -0.26 0.00 -1.03 0.00 0.00 55.69 53.65 3fzj s MET 242 Cb -0.12 0.35 -0.09 0.00 -1.53 0.00 0.00 34.83 33.44 3fzj s MET 242 CO 0.08 -0.28 1.40 -2.30 -2.03 0.00 0.00 175.02 171.89 3fzj n PRO 243 N -0.07 2.25 -0.27 3.16 -0.02 -1.26 -1.46 135.00 137.33 3fzj n PRO 243 Ca -0.15 0.80 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 3fzj n PRO 243 Cb 0.63 -2.56 0.35 0.00 -0.02 0.00 0.00 33.50 31.89 3fzj n PRO 243 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fzj h ARG 244 N 2.38 0.74 -0.77 -0.52 2.43 -1.07 -1.48 114.38 116.09 3fzj h ARG 244 Ca -0.50 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.74 3fzj h ARG 244 Cb 1.27 -0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.57 3fzj h ARG 244 CO 0.61 0.49 0.37 1.15 -1.51 0.00 0.00 179.97 181.08 3fzj h THR 245 N 0.76 0.78 -0.58 0.20 2.02 -1.90 0.10 112.91 114.29 3fzj h THR 245 Ca 0.43 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.30 3fzj h THR 245 Cb 0.59 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3fzj h THR 245 CO -0.19 0.11 -0.05 0.25 0.37 0.00 0.00 175.52 176.00 3fzj h LEU 246 N 0.59 1.05 -0.92 2.58 5.85 -1.57 -0.84 115.31 122.06 3fzj h LEU 246 Ca 0.40 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3fzj h LEU 246 Cb 0.49 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3fzj h LEU 246 CO -0.32 1.13 0.60 0.22 -0.34 0.00 0.00 178.44 179.73 3fzj h TYR 247 N 0.95 1.12 0.00 1.25 3.20 -0.75 -2.16 116.97 120.58 3fzj h TYR 247 Ca 0.16 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3fzj h TYR 247 Cb 0.62 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 3fzj h TYR 247 CO 0.04 0.65 -0.44 0.93 -1.64 0.00 0.00 178.16 177.70 3fzj h GLU 248 N 1.16 0.00 -2.82 1.82 5.08 -0.89 -3.40 114.58 115.54 3fzj h GLU 248 Ca 0.36 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.12 3fzj h GLU 248 Cb -0.01 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.84 3fzj h GLU 248 CO -0.12 0.44 -0.73 1.03 -1.00 0.00 0.00 179.01 178.64 3fzj s ARG 249 N -3.18 1.82 0.24 2.33 0.52 -0.33 -5.03 118.95 115.32 3fzj s ARG 249 Ca 0.03 -2.81 -0.11 0.00 -0.52 0.00 0.00 55.73 52.32 3fzj s ARG 249 Cb 0.09 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 3fzj s ARG 249 CO 0.72 -1.31 0.43 0.54 0.02 0.00 0.00 175.30 175.70 3fzj s ASN 250 N -0.78 -0.04 0.00 0.23 2.20 -1.21 -4.70 114.94 110.64 3fzj s ASN 250 Ca 0.27 -1.00 0.28 0.00 -0.94 0.00 0.00 52.86 51.47 3fzj s ASN 250 Cb -0.03 0.56 1.37 0.00 -2.00 0.00 0.00 41.25 41.16 3fzj s ASN 250 CO -0.17 -1.11 1.95 0.00 -2.94 0.00 0.00 177.10 174.83 3fzj n ALA 251 N -0.37 2.37 -1.26 3.54 0.00 -1.26 -3.68 120.51 119.84 3fzj n ALA 251 Ca -0.01 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.39 3fzj n ALA 251 Cb 0.62 -1.45 0.15 0.00 0.00 0.00 0.00 19.45 18.77 3fzj n ALA 251 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fzj n PHE 252 N -1.31 0.00 -0.23 0.00 3.72 -1.26 -4.85 117.46 113.53 3fzj n PHE 252 Ca 0.12 -1.06 0.03 0.00 -0.05 0.00 0.00 57.45 56.50 3fzj n PHE 252 Cb 0.23 -0.17 0.14 0.00 -0.94 0.00 0.00 39.48 38.75 3fzj n PHE 252 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3fzj h LYS 253 N 0.25 0.17 0.00 -1.08 1.57 -1.90 -0.77 116.57 114.81 3fzj h LYS 253 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3fzj h LYS 253 Cb 1.