#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 0.91 -0.20 -2.53 5.03 -1.94 -2.70 116.97 115.54 3dby h TYR 6 Ca 0.00 -0.08 0.04 0.00 2.58 0.00 0.00 58.73 61.27 3dby h TYR 6 Cb 0.00 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 37.97 3dby h TYR 6 CO 0.00 0.74 -0.07 1.49 -1.32 0.00 0.00 178.16 179.01 3dby h GLU 7 N 0.82 -0.03 -0.11 1.82 4.57 -1.98 0.64 114.58 120.30 3dby h GLU 7 Ca 0.19 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3dby h GLU 7 Cb 0.23 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3dby h GLU 7 CO -0.01 -0.02 -0.06 0.93 -1.18 0.00 0.00 179.01 178.67 3dby h GLU 8 N -0.03 0.24 -0.59 1.92 5.08 -1.99 -1.75 114.58 117.47 3dby h GLU 8 Ca 0.10 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3dby h GLU 8 Cb 0.18 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 3dby h GLU 8 CO -0.22 0.60 -0.15 1.03 -1.00 0.00 0.00 179.01 179.27 3dby h SER 9 N -0.12 -0.54 -0.30 1.42 0.87 -1.31 -1.53 113.55 112.04 3dby h SER 9 Ca 0.02 0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 3dby h SER 9 Cb 0.53 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 3dby h SER 9 CO 0.02 -0.19 -0.15 0.00 -0.53 0.00 0.00 176.83 175.98 3dby h ALA 10 N 1.59 0.43 -0.72 6.23 0.00 -0.79 -1.85 119.26 124.15 3dby h ALA 10 Ca 0.28 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dby h ALA 10 Cb 0.43 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3dby h ALA 10 CO -0.61 0.32 0.42 -0.07 0.00 0.00 0.00 179.25 179.32 3dby h LEU 11 N 0.39 0.65 0.40 0.00 4.07 -1.13 -1.09 115.31 118.60 3dby h LEU 11 Ca 0.07 0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 3dby h LEU 11 Cb 0.67 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3dby h LEU 11 CO 0.04 0.43 -0.19 0.15 -1.08 0.00 0.00 178.44 177.79 3dby h PHE 12 N 0.79 -0.50 -0.25 1.13 3.57 -1.13 -1.91 116.94 118.64 3dby h PHE 12 Ca 0.31 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.83 3dby h PHE 12 Cb 0.14 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3dby h PHE 12 CO -0.06 -0.18 0.05 0.93 -2.23 0.00 0.00 178.31 176.82 3dby h GLU 13 N -0.86 0.14 -0.31 1.11 4.39 -1.34 -1.52 114.58 116.18 3dby h GLU 13 Ca -0.06 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3dby h GLU 13 Cb 0.55 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3dby h GLU 13 CO 0.09 0.09 0.16 0.45 -1.16 0.00 0.00 179.01 178.64 3dby h HIS 14 N 0.15 0.45 -0.44 4.33 3.86 -1.25 0.09 115.15 122.33 3dby h HIS 14 Ca 0.11 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3dby h HIS 14 Cb 0.11 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 3dby h HIS 14 CO -0.16 0.38 0.22 1.96 0.86 0.00 0.00 177.93 181.20 3dby h GLN 15 N 0.38 0.63 0.27 2.45 4.20 -1.29 -1.09 115.11 120.65 3dby h GLN 15 Ca 0.11 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dby h GLN 15 Cb 0.10 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3dby h GLN 15 CO -0.02 0.53 -0.22 0.35 -0.67 0.00 0.00 178.83 178.80 3dby h PHE 16 N 0.57 -0.58 -0.00 2.96 3.57 -1.12 -2.79 116.94 119.55 3dby h PHE 16 Ca 0.15 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.42 3dby h PHE 16 Cb 0.10 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3dby h PHE 16 CO -0.01 -0.33 -0.95 -1.49 -2.23 0.00 0.00 178.31 173.29 3dby h TRP 17 N -0.50 0.67 0.00 0.41 -0.00 -1.01 -2.20 115.95 113.32 3dby h TRP 17 Ca -0.01 -0.37 -0.09 0.00 -0.00 0.00 0.00 58.89 58.42 3dby h TRP 17 Cb 0.45 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.52 3dby h TRP 17 CO -0.13 1.19 -0.44 -0.07 -0.00 0.00 0.00 178.44 178.98 3dby h LEU 18 N 0.26 0.00 -0.18 -4.49 3.38 -1.31 0.04 115.31 113.01 3dby h LEU 18 Ca -0.09 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 3dby h LEU 18 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 3dby h LEU 18 CO 0.17 0.44 -0.54 0.50 0.09 0.00 0.00 178.44 179.10 3dby h LYS 19 N 0.00 0.69 -0.82 1.13 1.63 -1.43 -2.19 116.57 115.59 3dby h LYS 19 Ca -0.00 -0.50 0.04 0.00 -0.85 0.00 0.00 60.65 59.34 3dby h LYS 19 Cb 0.99 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 32.65 3dby h LYS 19 CO 0.06 1.12 0.52 0.28 -3.45 0.00 0.00 179.45 177.98 3dby h VAL 20 N 0.39 1.11 -0.07 2.00 2.07 -1.22 -0.88 116.25 119.65 3dby h VAL 20 Ca -0.02 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 66.99 3dby h VAL 20 Cb 1.16 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3dby h VAL 20 CO 0.12 0.18 -0.70 -0.07 0.02 0.00 0.00 177.57 177.12 3dby h LEU 21 N 1.00 0.40 -0.48 2.57 3.38 -0.97 -0.06 115.31 121.15 3dby h LEU 21 Ca 0.33 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3dby h LEU 21 Cb 0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3dby h LEU 21 CO -0.12 0.97 0.15 0.74 0.09 0.00 0.00 178.44 180.27 3dby h THR 22 N 0.23 1.23 -0.13 0.22 2.02 -1.22 -1.71 112.91 113.55 3dby h THR 22 Ca -0.02 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3dby h THR 22 Cb 1.26 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 3dby h THR 22 CO 0.12 0.27 -0.21 0.44 0.37 0.00 0.00 175.52 176.51 3dby h ASP 23 N 0.64 -0.65 -0.41 4.18 3.45 -0.99 -1.45 116.42 121.19 3dby h ASP 23 Ca 0.16 0.11 0.07 0.00 0.43 0.00 0.00 57.03 57.80 3dby h ASP 23 Cb 0.27 0.30 -0.07 0.00 -0.56 0.00 0.00 39.33 39.27 3dby h ASP 23 CO -0.01 -0.26 -0.00 0.45 -1.57 0.00 0.00 179.24 177.85 3dby h HIS 24 N -0.27 -0.03 -0.46 4.55 3.86 -0.72 -0.17 115.15 121.92 3dby h HIS 24 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3dby h HIS 24 Cb 0.42 0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3dby h HIS 24 CO -0.32 -0.08 0.26 0.00 0.86 0.00 0.00 177.93 178.65 3dby h ALA 25 N 1.36 0.59 -0.28 2.45 0.00 -1.25 -0.57 119.26 121.56 3dby h ALA 25 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dby h ALA 25 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dby h ALA 25 CO -0.34 0.10 0.16 0.37 0.00 0.00 0.00 179.25 179.55 3dby h GLN 26 N 0.61 0.32 -0.61 0.00 5.75 -0.98 0.26 115.11 120.46 3dby h GLN 26 Ca 0.16 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3dby h GLN 26 Cb 0.03 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3dby h GLN 26 CO -0.03 0.21 0.07 0.74 -2.65 0.00 0.00 178.83 177.17 3dby h PHE 27 N 0.33 1.11 -0.29 3.99 0.04 -0.82 -1.79 116.94 119.51 3dby h PHE 27 Ca 0.11 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 3dby h PHE 27 Cb 0.00 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.84 3dby h PHE 27 CO -0.08 0.96 0.10 -0.07 -0.60 0.00 0.00 178.31 178.62 3dby h LEU 28 N 0.94 0.41 -0.27 1.54 3.38 -1.00 -1.52 115.31 118.79 3dby h LEU 28 Ca 0.18 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dby h LEU 28 Cb 0.47 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 3dby h LEU 28 CO 0.02 0.48 -0.21 0.25 0.09 0.00 0.00 178.44 179.07 3dby h LEU 29 N 0.31 -0.68 -1.17 1.67 5.85 -0.71 -1.79 115.31 118.79 3dby h LEU 29 Ca 0.09 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dby h LEU 29 Cb 0.21 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3dby