#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dby h TYR 6 N 0.00 1.12 -0.05 1.20 3.20 -1.94 -2.30 116.97 118.20 3dby h TYR 6 Ca 0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3dby h TYR 6 Cb 0.00 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 37.93 3dby h TYR 6 CO 0.00 0.85 -0.01 1.49 -1.64 0.00 0.00 178.16 178.85 3dby h GLU 7 N 1.08 0.09 -0.23 1.82 4.57 -1.99 0.49 114.58 120.41 3dby h GLU 7 Ca 0.25 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3dby h GLU 7 Cb 0.20 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3dby h GLU 7 CO -0.02 0.42 0.06 0.93 -1.18 0.00 0.00 179.01 179.22 3dby h GLU 8 N -0.25 0.36 0.16 1.92 5.08 -1.99 -1.19 114.58 118.67 3dby h GLU 8 Ca 0.01 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3dby h GLU 8 Cb 0.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3dby h GLU 8 CO 0.00 0.46 -0.08 1.03 -1.00 0.00 0.00 179.01 179.43 3dby h SER 9 N 0.19 -0.19 -0.55 1.42 0.87 -1.35 -1.74 113.55 112.20 3dby h SER 9 Ca 0.07 -0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 3dby h SER 9 Cb 0.26 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.19 3dby h SER 9 CO -0.00 -0.12 0.10 0.00 -0.53 0.00 0.00 176.83 176.28 3dby h ALA 10 N 0.60 0.63 -0.36 6.23 0.00 -0.80 -1.03 119.26 124.53 3dby h ALA 10 Ca -0.02 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dby h ALA 10 Cb 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3dby h ALA 10 CO 0.04 -0.32 0.21 1.25 0.00 0.00 0.00 179.25 180.43 3dby h LEU 11 N 0.23 0.44 -0.26 0.00 5.85 -1.07 -1.21 115.31 119.30 3dby h LEU 11 Ca 0.29 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3dby h LEU 11 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3dby h LEU 11 CO -0.38 0.38 0.09 0.15 -0.34 0.00 0.00 178.44 178.33 3dby h PHE 12 N 0.47 0.42 -0.02 1.25 3.57 -0.90 0.95 116.94 122.68 3dby h PHE 12 Ca 0.13 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 12 Cb 0.02 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 3dby h PHE 12 CO -0.03 0.45 0.01 0.93 -2.23 0.00 0.00 178.31 177.43 3dby h GLU 13 N 0.27 0.03 -0.40 1.11 4.39 -1.02 -1.30 114.58 117.65 3dby h GLU 13 Ca 0.09 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.81 3dby h GLU 13 Cb 0.22 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3dby h GLU 13 CO -0.00 0.21 0.20 0.45 -1.16 0.00 0.00 179.01 178.71 3dby h HIS 14 N -0.15 0.38 -0.30 4.33 3.86 -1.19 0.11 115.15 122.19 3dby h HIS 14 Ca 0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3dby h HIS 14 Cb 0.19 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3dby h HIS 14 CO -0.01 0.20 0.13 1.96 0.86 0.00 0.00 177.93 181.07 3dby h GLN 15 N 0.42 0.43 0.51 2.45 4.20 -0.65 0.24 115.11 122.71 3dby h GLN 15 Ca 0.17 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3dby h GLN 15 Cb 0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3dby h GLN 15 CO -0.12 0.43 -0.36 0.35 -0.67 0.00 0.00 178.83 178.47 3dby h PHE 16 N 0.34 -0.95 -0.23 2.96 3.57 -1.10 -3.07 116.94 118.46 3dby h PHE 16 Ca 0.10 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 3dby h PHE 16 Cb 0.15 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3dby h PHE 16 CO -0.01 -0.53 -0.41 -1.49 -2.23 0.00 0.00 178.31 173.63 3dby h TRP 17 N -0.84 0.66 -0.05 0.41 4.06 -0.69 -2.45 115.95 117.06 3dby h TRP 17 Ca -0.06 -0.19 -0.15 0.00 2.06 0.00 0.00 58.89 60.56 3dby h TRP 17 Cb 0.70 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 3dby h TRP 17 CO -0.13 0.88 -0.63 -0.07 -3.56 0.00 0.00 178.44 174.93 3dby h LEU 18 N 0.45 0.21 -0.45 -4.49 3.38 -0.61 -1.03 115.31 112.76 3dby h LEU 18 Ca 0.04 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3dby h LEU 18 Cb 0.91 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3dby h LEU 18 CO 0.08 0.78 0.10 0.50 0.09 0.00 0.00 178.44 179.99 3dby h LYS 19 N 0.13 0.73 -0.61 1.13 3.64 -1.49 -0.34 116.57 119.77 3dby h LYS 19 Ca -0.01 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3dby h LYS 19 Cb 1.14 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 3dby h LYS 19 CO 0.09 0.74 0.35 0.28 -2.27 0.00 0.00 179.45 178.65 3dby h VAL 20 N 0.61 1.03 -0.13 2.00 2.07 -1.33 0.19 116.25 120.69 3dby h VAL 20 Ca 0.14 -0.24 -0.16 0.00 0.82 0.00 0.00 66.70 67.27 3dby h VAL 20 Cb 0.34 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3dby h VAL 20 CO 0.00 0.13 -0.58 -0.07 0.02 0.00 0.00 177.57 177.06 3dby h LEU 21 N 0.69 0.46 -0.47 2.57 3.38 -1.15 -0.60 115.31 120.19 3dby h LEU 21 Ca 0.25 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 21 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3dby h LEU 21 CO -0.13 0.94 0.29 0.74 0.09 0.00 0.00 178.44 180.37 3dby h THR 22 N 0.31 1.14 -0.18 0.22 2.02 -0.73 -2.26 112.91 113.42 3dby h THR 22 Ca -0.00 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 66.92 3dby h THR 22 Cb 1.11 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3dby h THR 22 CO 0.10 0.14 -0.09 0.44 0.37 0.00 0.00 175.52 176.49 3dby h ASP 23 N 0.63 -0.29 -0.38 4.18 3.45 -0.72 -1.83 116.42 121.46 3dby h ASP 23 Ca 0.17 0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.76 3dby h ASP 23 Cb -0.02 0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.85 3dby h ASP 23 CO -0.03 -0.11 0.07 0.45 -1.57 0.00 0.00 179.24 178.04 3dby h HIS 24 N -0.07 0.11 -0.65 4.55 3.86 -0.95 0.38 115.15 122.38 3dby h HIS 24 Ca 0.10 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3dby h HIS 24 Cb 0.21 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 3dby h HIS 24 CO -0.24 0.01 0.40 0.00 0.86 0.00 0.00 177.93 178.96 3dby h ALA 25 N 1.29 0.83 -0.65 2.45 0.00 -1.22 -0.06 119.26 121.89 3dby h ALA 25 Ca 0.18 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 25 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dby h ALA 25 CO -0.25 0.30 0.10 0.37 0.00 0.00 0.00 179.25 179.77 3dby h GLN 26 N 0.89 1.09 -0.34 0.00 5.75 -0.81 -0.99 115.11 120.70 3dby h GLN 26 Ca 0.23 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3dby h GLN 26 Cb -0.04 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 3dby h GLN 26 CO -0.05 1.00 -0.02 0.74 -2.65 0.00 0.00 178.83 177.86 3dby h PHE 27 N 1.01 0.67 -0.54 3.99 0.04 0.16 -1.91 116.94 120.36 3dby h PHE 27 Ca 0.20 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3dby h PHE 27 Cb 0.45 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 3dby h PHE 27 CO 0.03 0.74 0.34 -0.07 -0.60 0.00 0.00 178.31 178.75 3dby h LEU 28 N 0.41 0.65 -0.05 1.54 3.38 -0.99 -1.48 115.31 118.77 3dby h LEU 28 Ca 0.09 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 28 Cb 0.49 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3dby h LEU 28 CO 0.02 0.50 -0.24 0.25 0.09 0.00 0.00 178.44 179.06 3dby h LEU 29 N 0.73 -0.73 -1.75 1.67 5.85 -1.00 -2.25 115.31 117.83 3dby h LEU 29 Ca 0.20 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3dby h LEU 29 Cb -0.03 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dby h LEU 29 CO -0.04 -0.30 -0.12 0.44 -0.34 0.00 0.00 178.44 178.08 3dby h ASP 30 N -0.35 0.00 1.29 1.25 3.45 -1.03 -3.08 116.42 117.95 3dby h ASP 30 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3dby h ASP 30 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3dby h ASP 30 CO -0.25 0.12 -0.54 0.00 -1.57 0.00 0.00 179.24 176.99 3dby h ALA 31 N 1.88 0.70 -2.81 3.45 0.00 -0.95 -3.47 119.26 118.07 3dby h ALA 31 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3dby h ALA 31 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.26 3dby h ALA 31 CO 0.02 0.00 0.55 -0.51 0.00 0.00 0.00 179.25 179.31 3dby s LEU 32 N -5.25 4.49 0.38 0.00 1.43 -0.88 -0.15 118.68 118.70 3dby s LEU 32 Ca 0.04 2.42 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3dby s LEU 32 Cb 0.09 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.57 3dby s LEU 32 CO 0.72 -0.33 1.50 0.00 0.23 0.00 0.00 176.35 178.47 3dby s ALA 33 N -0.95 3.58 0.47 4.21 0.00 -0.83 -4.89 121.76 123.34 3dby s ALA 33 Ca 0.48 1.59 0.31 0.00 0.00 0.00 0.00 51.96 54.34 3dby s ALA 33 Cb -0.35 -3.62 1.41 0.00 0.00 0.00 0.00 23.12 20.56 3dby s ALA 33 CO 0.45 -1.07 1.70 -1.35 0.00 0.00 0.00 175.76 175.49 3dby h PRO 34 N 3.03 0.13 0.00 0.00 0.11 -1.94 0.47 132.00 133.80 3dby h PRO 34 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3dby h PRO 34 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dby h PRO 34 CO 0.64 0.09 0.00 0.36 -0.21 0.00 0.00 178.00 178.88 3dby n LYS 35 N -4.45 0.07 -1.76 1.05 2.85 -1.26 -4.12 118.16 110.54 3dby n LYS 35 Ca 0.32 0.41 -0.35 0.00 -1.05 0.00 0.00 58.31 57.64 3dby n LYS 35 Cb 1.31 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.99 3dby n LYS 35 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3dby n GLU 36 N -1.81 3.83 -0.23 -1.58 -0.58 0.15 -4.77 120.64 115.66 3dby n GLU 36 Ca 0.02 -2.96 0.03 0.00 -0.42 0.00 0.00 57.16 53.83 3dby n GLU 36 Cb 0.12 -2.49 0.15 0.00 -0.57 0.00 0.00 31.44 28.66 3dby n GLU 36 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 37 N 4.13 0.29 -0.49 3.49 1.79 -1.84 -1.82 116.57 122.13 3dby h LYS 37 Ca 0.61 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 59.00 3dby h LYS 37 Cb 0.47 