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3fzj h LYS 253 CO 0.00 0.11 0.00 -0.44 -0.57 0.00 0.00 179.45 178.55 3fzj h ASP 254 N 0.18 0.00 -0.29 0.86 5.19 -1.92 -2.62 116.42 117.82 3fzj h ASP 254 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3fzj h ASP 254 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3fzj h ASP 254 CO -0.54 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 175.58 3fzj n GLN 255 N -2.44 2.13 -4.27 3.56 6.02 -0.31 -4.89 117.38 117.19 3fzj n GLN 255 Ca -0.00 -1.91 -0.19 0.00 -0.01 0.00 0.00 57.00 54.89 3fzj n GLN 255 Cb 0.12 -1.33 -0.11 0.00 1.02 0.00 0.00 30.24 29.94 3fzj n GLN 255 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fzj s LEU 256 N -1.10 2.40 -0.08 1.08 1.43 -0.99 -0.55 118.68 120.88 3fzj s LEU 256 Ca 0.26 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.49 3fzj s LEU 256 Cb 0.15 -0.65 0.02 0.00 0.03 0.00 0.00 46.19 45.74 3fzj s LEU 256 CO 0.20 -0.10 0.19 0.00 0.23 0.00 0.00 176.35 176.88 3fzj s SER 258 N 0.35 7.18 -0.04 0.00 1.04 -1.26 -1.71 113.70 119.26 3fzj s SER 258 Ca -0.02 1.88 -0.28 0.00 0.48 0.00 0.00 55.95 58.02 3fzj s SER 258 Cb -0.03 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 3fzj s SER 258 CO -0.01 -0.18 0.88 -0.63 0.98 0.00 0.00 173.24 174.28 3fzj s ILE 259 N -1.65 4.92 -1.33 -1.02 -1.09 -0.10 -4.93 121.20 116.00 3fzj s ILE 259 Ca 0.53 1.84 -0.09 0.00 -2.23 0.00 0.00 60.65 60.69 3fzj s ILE 259 Cb -0.19 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.37 3fzj s ILE 259 CO 0.24 0.16 3.02 -0.81 -1.23 0.00 0.00 174.94 176.33 3fzj n PRO 260 N 4.06 3.50 -2.09 2.79 -0.04 -1.22 -4.74 135.00 137.25 3fzj n PRO 260 Ca 0.04 -2.12 -0.41 0.00 -0.04 0.00 0.00 63.50 60.97 3fzj n PRO 260 Cb 0.51 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 3fzj n PRO 260 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3fzj s LEU 261 N -0.09 4.40 -0.06 1.53 1.43 -1.25 -4.47 118.68 120.16 3fzj s LEU 261 Ca 0.68 2.71 0.18 0.00 -1.03 0.00 0.00 54.13 56.67 3fzj s LEU 261 Cb 0.21 -3.67 0.60 0.00 0.03 0.00 0.00 46.19 43.35 3fzj s LEU 261 CO -0.06 -0.58 1.51 0.00 0.23 0.00 0.00 176.35 177.45 3fzj n GLN 262 N 0.71 3.21 -3.46 1.70 6.02 0.13 -4.86 117.38 120.82 3fzj n GLN 262 Ca 0.00 -2.65 -0.37 0.00 -0.01 0.00 0.00 57.00 53.98 3fzj n GLN 262 Cb 0.42 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 3fzj n GLN 262 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fzj s ASP 263 N -1.04 6.49 0.31 1.08 1.01 -1.25 -5.04 116.67 118.23 3fzj s ASP 263 Ca 0.44 0.58 -0.29 0.00 0.71 0.00 0.00 52.55 53.99 3fzj s ASP 263 Cb 0.27 -2.21 -0.10 0.00 1.01 0.00 0.00 42.92 41.88 3fzj s ASP 263 CO 0.24 0.05 1.30 0.00 0.21 0.00 0.00 175.17 176.97 3fzj s ALA 264 N 0.63 3.50 0.25 5.23 0.00 -1.26 -4.96 121.76 125.15 3fzj s ALA 264 Ca 0.19 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.44 