h LEU 29 CO -0.01 -0.25 -0.05 0.44 -0.34 0.00 0.00 178.44 178.24 3dby h ASP 30 N -0.20 0.00 1.12 1.25 3.45 -1.29 -3.16 116.42 117.60 3dby h ASP 30 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3dby h ASP 30 Cb 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3dby h ASP 30 CO -0.38 0.05 -0.59 0.00 -1.57 0.00 0.00 179.24 176.74 3dby h ALA 31 N 1.95 0.65 -2.81 3.45 0.00 -0.48 -3.47 119.26 118.56 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 0.64 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.47 3dby h ALA 31 CO 0.01 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.28 3dby s LEU 32 N -4.89 4.44 0.35 0.00 1.43 -0.75 -0.61 118.68 118.65 3dby s LEU 32 Ca 0.05 2.42 -0.28 0.00 -1.03 0.00 0.00 54.13 55.28 3dby s LEU 32 Cb 0.11 -3.72 -0.10 0.00 0.03 0.00 0.00 46.19 42.51 3dby s LEU 32 CO 0.72 -0.38 1.33 0.00 0.23 0.00 0.00 176.35 178.26 3dby s ALA 33 N -1.21 3.47 0.50 4.21 0.00 -0.65 -4.90 121.76 123.18 3dby s ALA 33 Ca 0.48 1.31 0.34 0.00 0.00 0.00 0.00 51.96 54.09 3dby s ALA 33 Cb -0.34 -3.50 1.47 0.00 0.00 0.00 0.00 23.12 20.75 3dby s ALA 33 CO 0.44 -0.74 1.74 -1.35 0.00 0.00 0.00 175.76 175.86 3dby h PRO 34 N 3.21 0.09 0.00 0.00 0.11 -1.94 0.20 132.00 133.67 3dby h PRO 34 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dby h PRO 34 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dby h PRO 34 CO 0.65 0.06 0.00 0.36 -0.21 0.00 0.00 178.00 178.86 3dby n LYS 35 N -4.31 0.06 -1.69 1.05 2.85 -1.26 -4.07 118.16 110.80 3dby n LYS 35 Ca 0.30 0.33 -0.40 0.00 -1.05 0.00 0.00 58.31 57.48 3dby n LYS 35 Cb 1.30 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 34.04 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 -1.73 4.07 -0.12 -1.58 -0.58 0.70 -4.78 120.64 116.63 3dby n GLU 36 Ca 0.03 -2.85 -0.07 0.00 -0.42 0.00 0.00 57.16 53.84 3dby n GLU 36 Cb 0.17 -2.75 -0.01 0.00 -0.57 0.00 0.00 31.44 28.28 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 4.90 -0.23 -0.46 3.49 1.79 -1.83 -1.42 116.57 122.81 3dby h LYS 37 Ca 0.76 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 59.19 3dby h LYS 37 Cb 0.32 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3dby h LYS 37 CO 1.65 -0.15 0.04 0.93 -1.08 0.00 0.00 179.45 180.83 3dby h GLU 38 N -0.24 0.78 0.00 3.15 4.39 -1.96 -2.10 114.58 118.61 3dby h GLU 38 Ca 0.18 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3dby h GLU 38 Cb 0.53 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3dby h GLU 38 CO -0.54 0.82 -0.28 -0.44 -1.16 0.00 0.00 179.01 177.41 3dby h ASP 39 N 0.64 0.00 -0.46 1.42 3.32 -1.93 -1.71 116.42 117.69 3dby h ASP 39 Ca 0.13 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3dby h ASP 39 Cb 0.44 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3dby h ASP 39 CO 0.02 0.28 0.12 0.40 -1.72 0.00 0.00 179.24 178.34 3dby h ILE 40 N 0.00 1.23 -0.42 0.35 2.04 -0.78 -0.43 117.51 119.51 3dby h ILE 40 Ca -0.00 -0.79 0.07 0.00 1.00 0.00 0.00 64.86 65.13 3dby h ILE 40 Cb 0.58 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3dby h ILE 40 CO 0.04 0.28 0.07 0.11 0.00 0.00 0.00 178.15 178.65 3dby h LYS 41 N 0.61 0.19 0.25 2.37 1.57 -1.10 -0.46 116.57 120.00 3dby h LYS 41 Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3dby h LYS 41 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3dby h LYS 41 CO -0.00 0.13 -0.12 0.87 -0.57 0.00 0.00 179.45 179.76 3dby h LYS 42 N 0.20 -0.33 -0.63 3.15 1.57 -1.09 -0.45 116.57 118.99 3dby h LYS 42 Ca 0.20 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 3dby h LYS 42 Cb 0.25 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 3dby h LYS 42 CO -0.28 -0.22 0.29 0.00 -0.57 0.00 0.00 179.45 178.68 3dby h ALA 43 N 0.41 0.84 0.09 3.86 0.00 -1.02 0.32 119.26 123.77 3dby h ALA 43 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 43 Cb 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dby h ALA 43 CO 0.06 -0.10 -0.06 1.15 0.00 0.00 0.00 179.25 180.30 3dby h THR 44 N 0.52 0.87 -0.95 0.00 2.02 -1.04 0.21 112.91 114.55 3dby h THR 44 Ca 0.31 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.65 3dby h THR 44 Cb 0.31 0.87 -0.10 0.00 -1.74 0.00 0.00 68.15 67.49 3dby h THR 44 CO -0.25 0.00 0.55 0.22 0.37 0.00 0.00 175.52 176.40 3dby h TYR 45 N -0.15 0.97 -0.17 3.16 3.20 -0.66 -2.39 116.97 120.93 3dby h TYR 45 Ca -0.01 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.76 3dby h TYR 45 Cb 0.13 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3dby h TYR 45 CO -0.09 0.25 -0.48 0.74 -1.64 0.00 0.00 178.16 176.94 3dby h PHE 46 N 0.75 0.54 0.30 -3.82 0.04 0.53 -1.88 116.94 113.40 3dby h PHE 46 Ca 0.52 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 61.12 3dby h PHE 46 Cb 0.74 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.77 3dby h PHE 46 CO -0.04 0.84 -0.26 0.28 -0.60 0.00 0.00 178.31 178.53 3dby h VAL 47 N 0.36 0.44 -0.59 -0.55 2.07 -0.50 -2.18 116.25 115.29 3dby h VAL 47 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3dby h VAL 47 Cb 0.97 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3dby h VAL 47 CO 0.09 0.00 0.37 1.05 0.02 0.00 0.00 177.57 179.09 3dby h GLU 48 N -0.58 0.79 -0.04 1.57 9.09 -1.46 -1.72 114.58 122.24 3dby h GLU 48 Ca -0.02 -0.06 0.04 0.00 0.05 0.00 0.00 59.36 59.37 3dby h GLU 48 Cb 0.52 -0.17 -0.05 0.00 -1.65 0.00 0.00 28.75 27.40 3dby h GLU 48 CO -0.04 0.56 -0.31 1.15 0.05 0.00 0.00 179.01 180.41 3dby h THR 49 N 0.80 0.31 -0.01 -1.06 2.02 -1.26 0.13 112.91 113.82 3dby h THR 49 Ca 0.21 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.21 3dby h THR 49 Cb -0.04 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3dby h THR 49 CO -0.04 0.00 -0.80 -0.26 0.37 0.00 0.00 175.52 174.79 3dby h PHE 50 N -0.44 0.26 0.39 3.16 0.04 -1.37 -1.72 116.94 117.26 3dby h PHE 50 Ca 0.07 -0.13 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3dby h PHE 50 Cb 0.55 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 3dby h PHE 50 CO -0.36 0.90 -0.21 1.15 -0.60 0.00 0.00 178.31 179.19 3dby h THR 51 N 0.11 0.57 -0.48 -1.55 2.02 -1.16 -0.89 112.91 111.52 3dby h THR 51 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3dby h THR 51 Cb 1.39 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3dby h THR 51 CO 0.12 0.00 -0.06 0.78 0.37 0.00 0.00 175.52 176.73 3dby h ASN 52 N -0.56 -0.32 -0.59 4.18 2.35 -0.64 0.16 115.58 120.16 3dby h ASN 52 Ca -0.05 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3dby h ASN 52 Cb 0.44 0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3dby h ASN 52 CO 0.07 -0.11 0.34 -0.07 -1.65 0.00 0.00 177.43 176.00 3dby h LEU 53 N 0.06 0.72 0.16 1.61 3.38 -1.10 -2.10 115.31 118.03 3dby h LEU 53 Ca 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3dby h LEU 53 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3dby h LEU 53 CO -0.45 0.59 -0.08 0.25 0.09 0.00 0.00 178.44 178.84 3dby h LEU 54 N 0.80 -0.18 -1.24 1.67 5.85 -0.72 -2.08 115.31 119.41 3dby h LEU 54 Ca 0.21 