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3dby h LYS 37 CO 1.28 0.19 0.05 0.93 -1.08 0.00 0.00 179.45 180.83 3dby h GLU 38 N 0.30 0.83 0.00 3.15 4.39 -1.96 -2.04 114.58 119.25 3dby h GLU 38 Ca 0.37 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 3dby h GLU 38 Cb 0.57 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3dby h GLU 38 CO -0.44 0.84 -0.48 -0.44 -1.16 0.00 0.00 179.01 177.33 3dby h ASP 39 N 0.69 0.00 -0.59 1.42 3.32 -1.90 -2.25 116.42 117.12 3dby h ASP 39 Ca 0.14 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3dby h ASP 39 Cb 0.44 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3dby h ASP 39 CO 0.02 0.48 0.19 0.40 -1.72 0.00 0.00 179.24 178.61 3dby h ILE 40 N 0.00 1.24 -0.44 0.35 2.04 -1.07 0.13 117.51 119.76 3dby h ILE 40 Ca -0.00 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 3dby h ILE 40 Cb 0.94 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3dby h ILE 40 CO 0.06 0.31 -0.02 0.50 0.00 0.00 0.00 178.15 179.00 3dby h LYS 41 N 0.83 0.79 -0.40 2.37 3.11 -1.31 0.17 116.57 122.14 3dby h LYS 41 Ca 0.19 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 3dby h LYS 41 Cb 0.27 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 3dby h LYS 41 CO -0.01 0.87 0.26 0.87 -2.81 0.00 0.00 179.45 178.63 3dby h LYS 42 N 0.63 0.52 -0.73 1.90 1.57 -1.18 -1.52 116.57 117.77 3dby h LYS 42 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3dby h LYS 42 Cb 0.52 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 3dby h LYS 42 CO 0.03 0.35 0.22 0.00 -0.57 0.00 0.00 179.45 179.47 3dby h ALA 43 N 1.15 0.95 -0.35 3.86 0.00 -0.34 -0.87 119.26 123.66 3dby h ALA 43 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dby h ALA 43 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3dby h ALA 43 CO -0.03 0.65 0.22 1.15 0.00 0.00 0.00 179.25 181.24 3dby h THR 44 N 1.08 1.10 -0.49 0.00 2.02 -0.58 -0.21 112.91 115.83 3dby h THR 44 Ca 0.23 -0.21 0.09 0.00 0.77 0.00 0.00 66.41 67.29 3dby h THR 44 Cb 0.32 0.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 3dby h THR 44 CO -0.01 0.10 0.02 0.22 0.37 0.00 0.00 175.52 176.22 3dby h TYR 45 N 0.46 0.00 -0.65 3.16 3.20 -0.93 -1.54 116.97 120.67 3dby h TYR 45 Ca 0.13 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3dby h TYR 45 Cb -0.03 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3dby h TYR 45 CO -0.05 -0.09 0.25 0.74 -1.64 0.00 0.00 178.16 177.37 3dby h PHE 46 N 0.14 0.97 0.26 -3.82 0.04 -0.69 0.87 116.94 114.71 3dby h PHE 46 Ca 0.25 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3dby h PHE 46 Cb 0.37 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3dby h PHE 46 CO -0.29 0.75 -0.12 0.28 -0.60 0.00 0.00 178.31 178.32 3dby h VAL 47 N 0.94 0.76 -0.24 -0.55 2.07 -0.42 -1.37 116.25 117.44 3dby h VAL 47 Ca 0.22 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3dby h VAL 47 Cb 0.20 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3dby h VAL 47 CO -0.02 0.02 0.13 -0.33 0.02 0.00 0.00 177.57 177.39 3dby h GLU 48 N -0.39 0.26 -0.34 1.57 4.39 -1.15 -1.65 114.58 117.27 3dby h GLU 48 Ca -0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3dby h GLU 48 Cb 0.30 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3dby h GLU 48 CO 0.06 0.17 0.11 1.15 -1.16 0.00 0.00 179.01 179.34 3dby h THR 49 N 0.27 0.89 0.06 1.13 2.02 -0.64 -1.67 112.91 114.97 3dby h THR 49 Ca 0.09 -0.09 -0.24 0.00 0.77 0.00 0.00 66.41 66.95 3dby h THR 49 Cb 0.01 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3dby h THR 49 CO -0.05 0.05 -1.09 -0.26 0.37 0.00 0.00 175.52 174.54 3dby h PHE 50 N 0.25 0.31 -0.58 3.16 0.04 -1.22 -2.08 116.94 116.81 3dby h PHE 50 Ca 0.16 -0.21 0.08 0.00 2.80 0.00 0.00 57.97 60.80 3dby h PHE 50 Cb 0.14 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 3dby h PHE 50 CO -0.15 1.13 0.24 1.15 -0.60 0.00 0.00 178.31 180.08 3dby h THR 51 N 0.06 0.82 0.04 -1.55 2.02 -1.16 -0.16 112.91 112.99 3dby h THR 51 Ca -0.08 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 3dby h THR 51 Cb 1.80 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3dby h THR 51 CO 0.17 0.08 -0.02 0.78 0.37 0.00 0.00 175.52 176.90 3dby h ASN 52 N 0.44 -0.05 -0.89 4.18 -0.26 -1.24 -1.69 115.58 116.07 3dby h ASN 52 Ca 0.28 -0.33 0.22 0.00 -0.56 0.00 0.00 56.30 55.91 3dby h ASN 52 Cb 0.31 0.01 -0.13 0.00 -1.06 0.00 0.00 38.32 37.45 3dby h ASN 52 CO -0.26 0.31 0.37 -0.07 -1.06 0.00 0.00 177.43 176.72 3dby h LEU 53 N -0.41 0.29 -0.50 1.61 4.07 -1.28 -2.42 115.31 116.66 3dby h LEU 53 Ca -0.01 0.16 -0.16 0.00 0.08 0.00 0.00 57.88 57.95 3dby h LEU 53 Cb 0.37 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3dby h LEU 53 CO 0.01 -0.02 -0.55 0.25 -1.08 0.00 0.00 178.44 177.05 3dby h LEU 54 N 0.37 0.64 -0.99 1.67 5.85 -0.84 -3.03 115.31 118.99 3dby h LEU 54 Ca 0.56 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3dby h LEU 54 Cb 1.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3dby h LEU 54 CO -0.54 1.06 0.03 0.78 -0.34 0.00 0.00 178.44 179.43 3dby h ASN 55 N 0.44 0.72 -0.70 1.25 2.35 -0.86 -3.11 115.58 115.68 3dby h ASN 55 Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 3dby h ASN 55 Cb 1.09 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3dby h ASN 55 CO 0.10 0.77 0.00 2.29 -1.65 0.00 0.00 177.43 178.95 3dby n LYS 56 N -4.24 2.69 -0.17 0.81 2.85 -0.95 -4.53 118.16 114.63 3dby n LYS 56 Ca 0.03 -2.55 -0.07 0.00 -1.05 0.00 0.00 58.31 54.67 3dby n LYS 56 Cb 0.28 -1.57 0.08 0.00 -0.65 0.00 0.00 35.03 33.17 3dby n LYS 56 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 3dby h VAL 57 N 4.10 1.26 0.00 0.58 3.04 -1.45 -2.22 116.25 121.56 3dby h VAL 57 Ca 0.00 -1.11 -0.02 0.00 -1.01 0.00 0.00 66.70 64.56 3dby h VAL 57 Cb 0.97 0.84 -0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3dby h VAL 57 CO 0.02 0.40 -0.09 0.03 -1.01 0.00 0.00 177.57 176.92 3dby h ARG 58 N 0.88 0.00 -0.67 4.17 3.08 -1.82 -3.34 114.38 116.69 3dby h ARG 58 Ca 0.16 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.85 3dby h ARG 58 Cb 0.53 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.37 3dby h ARG 58 CO 0.03 0.09 0.24 0.09 -1.07 0.00 0.00 179.97 179.34 3dby n ASN 59 N -3.26 3.42 -3.77 7.04 5.03 -0.83 -5.01 115.26 117.88 3dby n ASN 59 Ca -0.00 -3.73 -0.11 0.00 0.87 0.00 0.00 54.58 51.61 3dby n ASN 59 Cb 0.31 -0.73 -0.06 0.00 -1.02 0.00 0.00 39.78 38.29 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3dby s VAL 60 N -3.44 0.00 -0.36 2.41 -7.23 -1.25 -5.09 120.40 105.44 3dby s VAL 60 Ca 0.51 -1.56 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 3dby s VAL 60 Cb 0.44 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.99 3dby s VAL 60 CO 0.04 0.00 1.23 0.21 -0.31 0.00 0.00 175.10 176.27 3dby s ASN 61 N -3.11 6.67 0.25 4.85 2.47 -1.26 -4.93 114.94 119.88 3dby s ASN 61 Ca 0.28 0.94 -0.05 0.00 0.42 0.00 0.00 52.86 54.45 3dby s ASN 61 Cb 0.01 -2.54 0.29 0.00 -1.45 0.00 0.00 41.25 37.56 3dby s ASN 61 CO 0.13 -1.13 1.85 -0.07 -3.72 0.00 0.00 177.10 174.17 3dby h LEU 62 N 10.98 1.00 -0.55 3.21 3.38 -1.98 0.30 115.31 131.65 3dby h LEU 62 Ca -0.24 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3dby h LEU 62 Cb 1.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3dby h LEU 62 CO 1.06 0.84 0.21 0.24 0.09 0.00 0.00 178.44 180.89 3dby h MET 63 N 1.10 0.83 -0.29 1.13 2.86 -1.91 -0.91 114.93 117.74 3dby h MET 63 Ca 0.27 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3dby h MET 63 Cb 0.11 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3dby h MET 63 CO -0.03 0.73 -0.17 0.00 1.06 0.00 0.00 176.91 178.50 3dby h ALA 64 N 1.06 0.41 -0.72 6.32 0.00 -1.74 -3.00 119.26 121.60 3dby h ALA 64 Ca 0.18 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 64 Cb 0.21 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3dby h ALA 64 CO -0.01 0.33 0.36 0.35 0.00 0.00 0.00 179.25 180.27 3dby h PHE 65 N 0.38 0.64 -0.98 0.00 3.57 -0.30 -1.58 116.94 118.66 3dby h PHE 65 Ca 0.06 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.81 3dby h PHE 65 Cb 0.70 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.17 3dby h PHE 65 CO 0.06 0.22 0.62 0.77 -2.23 0.00 0.00 178.31 177.76 3dby h SER 66 N 0.60 0.55 0.49 0.41 0.02 -1.02 0.17 113.55 114.77 3dby h SER 66 Ca 0.36 0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 61.20 3dby h SER 66 Cb 0.39 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3dby h SER 66 CO -0.28 0.18 -0.77 0.11 -1.14 0.00 0.00 176.83 174.94 3dby h LYS 67 N 0.53 0.22 0.50 3.45 1.57 -1.28 -1.60 116.57 119.96 3dby h LYS 67 Ca 0.54 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 3dby h LYS 67 Cb 1.17 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3dby h LYS 67 CO -0.28 0.88 -0.24 1.49 -0.57 0.00 0.00 179.45 180.73 3dby h GLU 68 N 0.14 -0.65 -0.89 3.15 4.81 -0.57 -2.56 114.58 118.01 3dby h GLU 68 Ca -0.03 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.45 3dby h GLU 68 Cb 1.35 0.15 -0.17 0.00 0.63 0.00 0.00 28.75 30.71 3dby h GLU 68 CO 0.12 -0.35 -0.10 0.00 -0.73 0.00 0.00 179.01 177.95 3dby h ALA 69 N -0.55 0.81 -0.49 2.92 0.00 -1.24 -1.53 119.26 119.17 3dby h ALA 69 Ca -0.07 