3fzj s ALA 264 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3fzj s ALA 264 CO 0.06 -0.59 0.10 -0.51 0.00 0.00 0.00 175.76 174.82 3fzj s LEU 265 N -1.48 3.52 0.95 0.00 1.43 -1.26 -5.12 118.68 116.72 3fzj s LEU 265 Ca 0.50 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3fzj s LEU 265 Cb -0.39 -2.05 0.16 0.00 0.03 0.00 0.00 46.19 43.94 3fzj s LEU 265 CO 0.49 -0.01 1.09 -2.16 0.23 0.00 0.00 176.35 175.99 3fzj s PRO 266 N -3.72 0.79 -0.50 1.29 0.04 -1.26 -4.88 135.00 126.77 3fzj s PRO 266 Ca 0.32 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3fzj s PRO 266 Cb -0.07 -1.74 0.14 0.00 0.04 0.00 0.00 34.50 32.86 3fzj s PRO 266 CO 0.22 -2.61 0.29 -0.80 0.04 0.00 0.00 177.00 174.14 3fzj s ASN 267 N -3.08 3.90 0.33 6.66 0.01 -1.26 -3.54 114.94 117.95 3fzj s ASN 267 Ca 0.65 -2.94 -0.29 0.00 -0.71 0.00 0.00 52.86 49.57 3fzj s ASN 267 Cb -0.20 -1.27 -0.10 0.00 0.41 0.00 0.00 41.25 40.08 3fzj s ASN 267 CO 0.59 -0.22 1.39 -2.84 -1.51 0.00 0.00 177.10 174.51 3fzj s PRO 268 N -0.11 4.26 -0.09 -0.60 0.02 -1.25 -4.55 135.00 132.67 3fzj s PRO 268 Ca 0.19 2.35 -0.23 0.00 0.02 0.00 0.00 61.00 63.34 3fzj s PRO 268 Cb -0.21 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 3fzj s PRO 268 CO -0.03 -0.35 0.67 0.99 -0.33 0.00 0.00 177.00 177.95 3fzj s THR 269 N -0.90 5.06 -0.08 0.99 2.01 -1.26 -0.78 115.64 120.67 3fzj s THR 269 Ca 0.52 1.36 -0.16 0.00 0.31 0.00 0.00 61.69 63.72 3fzj s THR 269 Cb -0.42 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 3fzj s THR 269 CO 0.54 0.24 0.42 -0.63 -0.69 0.00 0.00 174.62 174.50 3fzj s ILE 270 N 0.95 5.15 0.24 1.82 -1.09 0.71 -2.84 121.20 126.14 3fzj s ILE 270 Ca 0.35 0.84 0.11 0.00 -2.23 0.00 0.00 60.65 59.72 3fzj s ILE 270 Cb -0.17 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 3fzj s ILE 270 CO 0.16 0.43 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.79 3fzj s TYR 271 N -0.00 2.17 -0.37 3.97 2.02 0.37 -0.33 117.35 125.17 3fzj s TYR 271 Ca 0.23 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 56.32 3fzj s TYR 271 Cb -0.15 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3fzj s TYR 271 CO 0.10 0.59 0.76 0.08 -1.57 0.00 0.00 175.55 175.51 3fzj s VAL 272 N -2.36 4.75 -0.12 0.71 1.01 0.67 -1.19 120.40 123.87 3fzj s VAL 272 Ca 0.26 0.78 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 3fzj s VAL 272 Cb -0.05 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3fzj s VAL 272 CO 0.12 -0.45 0.03 -0.76 0.00 0.00 0.00 175.10 174.03 3fzj s LEU 273 N 3.06 3.67 0.16 3.92 1.43 0.73 -1.20 118.68 130.46 3fzj s LEU 273 Ca 0.30 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3fzj s LEU 273 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3fzj s LEU 273 CO 0.17 0.30 0.15 -0.13 0.23 0.00 0.00 176.35 177.07 3fzj s ARG 274 N -0.40 1.08 -0.24 1.70 0.52 -0.72 -1.25 118.95 119.64 3fzj s ARG 274 Ca 0.08 -1.42 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 3fzj s ARG 274 Cb -0.12 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.64 3fzj s ARG 274 CO 0.02 -0.35 1.14 0.50 0.02 