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.08 3dby h LEU 54 Cb 0.01 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3dby h LEU 54 CO -0.04 -0.10 0.60 0.78 -0.34 0.00 0.00 178.44 179.35 3dby h ASN 55 N -0.25 0.65 -0.61 1.25 -0.26 -0.64 -1.38 115.58 114.35 3dby h ASN 55 Ca -0.02 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3dby h ASN 55 Cb 0.19 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3dby h ASN 55 CO 0.04 0.28 0.00 2.29 -1.06 0.00 0.00 177.43 178.98 3dby n LYS 56 N -4.61 2.66 -0.11 0.81 2.85 -0.82 -4.47 118.16 114.47 3dby n LYS 56 Ca 0.20 -2.30 0.08 0.00 -1.05 0.00 0.00 58.31 55.24 3dby n LYS 56 Cb 0.56 -1.56 0.42 0.00 -0.65 0.00 0.00 35.03 33.79 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 3.63 1.00 -0.01 0.58 3.04 -0.57 -2.34 116.25 121.58 3dby h VAL 57 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3dby h VAL 57 Cb 0.94 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3dby h VAL 57 CO 0.05 0.11 -0.01 0.54 -1.01 0.00 0.00 177.57 177.25 3dby n ARG 58 N -4.48 1.37 -0.12 4.17 1.74 -1.26 -4.08 116.66 114.01 3dby n ARG 58 Ca 0.09 -0.59 0.06 0.00 -0.77 0.00 0.00 57.85 56.64 3dby n ARG 58 Cb 0.24 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.28 3dby n ARG 58 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3dby n ASN 59 N -0.30 1.85 -4.45 0.55 3.02 -0.88 -5.06 115.26 109.99 3dby n ASN 59 Ca 0.20 -2.64 -0.22 0.00 -0.03 0.00 0.00 54.58 51.89 3dby n ASN 59 Cb 0.27 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 3dby n ASN 59 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3dby s VAL 60 N -2.00 1.24 0.05 2.41 -7.23 -1.25 -5.09 120.40 108.53 3dby s VAL 60 Ca 0.20 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 3dby s VAL 60 Cb 0.18 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 3dby s VAL 60 CO 0.02 -0.03 1.35 0.21 -0.31 0.00 0.00 175.10 176.34 3dby s ASN 61 N -3.49 6.89 0.31 4.85 3.84 -1.26 -4.93 114.94 121.16 3dby s ASN 61 Ca 0.36 2.15 0.15 0.00 0.21 0.00 0.00 52.86 55.73 3dby s ASN 61 Cb 0.08 -2.57 0.38 0.00 -0.55 0.00 0.00 41.25 38.59 3dby s ASN 61 CO 0.15 -0.64 1.59 -0.07 -2.79 0.00 0.00 177.10 175.34 3dby h LEU 62 N 7.54 0.00 -0.03 3.21 3.38 -1.97 -1.04 115.31 126.39 3dby h LEU 62 Ca -0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3dby h LEU 62 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3dby h LEU 62 CO 0.87 0.52 -0.03 0.24 0.09 0.00 0.00 178.44 180.12 3dby h MET 63 N 0.00 0.08 -0.21 1.13 2.86 -1.88 0.78 114.93 117.68 3dby h MET 63 Ca -0.01 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3dby h MET 63 Cb 1.15 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3dby h MET 63 CO 0.07 0.55 -0.04 0.00 1.06 0.00 0.00 176.91 178.54 3dby h ALA 64 N 0.52 1.54 -0.33 6.32 0.00 -1.88 -2.74 119.26 122.69 3dby h ALA 64 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3dby h ALA 64 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dby h ALA 64 CO 0.01 0.34 -0.22 0.35 0.00 0.00 0.00 179.25 179.73 3dby h PHE 65 N 0.31 0.85 -0.59 0.00 3.57 -1.03 -2.77 116.94 117.27 3dby h PHE 65 Ca 0.07 -0.23 0.12 0.00 3.53 0.00 0.00 57.97 61.46 3dby h PHE 65 Cb 0.28 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3dby h PHE 65 CO 0.01 0.96 0.41 0.77 -2.23 0.00 0.00 178.31 178.22 3dby h SER 66 N 0.50 0.26 -0.08 0.41 0.02 -0.56 -0.81 113.55 113.28 3dby h SER 66 Ca 0.07 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 3dby h SER 66 Cb 0.77 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3dby h SER 66 CO 0.06 0.15 -0.49 0.11 -1.14 0.00 0.00 176.83 175.51 3dby h LYS 67 N 0.28 0.65 0.02 3.45 6.56 -1.22 -2.27 116.57 124.04 3dby h LYS 67 Ca 0.28 -0.38 -0.22 0.00 -1.06 0.00 0.00 60.65 59.27 3dby h LYS 67 Cb 0.73 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.41 3dby h LYS 67 CO -0.06 0.99 -0.96 1.49 -2.06 0.00 0.00 179.45 178.85 3dby h GLU 68 N 0.51 0.28 -0.12 3.15 4.81 -1.18 -2.93 114.58 119.10 3dby h GLU 68 Ca 0.02 -0.32 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 3dby h GLU 68 Cb 1.04 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3dby h GLU 68 CO 0.10 1.05 -0.36 0.00 -0.73 0.00 0.00 179.01 179.07 3dby h ALA 69 N 0.83 1.18 -0.20 2.92 0.00 -1.15 -2.64 119.26 120.19 3dby h ALA 69 Ca -0.07 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3dby h ALA 69 Cb 1.61 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3dby h ALA 69 CO 0.15 0.55 -0.33 1.49 0.00 0.00 0.00 179.25 181.11 3dby h GLU 70 N 0.21 0.58 -0.21 0.00 4.81 -1.36 -0.92 114.58 117.69 3dby h GLU 70 Ca 0.02 -0.35 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 3dby h GLU 70 Cb 0.73 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 3dby h GLU 70 CO 0.06 0.96 -0.17 0.37 -0.73 0.00 0.00 179.01 179.50 3dby h GLN 71 N 0.25 -0.17 -0.52 1.92 5.75 -1.43 0.14 115.11 121.05 3dby h GLN 71 Ca 0.02 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 3dby h GLN 71 Cb 0.92 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 3dby h GLN 71 CO 0.08 -0.11 0.21 0.00 -2.65 0.00 0.00 178.83 176.36 3dby h ALA 72 N 0.94 1.40 -0.26 3.38 0.00 -1.43 -0.90 119.26 122.39 3dby h ALA 72 Ca 0.12 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3dby h ALA 72 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dby h ALA 72 CO -0.31 0.46 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 3dby h ALA 73 N 1.50 0.38 -0.23 0.00 0.00 -0.43 -2.03 119.26 118.46 3dby h ALA 73 Ca 0.18 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3dby h ALA 73 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3dby h ALA 73 CO -0.02 0.42 -0.19 0.87 0.00 0.00 0.00 179.25 180.33 3dby h LYS 74 N 0.39 0.40 -0.51 0.00 1.57 -0.56 -0.68 116.57 117.18 3dby h LYS 74 Ca 0.03 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3dby h LYS 74 Cb 0.90 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3dby h LYS 74 CO 0.08 0.58 0.15 0.93 -0.57 0.00 0.00 179.45 180.62 3dby h GLU 75 N 0.36 0.79 0.00 3.15 5.08 -1.08 -1.78 114.58 121.10 3dby h GLU 75 Ca 0.06 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3dby h GLU 75 Cb 0.55 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3dby h GLU 75 CO 0.04 0.74 -0.13 0.97 -1.00 0.00 0.00 179.01 179.62 3dby h ILE 76 N 0.69 0.24 0.19 3.13 2.10 -0.88 -0.92 117.51 122.06 3dby h ILE 76 Ca 0.16 -1.29 -0.01 0.00 1.08 0.00 0.00 64.86 64.80 3dby h ILE 76 Cb 0.28 2.08 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 3dby h ILE 76 CO -0.00 0.13 -0.09 -0.09 -1.08 0.00 0.00 178.15 177.02 3dby h ARG 77 N 0.00 -0.25 -0.92 2.19 2.43 -1.07 -1.97 114.38 114.79 3dby h ARG 77 Ca -0.00 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3dby h ARG 77 Cb 1.07 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.61 3dby h ARG 77 CO 0.02 0.02 0.58 0.00 -1.51 0.00 0.00 179.97 179.08 3dby h ALA 78 N 0.24 1.28 0.17 2.80 0.00 -1.08 -0.75 119.26 121.93 3dby h ALA 78 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dby