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3dby h ALA 69 Cb 0.60 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3dby h ALA 69 CO 0.11 -0.45 0.25 1.49 0.00 0.00 0.00 179.25 180.65 3dby h GLU 70 N 0.03 0.69 -0.41 0.00 4.81 -1.20 0.15 114.58 118.64 3dby h GLU 70 Ca 0.48 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3dby h GLU 70 Cb 0.85 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3dby h GLU 70 CO -0.87 0.56 0.24 0.37 -0.73 0.00 0.00 179.01 178.58 3dby h GLN 71 N 0.64 0.46 -0.15 1.92 5.75 -0.88 -0.53 115.11 122.33 3dby h GLN 71 Ca 0.17 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 3dby h GLN 71 Cb 0.09 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3dby h GLN 71 CO -0.02 0.31 0.03 0.00 -2.65 0.00 0.00 178.83 176.49 3dby h ALA 72 N 1.18 0.20 -0.69 3.38 0.00 -0.79 -1.90 119.26 120.65 3dby h ALA 72 Ca 0.16 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.06 3dby h ALA 72 Cb 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.65 3dby h ALA 72 CO -0.08 -0.15 0.18 0.00 0.00 0.00 0.00 179.25 179.20 3dby h ALA 73 N 0.82 0.88 -0.42 0.00 0.00 -0.63 -0.49 119.26 119.42 3dby h ALA 73 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3dby h ALA 73 Cb 0.28 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dby h ALA 73 CO 0.00 -0.30 0.04 0.87 0.00 0.00 0.00 179.25 179.86 3dby h LYS 74 N 0.30 0.66 -0.27 0.00 1.57 -0.79 -0.64 116.57 117.39 3dby h LYS 74 Ca 0.38 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 3dby h LYS 74 Cb 0.60 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dby h LYS 74 CO -0.45 0.65 -0.18 0.93 -0.57 0.00 0.00 179.45 179.83 3dby h GLU 75 N 0.63 0.61 -0.23 3.15 5.08 -0.53 -1.91 114.58 121.38 3dby h GLU 75 Ca 0.13 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3dby h GLU 75 Cb 0.34 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3dby h GLU 75 CO 0.01 0.87 -0.31 0.97 -1.00 0.00 0.00 179.01 179.55 3dby h ILE 76 N 0.34 1.28 -0.23 3.13 2.10 -0.98 -2.07 117.51 121.08 3dby h ILE 76 Ca 0.06 -1.38 0.06 0.00 1.08 0.00 0.00 64.86 64.67 3dby h ILE 76 Cb 0.72 1.45 -0.06 0.00 -1.09 0.00 0.00 36.82 37.84 3dby h ILE 76 CO 0.05 0.43 -0.16 -0.09 -1.08 0.00 0.00 178.15 177.31 3dby h ARG 77 N 0.40 -0.14 -0.11 2.19 2.43 -1.04 -0.76 114.38 117.35 3dby h ARG 77 Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3dby h ARG 77 Cb 0.75 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3dby h ARG 77 CO 0.06 -0.09 -0.05 0.00 -1.51 0.00 0.00 179.97 178.38 3dby h ALA 78 N 1.01 1.72 -0.11 2.80 0.00 -0.98 -1.14 119.26 122.56 3dby h ALA 78 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dby h ALA 78 Cb 0.34 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dby h ALA 78 CO -0.32 0.21 -0.08 0.35 0.00 0.00 0.00 179.25 179.41 3dby h PHE 79 N 0.16 0.29 -0.51 0.00 3.57 -0.74 -1.28 116.94 118.42 3dby h PHE 79 Ca 0.04 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.54 3dby h PHE 79 Cb 0.19 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 3dby h PHE 79 CO 0.00 0.63 0.12 0.87 -2.23 0.00 0.00 178.31 177.71 3dby h LYS 80 N -0.14 0.26 -0.35 1.11 1.57 -0.71 -0.44 116.57 117.87 3dby h LYS 80 Ca 0.02 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3dby h LYS 80 Cb 0.57 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dby h LYS 80 CO 0.02 0.17 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.72 3dby h LEU 81 N 0.27 0.77 -1.00 2.94 3.38 -1.04 -0.76 115.31 119.86 3dby h LEU 81 Ca 0.25 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 81 Cb 0.32 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3dby h LEU 81 CO -0.31 1.00 0.33 -1.13 0.09 0.00 0.00 178.44 178.43 3dby h ASN 82 N 0.64 0.95 0.18 -0.43 -1.24 -0.93 0.53 115.58 115.29 3dby h ASN 82 Ca 0.08 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 3dby h ASN 82 Cb 0.80 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.60 3dby h ASN 82 CO 0.07 0.82 -0.09 0.40 -1.29 0.00 0.00 177.43 177.34 3dby h ILE 83 N 1.04 0.83 -0.53 2.57 2.04 -0.39 -2.04 117.51 121.03 3dby h ILE 83 Ca 0.25 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 66.15 3dby h ILE 83 Cb 0.13 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 3dby h ILE 83 CO -0.03 0.01 0.14 0.40 0.00 0.00 0.00 178.15 178.67 3dby h ILE 84 N -0.27 0.73 -0.35 -0.67 2.04 -0.98 -1.11 117.51 116.90 3dby h ILE 84 Ca -0.03 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3dby h ILE 84 Cb 0.21 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3dby h ILE 84 CO 0.04 0.05 0.06 -0.61 0.00 0.00 0.00 178.15 177.70 3dby h GLN 85 N 0.29 0.18 -0.02 2.37 4.15 -0.75 -1.07 115.11 120.24 3dby h GLN 85 Ca 0.27 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.60 3dby h GLN 85 Cb 0.35 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3dby h GLN 85 CO -0.32 0.12 -0.34 0.87 -1.93 0.00 0.00 178.83 177.22 3dby h LYS 86 N 0.18 0.04 -0.00 1.69 1.57 -0.92 -2.09 116.57 117.05 3dby h LYS 86 Ca 0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dby h LYS 86 Cb 0.20 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3dby h LYS 86 CO -0.23 0.38 0.00 1.96 -0.57 0.00 0.00 179.45 180.99 3dby h GLN 87 N 0.04 0.00 0.00 3.15 4.20 -0.36 1.05 115.11 123.20 3dby h GLN 87 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dby h GLN 87 Cb 0.62 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3dby h GLN 87 CO 0.05 0.04 0.00 -0.07 -0.67 0.00 0.00 178.83 178.17 3dby h LEU 88 N -0.03 0.00 -2.59 1.46 3.38 -0.79 -1.87 115.31 114.87 3dby h LEU 88 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dby h LEU 88 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dby h LEU 88 CO -0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 3dby n GLU 89 N -2.52 2.45 -2.58 1.13 1.02 -0.82 -4.99 120.64 114.33 3dby n GLU 89 Ca -0.00 -1.98 -0.14 0.00 -0.02 0.00 0.00 57.16 55.02 3dby n GLU 89 Cb 0.16 -1.31 0.01 0.00 -0.02 0.00 0.00 31.44 30.28 3dby n GLU 89 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dby n GLY 90 N 0.71 -0.11 0.23 0.62 0.00 -0.08 -4.96 105.19 101.60 3dby n GLY 90 Ca 0.13 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3dby n GLY 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dby n LYS 91 N -2.66 1.76 -3.71 1.61 5.02 0.34 -4.99 118.16 115.55 3dby n LYS 91 Ca -0.10 -2.53 -0.14 0.00 -2.02 0.00 0.00 58.31 53.52 3dby n LYS 91 Cb 0.59 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 3dby n LYS 91 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dby s ILE 92 N -2.68 0.03 -0.32 -0.18 2.07 -1.25 -4.92 121.20 113.96 3dby s ILE 92 Ca 0.31 -0.27 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 3dby s ILE 92 Cb 0.26 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 42.17 3dby s ILE 92 CO 0.04 -0.15 0.14 -0.89 -1.91 0.00 0.00 174.94 172.17 3dby s THR 93 N -0.92 4.38 -0.01 4.00 2.01 -1.26 -4.84 115.64 119.00 3dby s THR 93 Ca -0.10 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 3dby s THR 93 Cb -0.04 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.19 3dby s THR 93 CO 0.04 0.01 0.14 -0.51 -0.69 0.00 0.00 174.62 173.62 3dby s ILE 94 N 1.56 0.07 -0.48 1.82 2.07 -1.26 -1.96 121.20 123.01 3dby s ILE 94 Ca 0.03 -0.54 -0.00 0.00 -1.41 0.00 0.00 60.65 58.73 3dby s ILE 94 Cb -0.18 -0.39 0.40 0.00 0.13 0.00 0.00 42.46 42.42 3dby s ILE 94 CO 0.05 -0.30 1.95 1.41 -1.91 0.00 0.00 174.94 176.14 3dby n HIS 95 N 1.77 2.52 -4.90 3.50 8.25 0.79 -4.78 115.22 122.36 3dby n HIS 95 Ca -0.21 -2.32 -0.26 0.00 -0.26 0.00 0.00 57.72 54.68 3dby n HIS 95 Cb 0.56 -1.13 -0.16 0.00 1.12 0.00 0.00 29.99 30.38 3dby n HIS 95 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3dby s PHE 96 N -2.90 1.74 0.75 4.41 2.99 -1.26 -5.00 117.98 118.70 3dby s PHE 96 Ca 0.49 -0.41 -0.11 0.00 0.00 0.00 0.00 56.93 56.91 3dby s PHE 96 Cb 0.40 -1.14 0.04 0.00 0.00 0.00 0.00 43.02 42.31 3dby s PHE 96 CO 0.02 -0.09 1.08 0.95 -0.00 0.00 0.00 175.22 177.17 3dby s THR 97 N -0.24 3.60 0.29 0.64 -4.23 -1.26 -4.90 115.64 109.54 3dby s THR 97 Ca 0.02 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3dby s THR 97 Cb -0.09 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.85 3dby s THR 97 CO 0.01 -0.68 1.88 -0.65 -0.54 0.00 0.00 174.62 174.64 3dby h PRO 98 N -0.94 0.99 -0.55 3.99 0.11 -1.98 -1.85 132.00 131.77 3dby h PRO 98 Ca -0.45 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3dby h PRO 98 Cb 1.23 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3dby h PRO 98 CO 0.56 0.66 0.00 1.15 -0.21 0.00 0.00 178.00 180.16 3dby h THR 99 N 1.02 1.26 -0.60 -1.15 2.02 -1.98 0.47 112.91 113.95 3dby h THR 99 Ca 0.43 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.55 3dby h THR 99 Cb 0.32 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3dby h THR 99 CO -0.19 0.39 0.37 0.15 0.37 0.00 0.00 175.52 176.61 3dby h PHE 100 N 0.87 0.69 -0.11 3.16 3.57 -1.71 0.43 116.94 123.84 3dby h PHE 100 Ca 0.16 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3dby h PHE 100 Cb 0.51 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3dby h PHE 100 CO 0.03 0.39 -0.52 0.82 -2.23 0.00 0.00 178.31 176.80 3dby h ILE 101 N 0.73 1.35 -0.84 1.41 2.04 -1.32 -2.57 117.51 118.30 3dby h ILE 101 Ca 0.24 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 3dby h ILE 101 Cb 0.03 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3dby h ILE 101 CO -0.10 0.53 0.49 -1.13 0.00 0.00 0.00 178.15 177.94 3dby h ASN 102 N 0.24 1.02 -0.58 1.72 -1.24 -0.41 0.04 115.58 116.38 3dby h ASN 102 Ca 0.01 -0.07 -0.05 0.00 0.71 0.00 0.00 56.30 56.90 3dby h ASN 102 Cb 1.00 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3dby h ASN 102 CO 0.08 0.80 0.18 0.45 -1.29 0.00 0.00 177.43 177.65 3dby h HIS 103 N 1.17 0.93 -0.74 0.67 3.86 -0.59 -1.85 115.15 118.59 3dby h HIS 103 Ca 0.30 -0.10 0.12 0.00 -1.16 0.00 0.00 60.37 59.54 3dby h HIS 103 Cb -0.03 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 28.09 3dby h HIS 103 CO 0.01 0.78 0.33 0.52 0.86 0.00 0.00 177.93 180.43 3dby h MET 104 N 0.81 0.51 -0.51 2.45 2.86 -0.91 -0.84 114.93 119.29 3dby h MET 104 Ca 0.19 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3dby h MET 104 Cb 0.29 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 3dby h MET 104 CO -0.01 0.34 0.33 0.28 1.06 0.00 0.00 176.91 178.91 3dby h VAL 105 N 0.52 1.10 -0.93 -2.22 2.07 -0.57 -0.79 116.25 115.43 3dby h VAL 105 Ca 0.39 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.78 3dby h VAL 105 Cb 0.52 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3dby h VAL 105 CO -0.34 0.12 0.60 0.78 0.02 0.00 0.00 177.57 178.74 3dby h ASN 106 N 0.66 0.87 -0.07 0.57 2.35 -0.70 0.40 115.58 119.66 3dby h ASN 106 Ca 0.20 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3dby h ASN 106 Cb -0.04 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 3dby h ASN 106 CO -0.06 0.52 -0.00 -0.33 -1.65 0.00 0.00 177.43 175.90 3dby h GLU 107 N 0.96 0.12 -0.04 0.81 5.08 -0.49 -2.41 114.58 118.62 3dby h GLU 107 Ca 0.43 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.68 3dby h GLU 107 Cb 0.36 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3dby h GLU 107 CO -0.19 0.41 -0.31 -0.24 -1.00 0.00 0.00 179.01 177.68 3dby h VAL 108 N -0.18 1.24 0.00 3.13 3.04 -0.80 -1.18 116.25 121.51 3dby h VAL 108 Ca 0.02 -1.14 -0.03 0.00 -1.01 0.00 0.00 66.70 64.53 3dby h VAL 108 Cb 0.36 1.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 3dby h VAL 108 CO 0.00 0.33 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.40 3dby h GLU 109 N 0.06 0.00 -0.16 4.17 5.08 -0.81 -0.80 114.58 122.12 3dby h GLU 109 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 3dby h GLU 109 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3dby h GLU 109 CO 0.04 0.16 -0.37 0.93 -1.00 0.00 0.00 179.01 178.77 3dby h GLU 110 N 0.00 0.53 -0.01 2.33 4.39 -0.71 -1.34 114.58 119.77 3dby h GLU 110 Ca -0.00 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.36 3dby h GLU 110 Cb 0.32 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3dby h GLU 110 CO 0.02 0.98 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.78 3dby h TYR 111 N 0.17 -0.38 -0.99 4.33 3.20 -1.03 -2.26 116.97 120.00 3dby h TYR 111 Ca -0.00 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.95 3dby h TYR 111 Cb 0.98 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 3dby h TYR 111 CO 0.10 -0.22 0.64 0.82 -1.64 0.00 0.00 178.16 177.86 3dby h ILE 112 N -0.24 1.08 -0.57 1.81 2.04 -1.12 0.93 117.51 121.43 3dby h ILE 112 Ca 0.05 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3dby h ILE 112 Cb 0.31 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 3dby h ILE 112 CO -0.15 0.21 0.32 0.00 0.00 0.00 0.00 178.15 178.53 3dby h ALA 113 N 1.45 0.74 -0.25 1.87 0.00 -1.06 -2.84 119.26 119.18 3dby h ALA 113 Ca 0.43 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 3dby h ALA 113 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dby h ALA 113 CO -0.17 0.00 -0.49 -0.39 0.00 0.00 0.00 179.25 178.20 3dby h VAL 114 N 0.61 1.30 -0.24 0.00 -1.51 -0.56 -3.01 116.25 112.84 3dby h VAL 114 Ca 0.25 -1.70 0.07 0.00 -1.23 0.00 0.00 66.70 64.09 3dby h VAL 114 Cb 0.11 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 3dby h VAL 114 CO -0.14 0.54 0.32 -0.07 -1.23 0.00 0.00 177.57 176.99 3dby h LEU 115 N 0.53 0.00 -0.20 4.19 3.38 -0.74 -0.43 115.31 122.05 3dby h LEU 115 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 115 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3dby h LEU 115 CO 0.10 0.00 0.08 -0.08 0.09 0.00 0.00 178.44 178.63 3dby h GLU 116 N 0.00 0.29 -0.07 1.13 4.81 -1.35 -0.42 114.58 118.97 3dby h GLU 116 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3dby h GLU 116 Cb 0.76 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 3dby h GLU 116 CO -0.00 0.34 -0.08 0.74 -0.73 0.00 0.00 179.01 179.28 3dby h PHE 117 N 0.17 0.20 -0.84 0.92 0.04 -1.41 -3.28 116.94 112.75 3dby h PHE 117 Ca 0.07 -0.06 0.12 0.00 2.80 0.00 0.00 57.97 60.90 3dby h PHE 117 Cb 0.16 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.18 3dby h PHE 117 CO -0.02 0.63 0.45 -0.07 -0.60 0.00 0.00 178.31 178.70 3dby h LEU 118 N -0.28 0.59 -0.11 1.54 3.38 -1.01 -0.83 115.31 118.58 3dby h LEU 118 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 118 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dby h LEU 118 CO 0.02 0.29 0.00 2.29 0.09 0.00 0.00 178.44 181.13 3dby n LYS 119 N -4.82 0.13 0.00 1.13 2.85 -0.18 -2.21 118.16 115.06 3dby n LYS 119 Ca 0.16 0.18 0.14 0.00 -1.05 0.00 0.00 58.31 57.73 3dby n LYS 119 Cb 0.37 -1.67 0.48 0.00 -0.65 0.00 0.00 35.03 33.55 3dby n LYS 119 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dby n LYS 120 N -1.90 1.58 -1.02 -1.58 5.02 -0.43 -4.91 118.16 114.92 3dby n LYS 120 Ca 0.05 -0.95 -0.01 0.00 -2.02 0.00 0.00 58.31 55.39 3dby n LYS 120 Cb 0.33 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dby n GLY 121 N 1.21 0.48 3.91 0.72 0.00 -0.94 -5.05 105.19 105.53 3dby n GLY 121 Ca 0.18 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3dby n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dby s GLU 122 N -0.94 3.49 -0.03 1.61 2.02 -0.56 -4.93 118.70 119.36 3dby s GLU 122 Ca 0.00 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 3dby s GLU 122 Cb 0.00 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3dby s GLU 122 CO 0.00 0.58 1.29 0.08 0.02 0.00 0.00 175.26 177.24 3dby s VAL 123 N -1.52 4.00 0.49 2.63 1.01 -1.26 -3.66 120.40 122.09 3dby s VAL 123 Ca 0.35 1.35 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 3dby s VAL 123 Cb -0.13 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 3dby s VAL 123 CO 0.26 -0.00 1.35 -2.65 0.00 0.00 0.00 175.10 174.06 3dby n PRO 124 N 5.30 1.91 -1.32 2.72 -0.02 -1.26 -4.96 135.00 137.36 3dby n PRO 124 Ca 0.12 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3dby n PRO 124 Cb 0.45 -2.54 0.10 0.00 -0.02 0.00 0.00 33.50 31.49 3dby n PRO 124 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dby s PRO 125 N -2.59 2.07 -0.42 0.52 0.04 -1.26 -5.00 135.00 128.37 3dby s PRO 125 Ca 0.66 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.99 3dby s PRO 125 Cb -0.45 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3dby s PRO 125 CO 0.54 -1.84 0.89 0.08 0.04 0.00 0.00 177.00 176.71 3dby s VAL 126 N -2.35 4.56 0.87 -0.36 1.01 -1.26 -5.04 120.40 117.83 3dby s VAL 126 Ca 0.69 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 3dby s VAL 126 Cb -0.24 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 31.89 3dby s VAL 126 CO 0.49 -0.68 1.09 -0.36 0.00 0.00 0.00 175.10 175.64 3dby s PHE 127 N 3.53 2.28 0.34 5.22 0.08 -1.26 -4.96 117.98 123.21 3dby s PHE 127 Ca 0.36 1.42 -0.29 0.00 0.12 0.00 0.00 56.93 58.54 3dby s PHE 127 Cb -0.11 -3.14 -0.12 0.00 -0.57 0.00 0.00 43.02 39.08 3dby s PHE 127 CO 0.22 -2.30 1.46 1.58 -0.10 0.00 0.00 175.22 176.09 3dby n HIS 128 N -3.84 2.73 -0.35 0.36 -0.00 -1.26 -4.70 115.22 108.16 3dby n HIS 128 Ca 0.08 0.42 0.15 0.00 -0.00 0.00 0.00 57.72 58.38 3dby n HIS 128 Cb 0.54 -2.52 0.36 0.00 -0.00 0.00 0.00 29.99 28.37 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3dby h GLU 129 N 3.41 0.65 -0.57 1.57 4.11 -1.92 0.54 114.58 122.37 3dby h GLU 129 Ca -0.48 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.02 3dby h GLU 129 Cb 1.25 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3dby h GLU 129 CO 0.68 0.43 0.39 -0.07 0.07 0.00 0.00 179.01 180.51 3dby h LEU 130 N 0.67 0.28 -0.42 3.06 3.38 -1.98 0.05 115.31 120.34 3dby h LEU 130 Ca 0.61 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.64 3dby h LEU 130 Cb 1.07 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3dby h LEU 130 CO -0.42 0.16 0.15 -0.74 0.09 0.00 0.00 178.44 177.69 3dby h HIS 131 N 0.31 0.26 -0.54 1.13 2.76 -1.23 -1.24 115.15 116.60 3dby h HIS 131 Ca 0.27 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.37 3dby h HIS 131 Cb 0.64 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 3dby h HIS 131 CO -0.00 0.10 0.01 1.88 -1.30 0.00 0.00 177.93 178.61 3dby h TYR 132 N 0.31 1.04 -0.19 5.26 0.05 -1.08 -2.86 116.97 119.50 3dby h TYR 132 Ca 0.20 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.82 3dby h TYR 132 Cb 0.19 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3dby h TYR 132 CO -0.15 0.94 0.06 0.45 -1.05 0.00 0.00 178.16 178.41 3dby h HIS 133 N 0.83 0.11 0.00 4.88 3.86 -0.97 -0.01 115.15 123.85 3dby h HIS 133 Ca 0.15 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3dby h HIS 133 Cb 0.53 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 3dby h HIS 133 CO 0.04 0.05 -0.02 -0.07 0.86 0.00 0.00 177.93 178.79 3dby h LEU 134 N 0.15 0.00 0.08 2.43 3.38 -1.12 -1.44 115.31 118.78 3dby h LEU 134 Ca 0.08 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 3dby h LEU 134 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3dby h LEU 134 CO -0.09 0.02 -2.03 0.52 0.09 0.00 0.00 178.44 176.94 3dby n VAL 135 N -3.19 1.68 0.56 1.22 0.31 -0.96 -4.65 118.33 113.29 3dby n VAL 135 Ca -0.02 -0.54 0.11 0.00 -0.01 0.00 0.00 64.34 63.88 3dby n VAL 135 Cb 0.18 -1.72 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 3dby n VAL 135 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3dby n TRP 136 N -3.60 0.17 -0.05 3.52 7.02 -0.06 -3.63 117.44 120.81 3dby n TRP 136 Ca -0.36 0.05 -0.15 0.00 -1.02 0.00 0.00 57.50 56.01 3dby n TRP 136 Cb 0.98 -0.36 -0.07 0.00 -2.42 0.00 0.00 31.31 29.44 3dby n TRP 136 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dby h LEU 137 N 0.00 0.69 -0.84 -0.99 3.38 -1.46 0.39 115.31 116.49 3dby h LEU 137 Ca 0.00 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.26 3dby h LEU 137 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3dby h LEU 137 CO 0.00 1.16 -0.53 0.71 0.09 0.00 0.00 178.44 179.87 3dby h THR 138 N 0.26 1.37 -0.26 0.22 1.35 -1.80 -0.50 112.91 113.56 3dby h THR 138 Ca -0.01 -1.82 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 3dby h THR 138 Cb 1.09 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3dby h THR 138 CO 0.10 0.53 0.15 -0.78 -0.25 0.00 0.00 175.52 175.27 3dby h ASP 139 N 0.10 0.31 -0.36 5.36 1.82 -1.60 -0.08 116.42 121.98 3dby h ASP 139 Ca -0.00 -0.06 -0.12 0.00 -0.39 0.00 0.00 57.03 56.46 3dby h ASP 139 Cb 0.97 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 3dby h ASP 139 CO 0.08 0.28 -0.23 0.00 -1.61 0.00 0.00 179.24 177.76 3dby h ALA 140 N 1.05 0.80 -0.91 -0.78 0.00 -0.49 -0.62 119.26 118.31 3dby h ALA 140 Ca 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3dby h ALA 140 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3dby h ALA 140 CO -0.02 0.65 0.52 0.00 0.00 0.00 0.00 179.25 180.40 3dby h ALA 141 N 0.99 1.16 -0.14 0.00 0.00 -0.96 -1.95 119.26 118.36 3dby h ALA 141 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 141 Cb 0.77 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3dby h ALA 141 CO 0.06 0.65 -0.13 0.78 0.00 0.00 0.00 179.25 180.61 3dby h GLY 142 N 1.26 0.24 0.68 0.00 0.00 -0.64 0.67 103.07 105.28 3dby h GLY 142 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3dby h GLY 142 CO -0.06 0.14 -0.09 0.45 0.00 0.00 0.00 176.54 176.98 3dby h HIS 143 N 0.21 -0.22 -0.64 5.60 3.86 -0.47 0.53 115.15 124.03 3dby h HIS 143 Ca 0.04 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3dby h HIS 143 Cb 0.36 0.07 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 3dby h HIS 143 CO 0.01 0.10 0.35 0.00 0.86 0.00 0.00 177.93 179.25 3dby h ALA 144 N 0.17 0.84 -0.46 2.45 0.00 -1.25 -1.79 119.26 119.21 3dby h ALA 144 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3dby h ALA 144 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3dby h ALA 144 CO 0.04 0.03 0.10 0.78 0.00 0.00 0.00 179.25 180.20 3dby h GLY 145 N 0.66 0.76 1.70 0.00 0.00 -0.80 -1.13 103.07 104.26 3dby h GLY 145 Ca 0.28 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 3dby h GLY 145 CO -0.17 0.40 -0.74 1.48 0.00 0.00 0.00 176.54 177.51 3dby h SER 146 N 0.68 0.35 -0.09 0.19 4.64 -0.52 -1.70 113.55 117.11 3dby h SER 146 Ca 0.15 -0.24 0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3dby h SER 146 Cb 0.28 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3dby h SER 146 CO -0.00 0.97 -0.04 0.40 -0.87 0.00 0.00 176.83 177.29 3dby h ILE 147 N 0.19 0.86 -0.54 0.95 1.08 -0.87 -0.50 117.51 118.68 3dby h ILE 147 Ca -0.03 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.55 3dby h ILE 147 Cb 1.32 0.86 -0.10 0.00 -3.07 0.00 0.00 36.82 35.82 3dby h ILE 147 CO 0.12 0.00 -0.15 0.28 -0.69 0.00 0.00 178.15 177.71 3dby h SER 148 N -0.04 -0.55 1.42 1.72 0.02 -0.99 -1.84 113.55 113.30 3dby h SER 148 Ca 0.05 0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 3dby h SER 148 Cb 0.11 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3dby h SER 148 CO -0.11 -0.19 -0.10 1.23 -1.14 0.00 0.00 176.83 176.51 3dby h GLY 149 N -0.02 0.00 1.30 -3.77 0.00 -1.15 -3.17 103.07 96.27 3dby h GLY 149 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3dby h GLY 149 CO -0.57 0.00 -0.56 -1.33 0.00 0.00 0.00 176.54 174.08 3dby h GLY 150 N 2.94 0.00 -2.75 4.60 0.00 -0.29 -3.47 103.07 104.09 3dby h GLY 150 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3dby h GLY 150 CO 0.01 0.00 0.40 1.08 0.00 0.00 0.00 176.54 178.03 3dby s LEU 151 N -4.57 4.15 0.64 3.11 1.43 -0.83 -0.79 118.68 121.82 3dby s LEU 151 Ca 0.06 2.00 -0.18 0.00 -1.03 0.00 0.00 54.13 54.98 3dby s LEU 151 Cb 0.12 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 3dby s LEU 151 CO 0.71 -0.44 1.13 -0.67 0.23 0.00 0.00 176.35 177.31 3dby n ASP 152 N -0.03 1.38 -0.36 2.29 2.03 0.42 -4.88 116.55 117.40 3dby n ASP 152 Ca 0.05 0.80 0.32 0.00 0.52 0.00 0.00 54.79 56.47 3dby n ASP 152 Cb 0.50 -1.48 0.65 0.00 -0.72 0.00 0.00 41.12 40.07 3dby n ASP 152 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3dby h LEU 153 N 0.39 0.21 -0.13 -2.67 5.85 -1.95 -1.74 115.31 115.27 3dby h LEU 153 Ca -0.50 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3dby h LEU 153 Cb 1.35 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.40 3dby h LEU 153 CO 0.51 0.00 -0.39 1.33 -0.34 0.00 0.00 178.44 179.56 3dby n VAL 154 N -4.42 0.00 -1.19 1.05 0.24 -1.26 -4.29 118.33 108.45 3dby n VAL 154 Ca 0.28 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.34 62.26 3dby n VAL 154 Cb 1.18 0.22 -0.08 0.00 -1.47 0.00 0.00 33.84 33.69 3dby n VAL 154 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3dby n GLU 155 N -1.26 3.06 -0.19 7.34 -0.58 -0.65 -4.63 120.64 123.72 3dby n GLU 155 Ca 0.08 -1.74 -0.08 0.00 -0.42 0.00 0.00 57.16 55.00 3dby n GLU 155 Cb 0.34 -2.50 0.02 0.00 -0.57 0.00 0.00 31.44 28.73 3dby n GLU 155 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3dby h LYS 156 N 4.24 0.78 -0.25 3.49 1.79 -1.82 -0.44 116.57 124.36 3dby h LYS 156 Ca 0.62 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.96 3dby h LYS 156 Cb 0.75 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 3dby h LYS 156 CO 1.20 0.64 0.13 -0.09 -1.08 0.00 0.00 179.45 180.25 3dby h ARG 157 N 0.73 0.36 -0.56 3.15 9.65 -1.97 0.16 114.38 125.90 3dby h ARG 157 Ca 0.19 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3dby h ARG 157 Cb 0.12 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3dby h ARG 157 CO -0.02 0.34 0.12 -0.07 2.80 0.00 0.00 179.97 183.14 3dby h LEU 158 N 0.28 0.82 -0.78 3.80 3.38 -1.90 -2.72 115.31 118.20 3dby h LEU 158 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dby h LEU 158 Cb 0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3dby h LEU 158 CO -0.01 0.82 0.42 0.50 0.09 0.00 0.00 178.44 180.25 3dby h LYS 159 N 0.84 1.09 -0.90 1.13 3.64 -0.49 -1.60 116.57 120.27 3dby h LYS 159 Ca 0.18 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3dby h LYS 159 Cb 0.33 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 3dby h LYS 159 CO 0.00 0.81 0.57 0.93 -2.27 0.00 0.00 179.45 179.49 3dby h GLU 160 N 1.08 1.04 -0.31 1.90 5.08 -0.42 -1.53 114.58 121.43 3dby h GLU 160 Ca 0.27 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.42 3dby h GLU 160 Cb 0.04 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 3dby h GLU 160 CO -0.04 0.69 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.04 3dby h LYS 161 N 1.07 0.81 0.00 2.33 1.63 -1.18 -2.37 116.57 118.86 3dby h LYS 161 Ca 0.38 -0.46 -0.14 0.00 -0.85 0.00 0.00 60.65 59.57 3dby h LYS 161 Cb 0.09 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3dby h LYS 161 CO -0.15 1.09 -0.67 0.66 -3.45 0.00 0.00 179.45 176.93 3dby h SER 162 N 0.59 0.00 -0.41 4.20 4.64 -1.10 -2.43 113.55 119.03 3dby h SER 162 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3dby h SER 162 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3dby h SER 162 CO 0.09 0.67 0.21 -0.33 -0.87 0.00 0.00 176.83 176.60 3dby h GLU 163 N 0.00 0.62 -0.21 4.77 5.08 -1.28 -0.37 114.58 123.19 3dby h GLU 163 Ca -0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3dby h GLU 163 Cb 1.