0.00 0.00 175.30 176.63 3fzj s ARG 275 N -4.06 4.17 0.23 3.54 3.52 -1.26 -0.72 118.95 124.38 3fzj s ARG 275 Ca 0.26 1.38 -0.08 0.00 -0.13 0.00 0.00 55.73 57.17 3fzj s ARG 275 Cb 0.06 -3.72 0.23 0.00 -1.56 0.00 0.00 34.95 29.95 3fzj s ARG 275 CO 0.05 -0.76 1.89 1.25 -0.81 0.00 0.00 175.30 176.91 3fzj h HIS 276 N 8.01 1.06 0.00 5.12 -0.00 -1.41 -2.78 115.15 125.15 3fzj h HIS 276 Ca -0.22 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 3fzj h HIS 276 Cb 1.08 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3fzj h HIS 276 CO 0.80 0.64 0.00 -0.40 -0.00 0.00 0.00 177.93 178.96 3fzj n ASP 277 N -4.52 0.00 -4.70 3.26 5.68 -1.26 -4.72 116.55 110.29 3fzj n ASP 277 Ca 0.10 -0.24 -0.40 0.00 -0.50 0.00 0.00 54.79 53.74 3fzj n ASP 277 Cb 0.05 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 39.75 3fzj n ASP 277 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3fzj s LEU 278 N -2.48 4.28 -0.02 -2.12 1.43 -1.05 -5.02 118.68 113.70 3fzj s LEU 278 Ca 0.29 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.29 3fzj s LEU 278 Cb 0.19 -3.14 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3fzj s LEU 278 CO 0.41 -0.19 1.36 -2.16 0.23 0.00 0.00 176.35 176.00 3fzj s PRO 279 N 1.15 4.29 0.19 1.29 0.04 -1.26 -4.95 135.00 135.75 3fzj s PRO 279 Ca 0.38 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 3fzj s PRO 279 Cb -0.18 -3.59 -0.09 0.00 0.04 0.00 0.00 34.50 30.68 3fzj s PRO 279 CO 0.17 -0.57 1.34 0.54 0.04 0.00 0.00 177.00 178.53 3fzj s VAL 280 N 2.47 3.15 0.54 -0.36 0.11 -1.26 -4.99 120.40 120.06 3fzj s VAL 280 Ca 0.62 0.92 -0.19 0.00 -2.93 0.00 0.00 61.98 60.40 3fzj s VAL 280 Cb -0.30 -3.59 -0.06 0.00 -1.53 0.00 0.00 36.38 30.91 3fzj s VAL 280 CO 0.25 0.13 1.11 0.42 -3.33 0.00 0.00 175.10 173.68 3fzj s THR 281 N 0.29 3.28 0.26 5.04 -4.23 -1.26 -4.85 115.64 114.16 3fzj s THR 281 Ca 0.59 0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 61.86 3fzj s THR 281 Cb -0.37 -3.31 0.24 0.00 1.34 0.00 0.00 72.50 70.40 3fzj s THR 281 CO 0.37 -0.19 1.76 -0.65 -0.54 0.00 0.00 174.62 175.38 3fzj h PRO 282 N 1.17 0.59 -0.28 3.99 0.11 -1.94 -0.83 132.00 134.82 3fzj h PRO 282 Ca -0.50 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3fzj h PRO 282 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3fzj h PRO 282 CO 0.57 0.39 0.13 0.00 -0.21 0.00 0.00 178.00 178.88 3fzj h ALA 283 N 1.55 0.36 -0.72 -0.75 0.00 -1.96 -1.81 119.26 115.94 3fzj h ALA 283 Ca 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3fzj h ALA 283 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3fzj h ALA 283 CO -0.36 -0.07 0.39 0.00 0.00 0.00 0.00 179.25 179.21 3fzj h ALA 284 N 0.98 0.92 -1.00 0.00 0.00 -1.80 -1.23 119.26 117.14 3fzj h ALA 284 Ca 0.10 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3fzj h ALA 284 Cb 0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3fzj h ALA 284 CO -0.01 0.44 0.65 0.00 0.00 0.00 0.00 179.25 180.33 3fzj h ALA 285 N 1.20 1.37 -0.54 0.00 0.00 -0.99 -0.56 119.26 119.73 3fzj h ALA 285 Ca 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3fzj