h ALA 78 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dby h ALA 78 CO 0.04 0.32 -0.10 0.35 0.00 0.00 0.00 179.25 179.86 3dby h PHE 79 N 1.03 -0.27 -0.53 0.00 3.57 -1.17 -1.46 116.94 118.12 3dby h PHE 79 Ca 0.41 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.99 3dby h PHE 79 Cb 0.21 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 3dby h PHE 79 CO -0.02 -0.17 0.14 0.87 -2.23 0.00 0.00 178.31 176.90 3dby h LYS 80 N -0.27 0.28 -0.02 1.11 1.57 -1.00 -2.00 116.57 116.24 3dby h LYS 80 Ca -0.01 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3dby h LYS 80 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3dby h LYS 80 CO 0.01 0.19 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.66 3dby h LEU 81 N 0.29 0.04 -0.73 2.94 3.38 -1.03 -1.50 115.31 118.71 3dby h LEU 81 Ca 0.26 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 3dby h LEU 81 Cb 0.34 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dby h LEU 81 CO -0.31 0.40 -0.13 -1.13 0.09 0.00 0.00 178.44 177.35 3dby h ASN 82 N 0.04 0.83 -0.06 -0.43 -1.24 -0.62 -1.43 115.58 112.66 3dby h ASN 82 Ca 0.00 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.74 3dby h ASN 82 Cb 0.64 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.47 3dby h ASN 82 CO 0.05 0.97 0.02 0.40 -1.29 0.00 0.00 177.43 177.57 3dby h ILE 83 N 0.75 1.19 -0.62 2.57 2.04 -0.70 -1.52 117.51 121.21 3dby h ILE 83 Ca 0.12 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.44 3dby h ILE 83 Cb 0.64 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3dby h ILE 83 CO 0.04 0.16 0.39 0.40 0.00 0.00 0.00 178.15 179.14 3dby h ILE 84 N -0.11 1.09 -0.61 -0.67 2.04 -1.20 0.99 117.51 119.03 3dby h ILE 84 Ca 0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3dby h ILE 84 Cb 0.24 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3dby h ILE 84 CO 0.00 0.14 0.41 -0.61 0.00 0.00 0.00 178.15 178.09 3dby h GLN 85 N 0.77 0.81 -0.04 2.37 4.15 -1.18 -0.29 115.11 121.70 3dby h GLN 85 Ca 0.25 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3dby h GLN 85 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3dby h GLN 85 CO -0.09 0.53 -0.26 0.87 -1.93 0.00 0.00 178.83 177.95 3dby h LYS 86 N 0.83 0.06 0.16 1.69 1.57 -0.59 -2.59 116.57 117.71 3dby h LYS 86 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3dby h LYS 86 Cb -0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3dby h LYS 86 CO -0.05 0.33 -0.08 1.96 -0.57 0.00 0.00 179.45 181.04 3dby h GLN 87 N 0.06 -0.21 0.00 3.15 4.20 0.16 0.44 115.11 122.90 3dby h GLN 87 Ca 0.01 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dby h GLN 87 Cb 0.50 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3dby h GLN 87 CO 0.04 0.02 0.11 -0.07 -0.67 0.00 0.00 178.83 178.25 3dby h LEU 88 N -0.42 0.00 -2.75 1.46 3.38 -0.86 -2.29 115.31 113.82 3dby h LEU 88 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dby h LEU 88 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3dby h LEU 88 CO 0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.95 3dby n GLU 89 N -2.90 2.67 -2.55 1.13 1.02 -1.00 -4.98 120.64 114.03 3dby n GLU 89 Ca -0.02 -1.99 -0.13 0.00 -0.02 0.00 0.00 57.16 55.00 3dby n GLU 89 Cb 0.16 -1.27 0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.55 -0.05 0.58 0.62 0.00 -0.64 -4.94 105.19 101.30 3dby n GLY 90 Ca 0.11 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.49 2.53 -3.75 1.61 5.02 0.14 -4.98 118.16 116.24 3dby n LYS 91 Ca -0.09 -2.54 -0.13 0.00 -2.02 0.00 0.00 58.31 53.52 3dby n LYS 91 Cb 0.58 -1.60 -0.09 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.40 0.04 -0.34 -0.18 2.07 -1.25 -4.92 121.20 114.23 3dby s ILE 92 Ca 0.33 -0.29 -0.07 0.00 -1.41 0.00 0.00 60.65 59.20 3dby s ILE 92 Cb 0.26 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 42.30 3dby s ILE 92 CO 0.08 -0.16 0.12 -0.89 -1.91 0.00 0.00 174.94 172.18 3dby s THR 93 N -0.80 3.99 0.01 4.00 2.01 -1.26 -4.87 115.64 118.73 3dby s THR 93 Ca -0.09 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.92 3dby s THR 93 Cb -0.04 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 3dby s THR 93 CO 0.03 -0.14 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.29 3dby s ILE 94 N 1.45 0.08 -0.60 1.82 2.07 -1.26 -1.63 121.20 123.13 3dby s ILE 94 Ca -0.00 -0.44 -0.02 0.00 -1.41 0.00 0.00 60.65 58.78 3dby s ILE 94 Cb -0.19 -0.15 0.38 0.00 0.13 0.00 0.00 42.46 42.63 3dby s ILE 94 CO 0.04 -0.23 2.06 1.41 -1.91 0.00 0.00 174.94 176.30 3dby n HIS 95 N 2.37 2.78 -4.41 3.50 8.25 0.22 -4.82 115.22 123.11 3dby n HIS 95 Ca -0.18 -2.71 -0.24 0.00 -0.26 0.00 0.00 57.72 54.34 3dby n HIS 95 Cb 0.58 -1.32 -0.13 0.00 1.12 0.00 0.00 29.99 30.23 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 -3.32 1.68 0.66 4.41 2.99 -1.26 -5.00 117.98 118.14 3dby s PHE 96 Ca 0.56 -0.40 -0.11 0.00 0.00 0.00 0.00 56.93 56.98 3dby s PHE 96 Cb 0.44 -0.96 -0.01 0.00 0.00 0.00 0.00 43.02 42.49 3dby s PHE 96 CO -0.04 0.13 1.05 0.95 -0.00 0.00 0.00 175.22 177.31 3dby s THR 97 N -1.00 4.26 0.43 0.64 -4.23 -1.26 -4.93 115.64 109.55 3dby s THR 97 Ca 0.05 0.73 0.09 0.00 -1.18 0.00 0.00 61.69 61.39 3dby s THR 97 Cb -0.09 -3.63 0.25 0.00 1.34 0.00 0.00 72.50 70.36 3dby s THR 97 CO 0.03 -0.96 2.05 -0.65 -0.54 0.00 0.00 174.62 174.55 3dby h PRO 98 N -0.53 0.37 -0.25 3.99 0.11 -1.98 -2.31 132.00 131.40 3dby h PRO 98 Ca -0.44 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 3dby h PRO 98 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3dby h PRO 98 CO 0.60 0.28 -0.44 1.15 -0.21 0.00 0.00 178.00 179.39 3dby h THR 99 N 0.37 1.30 -0.28 -1.15 2.02 -1.98 0.20 112.91 113.39 3dby h THR 99 Ca 0.10 -1.63 -0.00 0.00 0.77 0.00 0.00 66.41 65.65 3dby h THR 99 Cb 0.03 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3dby h THR 99 CO -0.01 0.52 0.17 0.15 0.37 0.00 0.00 175.52 176.71 3dby h PHE 100 N 0.50 0.37 -0.44 3.16 3.57 -1.80 0.70 116.94 122.99 3dby h PHE 100 Ca 0.04 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3dby h PHE 100 Cb 0.97 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3dby h PHE 100 CO 0.04 0.27 -0.10 0.82 -2.23 0.00 0.00 178.31 177.11 3dby h ILE 101 N 0.35 1.26 -0.83 1.41 2.04 -1.43 -1.19 117.51 119.12 3dby h ILE 101 Ca 0.10 -1.17 0.14 0.00 1.00 0.00 0.00 64.86 64.93 3dby h ILE 101 Cb 0.01 1.03 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 3dby h ILE 101 CO -0.02 0.40 0.42 -1.13 0.00 0.00 0.00 178.15 177.83 3dby h ASN 102 N 0.72 0.52 -0.06 1.72 -1.24 -0.13 0.18 115.58 117.30 3dby h ASN 102 Ca 0.12 0.09 -0.11 0.00 0.71 0.00 0.00 56.30 57.11 3dby h ASN 102 Cb 0.59 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 3dby h ASN 102 CO 0.04 0.23 -0.29 0.45 -1.29 0.00 0.00 177.43 176.56 3dby h HIS 103 N 0.62 0.58 -0.67 0.67 3.86 -0.37 -1.40 115.15 118.45 3dby h HIS 103 Ca 0.45 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.54 3dby h HIS 103 Cb 0.61 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3dby