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3dby h GLU 163 CO 0.09 0.49 -0.03 1.49 -1.00 0.00 0.00 179.01 180.06 3dby h GLU 164 N 0.63 0.39 -0.49 2.33 4.81 -1.13 -1.02 114.58 120.11 3dby h GLU 164 Ca 0.16 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dby h GLU 164 Cb 0.08 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 3dby h GLU 164 CO -0.02 0.61 0.26 0.74 -0.73 0.00 0.00 179.01 179.87 3dby h PHE 165 N 0.14 0.48 -0.22 0.92 0.04 -1.27 -1.13 116.94 115.90 3dby h PHE 165 Ca 0.06 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.89 3dby h PHE 165 Cb 0.45 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 3dby h PHE 165 CO 0.04 0.25 -0.08 1.15 -0.60 0.00 0.00 178.31 179.07 3dby h THR 166 N 0.51 0.73 0.00 -1.55 2.02 -0.90 -0.49 112.91 113.24 3dby h THR 166 Ca 0.21 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.42 3dby h THR 166 Cb 0.09 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3dby h THR 166 CO -0.13 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 175.97 3dby h LYS 167 N -0.03 -0.42 -0.53 6.66 3.64 -1.02 -1.20 116.57 123.67 3dby h LYS 167 Ca 0.11 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 3dby h LYS 167 Cb 0.20 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 3dby h LYS 167 CO -0.25 -0.28 0.19 0.45 -2.27 0.00 0.00 179.45 177.30 3dby h HIS 168 N -0.44 0.34 -0.43 1.91 3.86 -0.91 -0.80 115.15 118.68 3dby h HIS 168 Ca 0.06 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.16 3dby h HIS 168 Cb 0.52 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3dby h HIS 168 CO -0.31 0.11 -0.29 0.74 0.86 0.00 0.00 177.93 179.04 3dby h PHE 169 N 0.38 1.09 -0.46 2.45 0.04 -0.87 -0.07 116.94 119.50 3dby h PHE 169 Ca 0.25 -0.29 0.06 0.00 2.80 0.00 0.00 57.97 60.80 3dby h PHE 169 Cb 0.27 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 3dby h PHE 169 CO -0.16 1.10 0.15 0.93 -0.60 0.00 0.00 178.31 179.74 3dby h GLU 170 N 0.79 0.31 -0.51 1.51 5.08 -1.04 0.27 114.58 121.00 3dby h GLU 170 Ca 0.09 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3dby h GLU 170 Cb 0.86 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 3dby h GLU 170 CO 0.08 0.21 -0.14 1.96 -1.00 0.00 0.00 179.01 180.11 3dby h GLN 171 N 0.32 0.99 -0.93 2.33 4.20 -1.00 -1.04 115.11 119.97 3dby h GLN 171 Ca 0.22 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.57 3dby h GLN 171 Cb 0.24 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.91 3dby h GLN 171 CO -0.24 1.06 0.61 0.74 -0.67 0.00 0.00 178.83 180.34 3dby h PHE 172 N 0.85 1.15 -0.61 2.96 0.04 -0.78 -2.53 116.94 118.02 3dby h PHE 172 Ca 0.13 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3dby h PHE 172 Cb 0.71 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 3dby h PHE 172 CO 0.05 0.69 0.35 -0.92 -0.60 0.00 0.00 178.31 177.87 3dby h TYR 173 N 1.21 0.83 -0.86 -0.55 3.20 0.48 -0.42 116.97 120.86 3dby h TYR 173 Ca 0.36 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.28 3dby h TYR 173 Cb -0.06 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 37.88 3dby h TYR 173 CO -0.01 0.59 0.53 -0.07 -1.64 0.00 0.00 178.16 177.56 3dby h LEU 174 N 0.83 0.81 -0.25 2.82 3.38 -0.99 0.36 115.31 122.28 3dby h LEU 174 Ca 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3dby h LEU 174 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dby h LEU 174 CO -0.04 0.51 0.13 0.50 0.09 0.00 0.00 178.44 179.63 3dby h LYS 175 N 0.94 0.35 -0.81 1.13 3.64 -1.05 -2.26 116.57 118.50 3dby h LYS 175 Ca 0.39 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.81 3dby h LYS 175 Cb 0.22 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 3dby h LYS 175 CO -0.19 0.33 0.46 0.00 -2.27 0.00 0.00 179.45 177.77 3dby h ALA 176 N 1.00 1.15 -0.03 5.00 0.00 -0.43 -0.72 119.26 125.24 3dby h ALA 176 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dby h ALA 176 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dby h ALA 176 CO -0.01 0.08 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 3dby h VAL 177 N 0.77 0.89 -0.13 0.00 2.07 -0.73 -0.78 116.25 118.33 3dby h VAL 177 Ca 0.39 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.91 3dby h VAL 177 Cb 0.36 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3dby h VAL 177 CO -0.25 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.10 3dby h GLU 178 N -0.06 0.18 -0.54 1.57 4.39 -1.05 -3.00 114.58 116.07 3dby h GLU 178 Ca 0.03 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 3dby h GLU 178 Cb 0.10 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3dby h GLU 178 CO -0.06 0.14 0.36 0.52 -1.16 0.00 0.00 179.01 178.81 3dby h MET 179 N 0.16 0.62 -0.95 2.33 2.86 -1.02 0.22 114.93 119.16 3dby h MET 179 Ca 0.05 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3dby h MET 179 Cb 0.00 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 3dby h MET 179 CO -0.01 0.41 0.63 1.15 1.06 0.00 0.00 176.91 180.15 3dby h THR 180 N 0.64 1.22 -0.35 2.22 2.02 -1.05 -2.26 112.91 115.35 3dby h THR 180 Ca 0.21 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 3dby h THR 180 Cb 0.06 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 3dby h THR 180 CO -0.05 0.23 -0.06 1.23 0.37 0.00 0.00 175.52 177.23 3dby h GLY 181 N 1.26 0.62 0.68 2.16 0.00 -0.86 -2.78 103.07 104.15 3dby h GLY 181 Ca 0.36 -0.41 0.15 0.00 0.00 0.00 0.00 47.33 47.43 3dby h GLY 181 CO -0.09 0.38 0.50 -0.97 0.00 0.00 0.00 176.54 176.36 3dby h TYR 182 N 0.54 0.43 0.00 5.60 0.05 -0.66 -2.42 116.97 120.50 3dby h TYR 182 Ca 0.11 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3dby h TYR 182 Cb 0.44 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.05 3dby h TYR 182 CO 0.02 0.16 0.15 -0.07 -1.05 0.00 0.00 178.16 177.37 3dby h LEU 183 N 0.36 0.00 -1.83 3.88 3.38 -1.24 -1.09 115.31 118.78 3dby h LEU 183 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3dby h LEU 183 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3dby h LEU 183 CO -0.11 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.45 3dby h ARG 184 N 0.00 0.00 0.00 1.13 3.08 -1.59 0.17 114.38 117.17 3dby h ARG 184 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dby h ARG 184 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3dby h ARG 184 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3dby n THR 185 N -2.78 0.29 -0.74 2.04 -2.24 -0.41 -4.86 114.28 105.58 3dby n THR 185 Ca -0.01 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3dby n THR 185 Cb 0.16 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3dby n THR 185 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dby n GLU 186 N -1.25 -0.10 -2.90 -0.78 1.02 0.61 -4.96 120.64 112.28 3dby n GLU 186 Ca 0.11 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 3dby n GLU 186 Cb 0.16 -3.68 -0.05 0.00 -0.02 0.00 0.00 31.44 27.85 3dby n GLU 186 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3dby s LEU 187 N 0.00 4.10 -0.00 -4.62 2.96 -1.26 -4.95 118.68 114.91 3dby s LEU 187 Ca 0.00 0.26 0.21 0.00 -0.22 0.00 0.00 54.13 54.38 3dby s LEU 187 Cb 0.00 -3.10 -0.19 0.00 0.50 0.00 0.00 46.19 43.40 3dby s LEU 187 CO 0.00 -0.86 0.90 1.41 -1.32 0.00 0.00 176.35 176.48 3dby n HIS 188 N 6.71 0.01 -3.74 5.38 8.25 -1.26 -4.44 115.22 126.13 3dby n HIS 188 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3dby n HIS 188 Cb 0.48 -0.07 -0.14 0.00 1.12 0.00 0.00 29.99 31.39 3dby n HIS 188 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3dby s HIS 189 N -3.05 -0.26 0.18 4.41 3.76 -1.26 -5.05 115.29 114.02 3dby s HIS 189 Ca 0.07 0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 55.45 3dby s HIS 189 Cb 0.16 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.88 3dby s HIS 189 CO 0.86 -0.21 0.54 -0.59 -0.85 0.00 0.00 174.74 174.49 3dby s PHE 190 N 1.23 -0.24 0.36 1.40 -0.12 -1.26 -5.07 117.98 114.27 3dby s PHE 190 Ca -0.09 -0.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 3dby s PHE 190 Cb -0.11 0.44 0.69 0.00 -0.63 0.00 0.00 43.02 43.41 3dby s PHE 190 CO -0.07 -0.89 1.86 -1.35 -0.05 0.00 0.00 175.22 174.72 3dby h PRO 191 N 2.16 0.27 -0.74 1.99 0.11 -2.01 -2.05 132.00 131.73 3dby h PRO 191 Ca -0.30 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 3dby h PRO 191 Cb 1.27 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 3dby h PRO 191 CO 0.38 0.45 0.40 0.00 -0.21 0.00 0.00 178.00 179.02 3dby h ALA 192 N 1.57 1.32 -0.13 -0.75 0.00 -1.99 -1.43 119.26 117.85 3dby h ALA 192 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3dby h ALA 192 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dby h ALA 192 CO 0.03 0.56 -0.15 1.25 0.00 0.00 0.00 179.25 180.93 3dby h LEU 193 N 1.03 0.36 -0.55 0.00 5.85 -1.81 -1.62 115.31 118.57 3dby h LEU 193 Ca 0.26 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.56 3dby h LEU 193 Cb 0.03 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.90 3dby h LEU 193 CO -0.04 0.79 0.22 0.11 -0.34 0.00 0.00 178.44 179.17 3dby h LYS 194 N -0.06 0.40 -0.44 1.25 6.56 -1.21 -0.84 116.57 122.22 3dby h LYS 194 Ca 0.02 -0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.60 3dby h LYS 194 Cb 0.69 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 3dby h LYS 194 CO 0.04 0.26 0.26 -0.22 -2.06 0.00 0.00 179.45 177.73 3dby h LYS 195 N 0.41 0.51 -0.37 3.15 1.63 -1.26 -1.63 116.57 119.00 3dby h LYS 195 Ca 0.27 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.10 3dby h LYS 195 Cb 0.28 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 3dby h LYS 195 CO -0.25 0.34 0.04 0.35 -3.45 0.00 0.00 179.45 176.47 3dby h PHE 196 N 0.52 0.05 -0.09 1.91 3.57 -0.77 -0.48 116.94 121.65 3dby h PHE 196 Ca 0.18 