h ALA 285 Cb 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3fzj h ALA 285 CO -0.04 0.52 0.09 0.78 0.00 0.00 0.00 179.25 180.59 3fzj h GLY 286 N 1.23 0.96 0.97 0.00 0.00 -0.58 -0.59 103.07 105.06 3fzj h GLY 286 Ca 0.41 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3fzj h GLY 286 CO -0.14 0.60 0.08 -2.00 0.00 0.00 0.00 176.54 175.07 3fzj h LEU 287 N 0.78 0.74 -0.76 3.11 5.85 -0.81 -2.39 115.31 121.83 3fzj h LEU 287 Ca 0.16 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3fzj h LEU 287 Cb 0.41 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3fzj h LEU 287 CO 0.01 0.81 0.50 0.40 -0.34 0.00 0.00 178.44 179.82 3fzj h ILE 288 N 0.63 1.20 -0.65 4.05 2.04 -0.88 -1.06 117.51 122.84 3fzj h ILE 288 Ca 0.14 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.73 3fzj h ILE 288 Cb 0.38 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 3fzj h ILE 288 CO 0.01 0.19 0.29 -0.09 0.00 0.00 0.00 178.15 178.54 3fzj h ARG 289 N 1.02 0.49 -0.41 2.37 2.43 -0.89 -0.37 114.38 119.03 3fzj h ARG 289 Ca 0.28 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3fzj h ARG 289 Cb -0.11 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 3fzj h ARG 289 CO -0.06 0.32 -0.24 -1.49 -1.51 0.00 0.00 179.97 177.00 3fzj h TRP 290 N 0.50 0.94 -0.25 2.20 4.06 -0.86 -1.30 115.95 121.25 3fzj h TRP 290 Ca 0.32 -0.22 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 3fzj h TRP 290 Cb 0.36 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 3fzj h TRP 290 CO -0.14 0.98 0.11 0.82 -3.56 0.00 0.00 178.44 176.65 3fzj h ILE 291 N 0.71 1.15 -0.77 1.49 2.04 -0.87 -2.21 117.51 119.06 3fzj h ILE 291 Ca 0.09 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3fzj h ILE 291 Cb 0.77 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 3fzj h ILE 291 CO 0.06 0.15 0.45 1.56 0.00 0.00 0.00 178.15 180.38 3fzj h GLN 292 N 0.26 0.79 -0.87 2.37 1.08 -0.94 -0.97 115.11 116.83 3fzj h GLN 292 Ca 0.08 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.28 3fzj h GLN 292 Cb 0.14 -0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 27.34 3fzj h GLN 292 CO -0.01 0.52 0.56 1.25 -0.95 0.00 0.00 178.83 180.20 3fzj h HIS 293 N 0.81 1.04 0.00 2.96 2.76 -0.99 -2.46 115.15 119.27 3fzj h HIS 293 Ca 0.35 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 3fzj h HIS 293 Cb 0.22 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.84 3fzj h HIS 293 CO -0.06 0.57 -0.52 0.72 -1.30 0.00 0.00 177.93 177.35 3fzj n HIS 294 N -4.56 0.28 -0.47 5.26 8.25 -0.85 -3.88 115.22 119.25 3fzj n HIS 294 Ca 0.12 0.08 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 3fzj n HIS 294 Cb 0.12 -0.47 0.09 0.00 1.12 0.00 0.00 29.99 30.85 3fzj n HIS 294 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fzj n ALA 295 N -1.66 4.57 -0.99 -1.41 0.00 -0.41 -4.63 120.51 115.98 3fzj n ALA 295 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.72 3fzj n ALA 295 Cb 0.39 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3fzj n ALA 295 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97