h HIS 103 CO -0.10 0.75 0.43 0.52 0.86 0.00 0.00 177.93 180.40 3dby h MET 104 N 0.44 0.84 -0.22 2.45 2.86 0.11 -1.81 114.93 119.62 3dby h MET 104 Ca 0.06 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3dby h MET 104 Cb 0.74 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3dby h MET 104 CO 0.06 0.56 0.02 0.28 1.06 0.00 0.00 176.91 178.88 3dby h VAL 105 N 0.87 0.87 -0.97 -2.22 2.07 -0.32 -1.17 116.25 115.37 3dby h VAL 105 Ca 0.26 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.84 3dby h VAL 105 Cb -0.05 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 3dby h VAL 105 CO -0.08 0.02 0.62 0.78 0.02 0.00 0.00 177.57 178.93 3dby h ASN 106 N 0.09 0.93 0.62 0.57 2.35 -0.98 -1.81 115.58 117.36 3dby h ASN 106 Ca 0.10 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3dby h ASN 106 Cb 0.11 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.32 3dby h ASN 106 CO -0.15 0.55 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.55 3dby h GLU 107 N 1.03 -0.81 -0.67 0.81 5.08 -0.93 -2.24 114.58 116.85 3dby h GLU 107 Ca 0.45 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 59.04 3dby h GLU 107 Cb 0.35 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3dby h GLU 107 CO -0.21 -0.49 0.47 -0.24 -1.00 0.00 0.00 179.01 177.54 3dby h VAL 108 N -1.10 0.71 0.00 3.13 3.04 -1.14 0.12 116.25 121.01 3dby h VAL 108 Ca -0.09 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.53 3dby h VAL 108 Cb 0.69 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3dby h VAL 108 CO 0.14 0.02 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.25 3dby h GLU 109 N 0.12 0.00 -0.08 4.17 5.08 -1.16 -1.26 114.58 121.45 3dby h GLU 109 Ca 0.32 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.45 3dby h GLU 109 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.38 3dby h GLU 109 CO -0.04 0.14 -0.88 0.93 -1.00 0.00 0.00 179.01 178.16 3dby h GLU 110 N 0.00 0.70 0.20 2.33 4.39 -0.15 -2.42 114.58 119.63 3dby h GLU 110 Ca -0.00 -0.64 -0.01 0.00 0.34 0.00 0.00 59.36 59.04 3dby h GLU 110 Cb 0.74 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3dby h GLU 110 CO 0.02 1.25 -0.10 -0.92 -1.16 0.00 0.00 179.01 178.10 3dby h TYR 111 N 0.44 -0.25 -1.00 4.33 3.20 -1.28 -2.35 116.97 120.06 3dby h TYR 111 Ca -0.08 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 61.96 3dby h TYR 111 Cb 1.52 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 39.77 3dby h TYR 111 CO 0.09 -0.15 0.62 0.82 -1.64 0.00 0.00 178.16 177.89 3dby h ILE 112 N -0.27 0.75 0.00 1.81 2.04 -1.23 0.45 117.51 121.06 3dby h ILE 112 Ca -0.03 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 3dby h ILE 112 Cb 0.21 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3dby h ILE 112 CO 0.04 0.15 -0.35 0.00 0.00 0.00 0.00 178.15 177.99 3dby h ALA 113 N 1.62 1.39 0.02 1.87 0.00 -1.19 -2.49 119.26 120.48 3dby h ALA 113 Ca 0.56 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 113 Cb 0.81 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3dby h ALA 113 CO -0.35 0.44 -0.95 0.28 0.00 0.00 0.00 179.25 178.66 3dby h VAL 114 N 0.00 1.57 0.00 0.00 2.07 -0.45 -3.31 116.25 116.13 3dby h VAL 114 Ca -0.00 -2.92 -0.06 0.00 0.82 0.00 0.00 66.70 64.53 3dby h VAL 114 Cb 0.63 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 3dby h VAL 114 CO 0.05 0.84 -0.30 -0.07 0.02 0.00 0.00 177.57 178.11 3dby h LEU 115 N 0.06 0.00 -0.98 2.57 3.38 -0.64 -1.91 115.31 117.79 3dby h LEU 115 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.05 3dby h LEU 115 Cb 1.63 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 3dby h LEU 115 CO 0.14 0.30 0.60 -0.08 0.09 0.00 0.00 178.44 179.49 3dby h GLU 116 N 0.00 0.90 0.12 1.13 4.81 -1.58 -0.46 114.58 119.50 3dby h GLU 116 Ca -0.00 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 3dby h GLU 116 Cb 0.82 -0.20 0.03 0.00 0.63 0.00 0.00 28.75 30.03 3dby h GLU 116 CO 0.04 0.60 -1.03 0.74 -0.73 0.00 0.00 179.01 178.63 3dby h PHE 117 N 0.93 0.80 0.00 0.92 0.04 -1.55 -3.34 116.94 114.74 3dby h PHE 117 Ca 0.50 -0.52 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 3dby h PHE 117 Cb 0.53 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3dby h PHE 117 CO -0.01 1.38 -0.27 -0.07 -0.60 0.00 0.00 178.31 178.74 3dby h LEU 118 N 0.00 0.00 -1.40 1.54 3.38 -1.12 -1.61 115.31 116.10 3dby h LEU 118 Ca -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dby h LEU 118 Cb 1.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 3dby h LEU 118 CO 0.20 0.27 0.15 0.11 0.09 0.00 0.00 178.44 179.26 3dby h LYS 119 N 0.00 0.56 -0.67 1.13 1.57 -1.21 -3.06 116.57 114.88 3dby h LYS 119 Ca -0.00 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 3dby h LYS 119 Cb 0.67 -0.11 -0.16 0.00 0.08 0.00 0.00 32.23 32.72 3dby h LYS 119 CO 0.03 0.47 0.27 0.36 -0.57 0.00 0.00 179.45 180.01 3dby n LYS 120 N -4.38 2.82 -1.49 3.15 2.85 -0.74 -4.83 118.16 115.54 3dby n LYS 120 Ca 0.03 -3.07 -0.13 0.00 -1.05 0.00 0.00 58.31 54.09 3dby n LYS 120 Cb 0.15 -2.08 -0.05 0.00 -0.65 0.00 0.00 35.03 32.40 3dby n LYS 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dby n GLY 121 N -0.69 1.15 3.66 2.58 0.00 -1.16 -5.02 105.19 105.72 3dby n GLY 121 Ca 0.42 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.29 2.62 0.13 1.61 2.02 -0.68 -4.84 118.70 116.27 3dby s GLU 122 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 3dby s GLU 122 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 3dby s GLU 122 CO 0.00 0.59 1.19 0.08 0.02 0.00 0.00 175.26 177.14 3dby s VAL 123 N -1.14 3.80 0.40 2.63 1.01 -1.26 -3.78 120.40 122.07 3dby s VAL 123 Ca 0.21 1.41 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 3dby s VAL 123 Cb -0.11 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3dby s VAL 123 CO 0.12 0.17 1.19 -2.84 0.00 0.00 0.00 175.10 173.75 3dby s PRO 124 N 0.34 4.05 0.79 2.72 0.02 -1.26 -4.97 135.00 136.69 3dby s PRO 124 Ca 0.55 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 63.34 3dby s PRO 124 Cb -0.31 -2.70 0.07 0.00 0.02 0.00 0.00 34.50 31.58 3dby s PRO 124 CO 0.33 -0.34 1.15 -1.25 -0.33 0.00 0.00 177.00 176.56 3dby s PRO 125 N -2.27 1.93 -0.55 5.54 0.04 -1.26 -4.93 135.00 133.50 3dby s PRO 125 Ca 0.57 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 3dby s PRO 125 Cb -0.32 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.43 3dby s PRO 125 CO 0.40 -1.94 0.88 0.08 0.04 0.00 0.00 177.00 176.46 3dby s VAL 126 N -2.46 4.48 1.10 -0.36 1.01 -1.26 -5.02 120.40 117.89 3dby s VAL 126 Ca 0.68 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 3dby s VAL 126 Cb -0.23 -4.50 0.25 0.00 0.00 0.00 0.00 36.38 31.89 3dby s VAL 126 CO 0.51 -1.08 1.06 -0.36 0.00 0.00 0.00 175.10 175.23 3dby s PHE 127 N 3.68 1.45 0.54 5.22 0.08 -1.26 -4.96 117.98 122.75 3dby s PHE 127 Ca 0.27 1.33 -0.22 0.00 0.12 0.00 0.00 56.93 58.43 3dby s PHE 127 Cb -0.14 -3.16 -0.05 0.00 -0.57 0.00 0.00 43.02 39.10 3dby s PHE 127 CO 