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 196 Cb 0.01 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3dby h PHE 196 CO -0.07 -0.03 -0.43 1.15 -2.23 0.00 0.00 178.31 176.70 3dby h THR 197 N 0.15 1.32 -0.50 4.41 2.02 -0.75 -0.45 112.91 119.10 3dby h THR 197 Ca 0.18 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.76 3dby h THR 197 Cb 0.23 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3dby h THR 197 CO -0.27 0.46 0.12 0.11 0.37 0.00 0.00 175.52 176.31 3dby h LYS 198 N 0.16 0.81 -0.38 6.66 1.57 -0.92 -0.79 116.57 123.69 3dby h LYS 198 Ca 0.01 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 3dby h LYS 198 Cb 0.83 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3dby h LYS 198 CO 0.06 0.79 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.26 3dby h ASP 199 N 0.70 0.68 -0.70 0.86 3.32 -0.37 -1.77 116.42 119.13 3dby h ASP 199 Ca 0.16 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3dby h ASP 199 Cb 0.34 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3dby h ASP 199 CO 0.00 0.85 0.42 0.58 -1.72 0.00 0.00 179.24 179.38 3dby h VAL 200 N 0.50 1.20 -0.70 -1.35 2.07 -1.09 -2.41 116.25 114.47 3dby h VAL 200 Ca 0.10 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.21 3dby h VAL 200 Cb 0.52 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3dby h VAL 200 CO 0.03 0.21 0.43 0.28 0.02 0.00 0.00 177.57 178.54 3dby h SER 201 N 0.96 0.70 -0.77 0.57 0.02 -0.79 -0.03 113.55 114.22 3dby h SER 201 Ca 0.25 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3dby h SER 201 Cb -0.03 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3dby h SER 201 CO -0.05 0.48 0.45 -0.07 -1.14 0.00 0.00 176.83 176.50 3dby h LEU 202 N 0.83 0.93 -0.21 5.07 3.38 -1.22 -1.65 115.31 122.45 3dby h LEU 202 Ca 0.29 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3dby h LEU 202 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3dby h LEU 202 CO -0.12 0.73 -0.07 -0.08 0.09 0.00 0.00 178.44 178.99 3dby h GLU 203 N 1.06 0.42 -0.91 1.13 4.57 -0.90 -1.55 114.58 118.39 3dby h GLU 203 Ca 0.27 -0.17 0.13 0.00 -1.18 0.00 0.00 59.36 58.41 3dby h GLU 203 Cb -0.02 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 3dby h GLU 203 CO -0.05 0.68 0.59 -0.07 -1.18 0.00 0.00 179.01 178.98 3dby h LEU 204 N 0.13 0.75 -0.16 1.64 3.38 -0.96 0.10 115.31 120.19 3dby h LEU 204 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 204 Cb 0.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3dby h LEU 204 CO 0.03 0.40 0.06 0.50 0.09 0.00 0.00 178.44 179.51 3dby h LYS 205 N 0.80 0.24 -0.64 1.13 1.63 -1.04 -0.31 116.57 118.38 3dby h LYS 205 Ca 0.45 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.20 3dby h LYS 205 Cb 0.59 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 3dby h LYS 205 CO -0.21 0.33 0.36 -0.07 -3.45 0.00 0.00 179.45 176.42 3dby h LEU 206 N 0.09 0.78 -0.06 5.20 3.38 -0.61 -2.63 115.31 121.46 3dby h LEU 206 Ca 0.05 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 3dby h LEU 206 Cb 0.19 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.76 3dby h LEU 206 CO -0.00 0.62 -0.94 0.15 0.09 0.00 0.00 178.44 178.36 3dby h PHE 207 N 0.89 1.05 -0.65 1.13 3.57 -0.78 -1.72 116.94 120.42 3dby h PHE 207 Ca 0.23 -0.53 0.11 0.00 3.53 0.00 0.00 57.97 61.31 3dby h PHE 207 Cb 0.00 -0.14 -0.08 0.00 2.79 0.00 0.00 35.95 38.52 3dby h PHE 207 CO 0.00 1.37 0.22 0.77 -2.23 0.00 0.00 178.31 178.45 3dby h SER 208 N 0.44 0.18 -0.33 0.41 0.02 -1.00 0.27 113.55 113.55 3dby h SER 208 Ca -0.10 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3dby h SER 208 Cb 1.58 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.20 3dby h SER 208 CO 0.19 0.09 0.18 0.45 -1.14 0.00 0.00 176.83 176.59 3dby h HIS 209 N 0.38 0.45 -0.65 3.45 3.86 -1.28 -0.72 115.15 120.64 3dby h HIS 209 Ca 0.34 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.56 3dby h HIS 209 Cb 0.48 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.77 3dby h HIS 209 CO -0.19 0.37 0.42 0.35 0.86 0.00 0.00 177.93 179.73 3dby h PHE 210 N 0.40 0.78 -0.73 2.45 3.57 -0.82 -0.48 116.94 122.12 3dby h PHE 210 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3dby h PHE 210 Cb 0.07 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3dby h PHE 210 CO -0.03 0.47 0.28 -0.07 -2.23 0.00 0.00 178.31 176.73 3dby h LEU 211 N 0.83 0.99 -0.92 0.59 3.38 -0.23 0.95 115.31 120.89 3dby h LEU 211 Ca 0.25 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 211 Cb -0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3dby h LEU 211 CO -0.08 0.89 -0.40 0.45 0.09 0.00 0.00 178.44 179.39 3dby h HIS 212 N 1.05 0.34 -0.40 1.13 3.86 -0.63 -0.68 115.15 119.82 3dby h HIS 212 Ca 0.24 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 3dby h HIS 212 Cb 0.21 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3dby h HIS 212 CO 0.02 0.65 -0.10 0.93 0.86 0.00 0.00 177.93 180.29 3dby h GLU 213 N 0.24 0.77 -0.91 2.45 5.08 -0.43 -2.38 114.58 119.41 3dby h GLU 213 Ca 0.02 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3dby h GLU 213 Cb 0.81 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 3dby h GLU 213 CO 0.06 0.90 0.52 0.28 -1.00 0.00 0.00 179.01 179.78 3dby h VAL 214 N 0.58 1.26 -0.57 3.13 2.07 -0.58 -1.76 116.25 120.38 3dby h VAL 214 Ca 0.10 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3dby h VAL 214 Cb 0.62 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3dby h VAL 214 CO 0.04 0.28 0.37 -0.08 0.02 0.00 0.00 177.57 178.21 3dby h GLU 215 N 1.27 0.74 -0.45 1.57 4.81 -0.95 -0.76 114.58 120.80 3dby h GLU 215 Ca 0.32 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3dby h GLU 215 Cb -0.00 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3dby h GLU 215 CO -0.06 0.49 -0.06 0.93 -0.73 0.00 0.00 179.01 179.59 3dby h GLU 216 N 0.76 0.84 -0.70 1.92 4.39 -1.17 -0.30 114.58 120.31 3dby h GLU 216 Ca 0.21 -0.30 0.10 0.00 0.34 0.00 0.00 59.36 59.71 3dby h GLU 216 Cb -0.08 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.44 3dby h GLU 216 CO -0.05 0.92 0.32 -0.07 -1.16 0.00 0.00 179.01 178.97 3dby h LEU 217 N 0.67 0.39 -0.41 1.33 3.38 -1.04 -1.29 115.31 118.34 3dby h LEU 217 Ca 0.12 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 217 Cb 0.58 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3dby h LEU 217 CO 0.03 0.22 -0.16 -0.33 0.09 0.00 0.00 178.44 178.29 3dby h GLU 218 N 0.54 0.83 -0.70 1.13 4.39 -0.74 0.20 114.58 120.23 3dby h GLU 218 Ca 0.35 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3dby h GLU 218 Cb 0.41 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3dby h GLU 218 CO -0.29 0.98 0.36 -0.07 -1.16 0.00 0.00 179.01 178.82 3dby h LEU 219 N 0.64 0.88 -1.15 1.33 3.38 -0.79 -2.62 115.31 116.98 3dby h LEU 219 Ca 0.09 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dby h LEU 219 Cb 0.71 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3dby h LEU 219 CO 0.05 0.73 -0.07 -1.54 0.09 0.00 0.00 178.44 177.70 3dby n SER 220 N -4.35 1.85 -1.72 -0.43 3.41 -0.51 -4.95 113.62 106.93 3dby n SER 220 Ca 0.07 -1.54 -0.14 0.00 -0.26 0.00 0.00 58.87 57.00 3dby n SER 220 Cb 0.12 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3dby n SER 220 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3dby n ASN 221 N 0.34 -4.29 -0.25 4.04 3.02 0.12 -4.91 115.26 113.34 3dby n ASN 221 Ca 0.16 -0.08 0.11 0.00 -0.03 0.00 0.00 54.58 54.74 3dby n ASN 221 Cb 0.43 -3.35 0.06 0.00 -0.61 0.00 0.00 39.78 36.30 3dby n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dby n GLU 222 N -2.50 0.64 -5.02 3.52 1.02 0.46 -4.85 120.64 113.91 3dby n GLU 222 Ca -0.13 -0.49 -0.31 0.00 -0.02 0.00 0.00 57.16 56.21 3dby n GLU 222 Cb 0.60 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 3dby n GLU 222 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dby s VAL 223 N -2.70 2.51 -0.24 2.62 0.11 -1.24 -5.04 120.40 116.42 3dby s VAL 223 Ca 0.15 -1.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.04 3dby s VAL 223 Cb 0.18 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 3dby s VAL 223 CO 0.67 0.52 0.30 -0.76 -3.33 0.00 0.00 175.10 172.49 3dby s LEU 224 N -0.86 4.10 0.06 2.54 1.43 -1.26 -4.90 118.68 119.79 3dby s LEU 224 Ca 0.11 0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 3dby s LEU 224 Cb -0.10 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 43.88 3dby s LEU 224 CO 0.01 -0.06 1.17 -0.94 0.23 0.00 0.00 176.35 176.76 3dby s SER 225 N 1.27 -0.05 -0.24 2.29 1.04 -1.26 -0.44 113.70 116.31 3dby s SER 225 Ca 0.13 -0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.38 3dby s SER 225 Cb -0.15 0.29 0.55 0.00 0.10 0.00 0.00 66.02 66.81 3dby s SER 225 CO 0.08 -0.56 1.49 1.33 0.98 0.00 0.00 173.24 176.55 3dby n VAL 226 N -0.62 2.46 -2.82 5.02 0.24 0.03 -4.91 118.33 117.73 3dby n VAL 226 Ca -0.04 -2.13 -0.21 0.00 -2.04 0.00 0.00 64.34 59.91 3dby n VAL 226 Cb 0.61 -0.29 0.08 0.00 -1.47 0.00 0.00 33.84 32.76 3dby n VAL 226 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dby s LEU 227 N -2.99 3.08 0.05 1.34 1.43 -1.26 -5.03 118.68 115.30 3dby s LEU 227 Ca 0.45 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3dby s LEU 227 Cb 0.38 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 3dby s LEU 227 CO 0.06 -1.55 -0.04 -0.94 0.23 0.00 0.00 176.35 174.11 3dby s SER 228 N -4.68 0.60 0.32 2.29 1.04 -1.26 -5.03 113.70 106.98 3dby s SER 228 Ca 0.63 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 56.23 3dby s SER 228 Cb -0.06 0.14 0.54 0.00 0.10 0.00 0.00 66.02 66.75 3dby s SER 228 CO 0.41 -0.47 1.86 0.00 0.98 0.00 0.00 173.24 176.02 3dby h ALA 229 N 3.55 1.32 -0.43 5.32 0.00 -1.87 -2.55 119.26 124.60 3dby h ALA 229 Ca -0.34 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3dby h ALA 229 Cb 1.