0.17 -3.57 1.34 1.58 -0.10 0.00 0.00 175.22 174.65 3dby n HIS 128 N -4.72 2.25 -0.35 0.36 -0.00 -1.26 -4.78 115.22 106.73 3dby n HIS 128 Ca 0.05 0.43 0.00 0.00 0.46 0.00 0.00 57.72 58.67 3dby n HIS 128 Cb 0.54 -2.36 0.16 0.00 -0.12 0.00 0.00 29.99 28.21 3dby n HIS 128 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3dby h GLU 129 N 1.44 1.19 -0.58 1.57 4.11 -1.93 -1.10 114.58 119.28 3dby h GLU 129 Ca -0.51 -0.07 0.05 0.00 0.07 0.00 0.00 59.36 58.90 3dby h GLU 129 Cb 1.31 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3dby h GLU 129 CO 0.57 0.79 0.38 -0.07 0.07 0.00 0.00 179.01 180.75 3dby h LEU 130 N 1.23 0.52 -0.47 3.06 3.38 -1.98 -1.34 115.31 119.71 3dby h LEU 130 Ca 0.38 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.44 3dby h LEU 130 Cb -0.01 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 3dby h LEU 130 CO -0.11 0.35 -0.32 -0.74 0.09 0.00 0.00 178.44 177.71 3dby h HIS 131 N 0.60 -0.88 -0.52 1.13 2.76 -1.55 -0.79 115.15 115.90 3dby h HIS 131 Ca 0.24 0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.39 3dby h HIS 131 Cb 0.20 0.46 -0.02 0.00 1.55 0.00 0.00 27.41 29.59 3dby h HIS 131 CO -0.00 -0.38 -0.03 1.88 -1.30 0.00 0.00 177.93 178.10 3dby h TYR 132 N -0.21 0.97 -0.52 5.26 0.05 -1.27 -2.34 116.97 118.90 3dby h TYR 132 Ca 0.20 -0.16 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3dby h TYR 132 Cb 0.54 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 3dby h TYR 132 CO -0.57 0.89 0.33 0.45 -1.05 0.00 0.00 178.16 178.22 3dby h HIS 133 N 0.82 0.63 0.00 4.88 3.86 -0.92 -0.03 115.15 124.38 3dby h HIS 133 Ca 0.15 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 3dby h HIS 133 Cb 0.53 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 3dby h HIS 133 CO 0.03 0.38 -0.21 -0.07 0.86 0.00 0.00 177.93 178.92 3dby h LEU 134 N 0.67 0.00 0.08 2.43 3.38 -0.62 -0.87 115.31 120.38 3dby h LEU 134 Ca 0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 3dby h LEU 134 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3dby h LEU 134 CO -0.07 0.21 -1.49 0.58 0.09 0.00 0.00 178.44 177.77 3dby h VAL 135 N 0.00 0.91 0.00 1.22 2.07 -1.32 -3.43 116.25 115.71 3dby h VAL 135 Ca -0.00 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.19 3dby h VAL 135 Cb 0.66 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 3dby h VAL 135 CO 0.03 0.65 -1.00 0.79 0.02 0.00 0.00 177.57 178.06 3dby n TRP 136 N -3.96 0.05 -0.04 1.57 7.02 -0.04 -3.76 117.44 118.29 3dby n TRP 136 Ca -0.28 0.02 -0.16 0.00 -1.02 0.00 0.00 57.50 56.06 3dby n TRP 136 Cb 0.87 -0.18 -0.07 0.00 -2.42 0.00 0.00 31.31 29.51 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 -0.97 -0.99 3.38 -1.35 -1.80 115.31 114.27 3dby h LEU 137 Ca 0.00 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.26 3dby h LEU 137 Cb 0.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dby h LEU 137 CO 0.00 1.17 -0.34 0.71 0.09 0.00 0.00 178.44 180.07 3dby h THR 138 N 0.24 1.28 -0.16 0.22 1.35 -1.80 -1.32 112.91 112.72 3dby h THR 138 Ca -0.02 -1.39 0.04 0.00 -0.55 0.00 0.00 66.41 64.50 3dby h THR 138 Cb 1.12 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 69.04 3dby h THR 138 CO 0.10 0.42 -0.11 -0.78 -0.25 0.00 0.00 175.52 174.91 3dby h ASP 139 N 0.28 -0.36 -0.42 5.36 3.58 -1.63 -0.67 116.42 122.55 3dby h ASP 139 Ca 0.03 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.47 3dby h ASP 139 Cb 0.74 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 3dby h ASP 139 CO 0.06 -0.15 -0.09 0.00 -2.88 0.00 0.00 179.24 176.18 3dby h ALA 140 N 1.01 0.58 -0.87 -0.78 0.00 -0.99 0.11 119.26 118.32 3dby h ALA 140 Ca 0.10 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.81 3dby h ALA 140 Cb 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3dby h ALA 140 CO -0.23 0.45 0.50 0.00 0.00 0.00 0.00 179.25 179.97 3dby h ALA 141 N 0.86 1.29 -0.03 0.00 0.00 -1.17 -0.63 119.26 119.57 3dby h ALA 141 Ca 0.11 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 3dby h ALA 141 Cb 0.61 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3dby h ALA 141 CO 0.04 0.08 -0.57 0.78 0.00 0.00 0.00 179.25 179.58 3dby h GLY 142 N 0.79 0.11 0.87 0.00 0.00 -0.41 0.14 103.07 104.57 3dby h GLY 142 Ca 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3dby h GLY 142 CO -0.28 0.11 -0.15 0.45 0.00 0.00 0.00 176.54 176.67 3dby h HIS 143 N 0.08 -0.39 -0.61 5.60 3.86 -0.03 0.99 115.15 124.65 3dby h HIS 143 Ca -0.00 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3dby h HIS 143 Cb 1.02 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 3dby h HIS 143 CO 0.01 -0.15 0.35 0.00 0.86 0.00 0.00 177.93 179.00 3dby h ALA 144 N 0.09 0.80 -0.72 2.45 0.00 -1.02 -2.18 119.26 118.68 3dby h ALA 144 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dby h ALA 144 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3dby h ALA 144 CO 0.07 0.06 0.26 0.78 0.00 0.00 0.00 179.25 180.42 3dby h GLY 145 N 0.68 1.18 2.00 0.00 0.00 -0.65 -1.67 103.07 104.61 3dby h GLY 145 Ca 0.26 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 3dby h GLY 145 CO -0.14 0.63 -0.42 1.48 0.00 0.00 0.00 176.54 178.10 3dby h SER 146 N 1.05 0.00 0.28 0.19 4.64 -0.59 -0.38 113.55 118.74 3dby h SER 146 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3dby h SER 146 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dby h SER 146 CO -0.01 0.42 -0.13 0.40 -0.87 0.00 0.00 176.83 176.63 3dby h ILE 147 N 0.00 0.77 -0.93 0.95 2.04 -0.98 -0.66 117.51 118.69 3dby h ILE 147 Ca -0.00 -0.40 0.11 0.00 1.00 0.00 0.00 64.86 65.57 3dby h ILE 147 Cb 0.76 0.99 -0.13 0.00 -0.74 0.00 0.00 36.82 37.70 3dby h ILE 147 CO 0.05 0.09 -0.49 -1.28 0.00 0.00 0.00 178.15 176.52 3dby h SER 148 N -0.59 -1.78 0.91 1.72 0.87 -1.13 0.85 113.55 114.40 3dby h SER 148 Ca -0.04 0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3dby h SER 148 Cb 0.42 0.84 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 3dby h SER 148 CO 0.06 -0.27 -0.03 1.23 -0.53 0.00 0.00 176.83 177.29 3dby h GLY 149 N -0.04 0.00 1.48 5.77 0.00 -1.01 -3.11 103.07 106.16 3dby h GLY 149 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3dby h GLY 149 CO -0.92 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 175.89 3dby n GLY 150 N -0.06 -1.47 3.80 4.60 0.00 0.22 -4.88 105.19 107.39 3dby n GLY 150 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3dby n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dby s LEU 151 N -3.86 4.45 0.53 0.99 1.43 -0.76 -0.91 118.68 120.54 3dby s LEU 151 Ca 0.10 1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 54.52 3dby s LEU 151 Cb 0.15 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 3dby s LEU 151 CO 0.65 0.11 0.96 -0.67 0.23 0.00 0.00 176.35 177.63 3dby n ASP 152 N 1.10 0.90 -0.37 2.29 2.03 -0.61 -4.88 116.55 117.01 3dby n ASP 152 Ca -0.04 0.90 0.31 0.00 0.52 0.00 0.00 54.79 56.48 3dby n ASP 152 Cb 0.50 -1.37 0.57 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.94 0.36 -0.04 -2.67 5.85 -1.96 -1.37 115.31 116.41 3dby h LEU 153 Ca -0.47 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3dby h LEU 153 Cb 1.35 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.54 3dby h LEU 153 CO 0.53 -0.22 -0.16 1.33 -0.34 0.00 0.00 178.44 179.57 3dby n VAL 154 N -4.95 0.00 -1.53 1.05 0.24 -1.26 -4.33 118.33 107.55 3dby n VAL 154 Ca 0.35 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.34 62.25 3dby n VAL 154 Cb 1.23 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.38 3.85 -0.16 7.34 -0.58 -0.52 -4.71 120.64 124.47 3dby n GLU 155 Ca 0.08 -2.56 -0.10 0.00 -0.42 0.00 0.00 57.16 54.16 3dby n GLU 155 Cb 0.32 -2.80 -0.00 0.00 -0.57 0.00 0.00 31.44 28.39 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 5.01 0.88 -0.49 3.49 1.79 -1.84 -2.15 116.57 123.26 3dby h LYS 156 Ca 0.80 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.89 3dby h LYS 156 Cb 0.32 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3dby h LYS 156 CO 1.72 0.94 0.03 0.00 -1.08 0.00 0.00 179.45 181.06 3dby h ARG 157 N 0.73 0.85 -0.68 3.15 2.47 -1.97 -1.38 114.38 117.55 3dby h ARG 157 Ca 0.13 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.58 3dby h ARG 157 Cb 0.58 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.78 3dby h ARG 157 CO 0.03 0.87 0.35 -0.07 0.56 0.00 0.00 179.97 181.72 3dby h LEU 158 N 0.71 0.84 -0.38 3.04 3.38 -1.92 -2.47 115.31 118.51 3dby h LEU 158 Ca 0.14 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3dby h LEU 158 Cb 0.47 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dby h LEU 158 CO 0.02 0.69 -0.65 0.50 0.09 0.00 0.00 178.44 179.09 3dby h LYS 159 N 0.95 0.60 -0.21 1.13 3.64 -1.15 -1.87 116.57 119.66 3dby h LYS 159 Ca 0.24 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3dby h LYS 159 Cb 0.05 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3dby h LYS 159 CO -0.04 1.06 0.14 0.93 -2.27 0.00 0.00 179.45 179.27 3dby h GLU 160 N 0.44 0.27 -0.07 1.90 5.08 -1.10 -0.62 114.58 120.48 3dby h GLU 160 Ca -0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dby h GLU 160 Cb 1.23 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3dby h GLU 160 CO 0.13 0.18 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.06 3dby h LYS 161 N 0.28 -0.04 0.00 2.33 1.63 -1.37 -1.11 116.57 118.29 3dby h LYS 161 Ca 0.08 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 3dby h LYS 161 Cb -0.03 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 3dby h LYS 161 CO -0.02 -0.03 -0.28 0.66 -3.45 0.00 0.00 179.45 176.34 3dby h SER 162 N -0.05 0.00 -0.45 4.20 4.64 -1.19 -1.75 113.55 118.96 3dby h SER 162 Ca 0.04 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.25 3dby h SER 162 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3dby h SER 162 CO -0.09 0.28 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.66 3dby h GLU 163 N 0.00 0.89 -0.33 4.77 5.08 -1.02 -0.78 114.58 123.18 3dby h GLU 163 Ca -0.00 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3dby h GLU 163 Cb 0.70 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3dby h GLU 163 CO 0.04 1.01 0.19 1.49 -1.00 0.00 0.00 179.01 180.74 3dby h GLU 164 N 0.72 0.39 -0.74 2.33 4.81 -0.40 -1.69 114.58 120.00 3dby h GLU 164 Ca 0.11 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 3dby h GLU 164 Cb 0.71 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 3dby h GLU 164 CO 0.05 0.26 0.43 0.74 -0.73 0.00 0.00 179.01 179.75 3dby h PHE 165 N 0.40 0.78 -1.00 0.92 0.04 -1.25 -1.90 116.94 114.92 3dby h PHE 165 Ca 0.13 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.96 3dby h PHE 165 Cb 0.00 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 37.85 3dby h PHE 165 CO -0.08 0.36 0.66 1.15 -0.60 0.00 0.00 178.31 179.81 3dby h THR 166 N 0.77 1.18 -0.19 -1.55 2.02 -0.71 -1.44 112.91 112.98 3dby h THR 166 Ca 0.34 -0.44 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 3dby h THR 166 Cb 0.23 -0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 3dby h THR 166 CO -0.20 0.23 -0.48 0.50 0.37 0.00 0.00 175.52 175.95 3dby h LYS 167 N 1.28 0.67 -0.58 6.66 3.64 -0.97 -1.41 116.57 125.85 3dby h LYS 167 Ca 0.40 -0.46 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3dby h LYS 167 Cb -0.01 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3dby h LYS 167 CO -0.12 1.08 0.32 0.45 -2.27 0.00 0.00 179.45 178.90 3dby h HIS 168 N 0.36 0.59 -0.09 1.91 3.86 -1.07 -0.70 115.15 120.02 3dby h HIS 168 Ca -0.00 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.06 3dby h HIS 168 Cb 1.09 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 3dby h HIS 168 CO 0.09 0.30 -0.67 0.74 0.86 0.00 0.00 177.93 179.24 3dby h PHE 169 N 0.61 0.48 -0.44 2.45 0.04 -1.09 1.00 116.94 119.99 3dby h PHE 169 Ca 0.25 -0.20 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 3dby h PHE 169 Cb 0.12 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3dby h PHE 169 CO -0.08 0.93 0.15 0.93 -0.60 0.00 0.00 178.31 179.64 3dby h GLU 170 N 0.26 0.68 -0.23 1.51 5.08 -1.13 0.78 114.58 121.53 3dby h GLU 170 Ca -0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3dby h GLU 170 Cb 1.22 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3dby h GLU 170 CO 0.11 0.64 0.10 1.96 -1.00 0.00 0.00 179.01 180.83 3dby h GLN 171 N 0.57 0.34 -0.62 2.33 4.20 -0.98 -1.34 115.11 119.61 3dby h GLN 171 Ca 0.14 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.89 3dby h GLN 171 Cb 0.23 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.89 3dby h GLN 171 CO -0.01 0.36 0.27 0.74 -0.67 0.00 0.00 178.83 179.52 3dby h PHE 172 N 0.23 0.47 -0.81 2.96 0.04 -0.68 -1.48 116.94 117.67 3dby h PHE 172 Ca 0.08 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.89 3dby h PHE 172 Cb 0.14 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 3dby h PHE 172 CO -0.02 0.15 0.53 -0.92 -0.60 0.00 0.00 178.31 177.46 3dby h TYR 173 N 0.48 1.01 -0.56 -0.55 3.20 -0.50 0.56 116.97 120.60 3dby h TYR 173 Ca 0.31 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.15 3dby h TYR 173 Cb 0.34 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3dby h TYR 173 CO -0.14 0.62 0.16 -0.07 -1.64 0.00 0.00 178.16 177.09 3dby h LEU 174 N 1.08 0.79 -0.66 2.82 3.38 -0.71 -0.55 115.31 121.46 3dby h LEU 174 Ca 0.31 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3dby h LEU 174 Cb -0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3dby h LEU 174 CO -0.08 0.76 0.26 0.50 0.09 0.00 0.00 178.44 179.97 3dby h LYS 175 N 0.82 0.98 -0.42 1.13 3.64 -0.66 -2.69 116.57 119.37 3dby h LYS 175 Ca 0.18 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dby h LYS 175 Cb 0.26 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3dby h LYS 175 CO -0.01 0.82 0.25 0.00 -2.27 0.00 0.00 179.45 178.24 3dby h ALA 176 N 1.11 0.53 -0.33 5.00 0.00 0.06 -1.39 119.26 124.24 3dby h ALA 176 Ca 0.22 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3dby h ALA 176 Cb 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3dby h ALA 176 CO -0.02 0.04 -0.21 0.28 0.00 0.00 0.00 179.25 179.34 3dby h VAL 177 N 0.55 0.41 0.07 0.00 2.07 -1.09 0.30 116.25 118.57 3dby h VAL 177 Ca 0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3dby h VAL 177 Cb 0.