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dby h ALA 229 CO 0.58 0.47 -0.07 -0.09 0.00 0.00 0.00 179.25 180.14 3dby h ARG 230 N 0.59 0.73 -0.36 0.00 2.43 -1.95 -0.63 114.38 115.19 3dby h ARG 230 Ca 0.13 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3dby h ARG 230 Cb 0.32 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3dby h ARG 230 CO 0.01 0.79 0.16 1.98 -1.51 0.00 0.00 179.97 181.39 3dby h MET 231 N 0.67 0.53 -0.73 0.20 4.05 -1.90 -0.02 114.93 117.74 3dby h MET 231 Ca 0.12 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 3dby h MET 231 Cb 0.51 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 3dby h MET 231 CO 0.03 0.50 0.26 0.00 0.23 0.00 0.00 176.91 177.93 3dby h ALA 232 N 1.00 1.09 0.02 0.39 0.00 -1.18 -0.07 119.26 120.51 3dby h ALA 232 Ca 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dby h ALA 232 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dby h ALA 232 CO -0.01 0.63 -0.01 0.22 0.00 0.00 0.00 179.25 180.08 3dby h ASP 233 N 1.06 -0.02 -0.30 0.00 3.58 -1.05 -0.99 116.42 118.70 3dby h ASP 233 Ca 0.24 -0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.65 3dby h ASP 233 Cb 0.25 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.22 3dby h ASP 233 CO -0.01 0.10 -0.32 -0.74 -2.88 0.00 0.00 179.24 175.38 3dby h HIS 234 N -0.14 -0.88 -0.60 0.28 2.76 -0.92 -0.29 115.15 115.37 3dby h HIS 234 Ca -0.00 0.05 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 3dby h HIS 234 Cb 0.13 0.43 -0.06 0.00 1.55 0.00 0.00 27.41 29.46 3dby h HIS 234 CO -0.04 -0.38 0.28 0.52 -1.30 0.00 0.00 177.93 177.01 3dby h MET 235 N -0.30 0.49 -0.55 5.26 2.86 -0.87 -1.85 114.93 119.98 3dby h MET 235 Ca 0.15 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3dby h MET 235 Cb 0.53 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3dby h MET 235 CO -0.47 0.32 0.18 0.00 1.06 0.00 0.00 176.91 178.01 3dby h ALA 236 N 1.36 1.30 -0.58 6.32 0.00 -0.78 -1.40 119.26 125.48 3dby h ALA 236 Ca 0.29 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 236 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3dby h ALA 236 CO -0.24 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 3dby h ARG 237 N 0.79 1.01 -0.48 0.00 3.08 -0.57 -1.29 114.38 116.91 3dby h ARG 237 Ca 0.18 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 3dby h ARG 237 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3dby h ARG 237 CO -0.01 0.99 -0.03 0.93 -1.07 0.00 0.00 179.97 180.78 3dby h GLU 238 N 0.92 0.86 -0.96 0.04 5.08 -1.17 -1.82 114.58 117.55 3dby h GLU 238 Ca 0.17 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3dby h GLU 238 Cb 0.54 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3dby h GLU 238 CO 0.03 0.92 0.63 0.93 -1.00 0.00 0.00 179.01 180.52 3dby h GLU 239 N 0.72 1.27 -0.43 2.33 4.39 -1.24 -1.35 114.58 120.27 3dby h GLU 239 Ca 0.13 -0.08 0.03 0.00 0.34 0.00 0.00 59.36 59.78 3dby h GLU 239 Cb 0.55 -0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3dby h GLU 239 CO 0.03 0.84 0.22 0.00 -1.16 0.00 0.00 179.01 178.95 3dby h TYR 241 N 0.45 0.90 -0.29 0.00 3.20 -1.07 0.23 116.97 120.39 3dby h TYR 241 Ca 0.18 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.99 3dby h TYR 241 Cb 0.07 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3dby h TYR 241 CO -0.09 0.74 0.15 -0.92 -1.64 0.00 0.00 178.16 176.40 3dby h TYR 242 N 0.80 0.27 -0.25 -3.82 3.20 -1.14 -0.43 116.97 115.61 3dby h TYR 242 Ca 0.19 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.12 3dby h TYR 242 Cb 0.24 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3dby h TYR 242 CO 0.01 0.15 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.58 3dby h LEU 243 N 0.31 -0.16 -0.32 2.82 3.38 -0.22 -1.59 115.31 119.53 3dby h LEU 243 Ca 0.12 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.20 3dby h LEU 243 Cb 0.03 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3dby h LEU 243 CO -0.08 -0.05 0.09 0.25 0.09 0.00 0.00 178.44 178.74 3dby h LEU 244 N 0.04 0.07 -1.58 1.67 7.12 -0.86 -0.73 115.31 121.03 3dby h LEU 244 Ca 0.12 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 58.14 3dby h LEU 244 Cb 0.17 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 3dby h LEU 244 CO -0.23 0.08 -0.03 0.11 -0.13 0.00 0.00 178.44 178.24 3dby h LYS 245 N 0.22 0.23 -0.07 1.25 1.79 -0.81 -1.25 116.57 117.92 3dby h LYS 245 Ca 0.15 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.35 3dby h LYS 245 Cb 0.14 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3dby h LYS 245 CO -0.17 0.28 -0.86 -0.07 -1.08 0.00 0.00 179.45 177.55 3dby h LEU 246 N 0.22 0.87 -0.27 2.94 3.38 -0.96 -1.35 115.31 120.15 3dby h LEU 246 Ca 0.05 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 57.36 3dby h LEU 246 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3dby h LEU 246 CO 0.01 1.44 0.10 0.00 0.09 0.00 0.00 178.44 180.07 3dby h ALA 247 N 0.45 0.30 0.24 1.53 0.00 -0.87 0.10 119.26 121.01 3dby h ALA 247 Ca -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dby h ALA 247 Cb 1.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3dby h ALA 247 CO 0.17 -0.31 -0.12 1.96 0.00 0.00 0.00 179.25 180.96 3dby h GLN 248 N 0.22 -0.31 0.00 0.00 4.20 -1.23 0.26 115.11 118.24 3dby h GLN 248 Ca 0.12 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 3dby h GLN 248 Cb 0.08 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3dby h GLN 248 CO -0.12 -0.12 -0.52 0.66 -0.67 0.00 0.00 178.83 178.07 3dby h SER 249 N -0.44 0.00 0.00 1.46 4.64 -1.21 -3.34 113.55 114.66 3dby h SER 249 Ca -0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.16 3dby h SER 249 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3dby h SER 249 CO 0.05 0.52 -2.10 -0.24 -0.87 0.00 0.00 176.83 174.19 3dby n SER 250 N -3.70 0.15 -0.10 4.97 2.88 0.34 -4.59 113.62 113.57 3dby n SER 250 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 3dby n SER 250 Cb 0.57 1.62 0.00 0.00 -0.75 0.00 0.00 64.21 65.65 3dby n SER 250 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dby n GLY 251 N 1.47 1.11 3.91 0.46 0.00 -0.06 -5.05 105.19 107.02 3dby n GLY 251 Ca -0.14 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 3dby n GLY 251 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 252 N -0.20 3.88 0.42 0.99 1.43 -0.36 -5.06 118.68 119.78 3dby s LEU 252 Ca 0.00 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.59 3dby s LEU 252 Cb 0.00 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 3dby s LEU 252 CO 0.00 -0.26 1.30 -1.61 0.23 0.00 0.00 176.35 176.02 3dby s GLU 253 N -4.01 3.87 0.35 1.70 2.02 -1.26 -4.56 118.70 116.82 3dby s GLU 253 Ca 0.39 2.15 -0.28 0.00 0.02 0.00 0.00 54.97 57.25 3dby s GLU 253 Cb -0.08 -2.69 -0.11 0.00 0.10 0.00 0.00 34.13 31.36 3dby s GLU 253 CO 0.28 -0.57 1.47 -1.64 0.02 0.00 0.00 175.26 174.82 3dby s MET 254 N -2.34 4.15 0.62 1.61 -1.94 -1.26 -4.81 119.30 115.34 3dby s MET 254 Ca 0.59 2.51 -0.13 0.00 -1.71 0.00 0.00 55.69 56.94 3dby s MET 254 Cb -0.38 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.44 3dby s MET 254 CO 0.48 -0.49 1.04 -1.25 -0.01 0.00 0.00 175.02 174.80 3dby s PRO 255 N -1.78 3.31 -1.13 2.03 0.04 -1.26 -4.96 135.00 131.25 3dby s PRO 255 Ca 0.54 1.01 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 3dby s PRO 255 Cb -0.45 -2.04 0.28 0.00 0.04 0.00 0.00 34.50 32.32 3dby s PRO 255 CO 0.59 -0.80 1.54 1.63 0.04 0.00 0.00 177.00 180.00 3dby n LYS 256 N -2.46 4.22 -3.92 4.56 4.01 -1.26 -4.92 118.16 118.38 3dby n LYS 256 Ca 0.08 -4.32 -0.09 0.00 -0.51 0.00 0.00 58.31 53.46 3dby n LYS 256 Cb 0.53 -2.61 -0.07 0.00 -0.51 0.00 0.00 35.03 32.37 3dby n LYS 256 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3dby s ASN 258 N -2.92 4.64 0.00 0.00 2.47 -1.26 -4.97 114.94 112.90 3dby s ASN 258 Ca 0.12 -1.60 0.15 0.00 0.42 0.00 0.00 52.86 51.95 3dby s ASN 258 Cb 0.04 -1.61 0.71 0.00 -1.45 0.00 0.00 41.25 38.94 3dby s ASN 258 CO -0.05 -0.27 1.45 -0.81 -3.72 0.00 0.00 177.10 173.71 3dby n PRO 259 N 4.43 0.12 -0.02 0.43 -0.04 -1.26 -2.75 135.00 135.90 3dby n PRO 259 Ca -0.09 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3dby n PRO 259 Cb 0.42 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.22 3dby n PRO 259 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3dby n LEU 260 N -1.39 0.00 0.00 1.53 4.77 -1.26 -4.78 117.00 115.87 3dby n LEU 260 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3dby n LEU 260 Cb 0.15 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3dby n LEU 260 CO 0.13 0.04 0.00 -0.62 -1.33 0.00 0.00 177.39 175.61