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3dby h VAL 177 CO -0.03 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.11 3dby h GLU 178 N -0.17 -0.24 -0.80 1.57 4.39 -1.27 -2.33 114.58 115.73 3dby h GLU 178 Ca 0.17 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.97 3dby h GLU 178 Cb 0.43 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 3dby h GLU 178 CO -0.44 -0.16 0.52 0.52 -1.16 0.00 0.00 179.01 178.30 3dby h MET 179 N -0.25 0.77 -0.52 2.33 2.86 -1.07 0.37 114.93 119.42 3dby h MET 179 Ca 0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3dby h MET 179 Cb 0.26 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3dby h MET 179 CO -0.07 0.51 0.25 1.15 1.06 0.00 0.00 176.91 179.81 3dby h THR 180 N 0.79 1.17 -0.60 2.22 2.02 -0.59 -1.97 112.91 115.95 3dby h THR 180 Ca 0.36 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3dby h THR 180 Cb 0.35 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3dby h THR 180 CO -0.13 0.20 0.18 1.23 0.37 0.00 0.00 175.52 177.37 3dby h GLY 181 N 0.82 0.98 2.00 2.16 0.00 -0.44 -2.75 103.07 105.84 3dby h GLY 181 Ca 0.18 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 3dby h GLY 181 CO -0.03 0.51 -0.11 -0.97 0.00 0.00 0.00 176.54 175.94 3dby h TYR 182 N 0.88 0.00 0.00 5.60 0.05 -0.47 -2.35 116.97 120.69 3dby h TYR 182 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3dby h TYR 182 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 3dby h TYR 182 CO 0.02 0.11 0.00 1.28 -1.05 0.00 0.00 178.16 178.52 3dby n LEU 183 N -3.92 0.00 0.15 3.88 4.77 -1.04 -1.50 117.00 119.34 3dby n LEU 183 Ca -0.02 0.49 0.13 0.00 -0.03 0.00 0.00 56.01 56.57 3dby n LEU 183 Cb 0.21 -0.49 0.50 0.00 -2.33 0.00 0.00 43.42 41.31 3dby n LEU 183 CO 0.32 -0.39 0.88 0.03 -1.33 0.00 0.00 177.39 176.89 3dby h ARG 184 N 0.00 0.00 0.00 3.23 3.08 -1.59 0.46 114.38 119.56 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 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 -2.36 0.54 -1.02 2.04 -2.24 -0.56 -4.88 114.28 105.80 3dby n THR 185 Ca 0.02 0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 3dby n THR 185 Cb 0.27 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.41 -1.12 -3.41 -0.78 1.02 0.15 -4.96 120.64 110.14 3dby n GLU 186 Ca 0.07 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 57.11 3dby n GLU 186 Cb 0.20 -4.18 -0.09 0.00 -0.02 0.00 0.00 31.44 27.35 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 -0.14 4.62 0.00 -4.62 0.20 -1.26 -4.97 118.68 112.52 3dby s LEU 187 Ca 0.00 -0.43 0.20 0.00 0.69 0.00 0.00 54.13 54.59 3dby s LEU 187 Cb 0.00 -2.30 -0.13 0.00 -0.43 0.00 0.00 46.19 43.32 3dby s LEU 187 CO 0.00 -0.39 0.92 1.41 -0.29 0.00 0.00 176.35 178.00 3dby n HIS 188 N 5.37 0.00 -3.78 5.38 8.25 -1.26 -4.55 115.22 124.63 3dby n HIS 188 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 3dby n HIS 188 Cb 0.49 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.67 -0.14 0.03 4.41 3.76 -1.26 -5.07 115.29 114.35 3dby s HIS 189 Ca 0.11 0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 55.29 3dby s HIS 189 Cb 0.16 -0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.83 3dby s HIS 189 CO 0.71 -0.12 0.31 -0.59 -0.85 0.00 0.00 174.74 174.19 3dby s PHE 190 N 0.73 -0.13 0.32 1.40 -0.12 -1.26 -5.06 117.98 113.86 3dby s PHE 190 Ca -0.06 0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.93 3dby s PHE 190 Cb -0.07 0.10 0.78 0.00 -0.63 0.00 0.00 43.02 43.20 3dby s PHE 190 CO -0.03 -0.49 1.79 -1.35 -0.05 0.00 0.00 175.22 175.09 3dby h PRO 191 N 3.31 0.71 -0.61 1.99 0.11 -2.01 -0.23 132.00 135.27 3dby h PRO 191 Ca -0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3dby h PRO 191 Cb 1.20 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3dby h PRO 191 CO 0.45 0.47 0.30 0.00 -0.21 0.00 0.00 178.00 179.01 3dby h ALA 192 N 1.63 1.39 -0.20 -0.75 0.00 -1.99 -1.13 119.26 118.20 3dby h ALA 192 Ca 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 3dby h ALA 192 Cb 0.91 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3dby h ALA 192 CO -0.34 0.49 -0.00 1.25 0.00 0.00 0.00 179.25 180.65 3dby h LEU 193 N 0.85 0.35 -0.62 0.00 5.85 -1.46 -1.15 115.31 119.13 3dby h LEU 193 Ca 0.21 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3dby h LEU 193 Cb 0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3dby h LEU 193 CO -0.03 0.58 0.41 0.11 -0.34 0.00 0.00 178.44 179.17 3dby h LYS 194 N 0.12 0.82 -0.68 1.25 1.79 -1.26 -1.52 116.57 117.09 3dby h LYS 194 Ca 0.06 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 3dby h LYS 194 Cb 0.40 -0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 3dby h LYS 194 CO 0.01 0.54 0.23 -0.22 -1.08 0.00 0.00 179.45 178.93 3dby h LYS 195 N 0.84 1.03 0.06 3.15 1.63 -1.13 -2.69 116.57 119.46 3dby h LYS 195 Ca 0.23 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3dby h LYS 195 Cb -0.09 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.37 3dby h LYS 195 CO -0.05 0.86 -0.03 0.35 -3.45 0.00 0.00 179.45 177.13 3dby h PHE 196 N 1.00 -0.08 -0.36 1.91 3.57 -0.56 -0.75 116.94 121.68 3dby h PHE 196 Ca 0.22 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3dby h PHE 196 Cb 0.25 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3dby h PHE 196 CO 0.02 0.03 0.24 1.15 -2.23 0.00 0.00 178.31 177.52 3dby h THR 197 N -0.17 1.08 -0.34 4.41 2.02 -1.22 0.75 112.91 119.45 3dby h THR 197 Ca -0.01 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 3dby h THR 197 Cb 0.15 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3dby h THR 197 CO 0.01 0.09 -0.28 0.11 0.37 0.00 0.00 175.52 175.82 3dby h LYS 198 N 0.47 0.71 -0.25 6.66 1.57 -1.22 -1.68 116.57 122.83 3dby h LYS 198 Ca 0.13 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3dby h LYS 198 Cb -0.02 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3dby h LYS 198 CO -0.03 0.91 0.08 -0.44 -0.57 0.00 0.00 179.45 179.40 3dby h ASP 199 N 0.61 0.36 -0.60 0.86 3.32 0.58 -1.00 116.42 120.55 3dby h ASP 199 Ca 0.08 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.94 3dby h ASP 199 Cb 0.79 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3dby h ASP 199 CO 0.06 0.46 0.40 0.58 -1.72 0.00 0.00 179.24 179.02 3dby h VAL 200 N 0.24 1.14 -0.63 -1.35 2.07 -0.98 -2.43 116.25 114.31 3dby h VAL 200 Ca 0.08 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3dby h VAL 200 Cb 0.23 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3dby h VAL 200 CO -0.00 0.15 0.28 0.28 0.02 0.00 0.00 177.57 178.30 3dby h SER 201 N 0.81 0.85 -0.66 0.57 0.02 -1.06 0.19 113.55 114.27 3dby h SER 201 Ca 0.23 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3dby h SER 201 Cb -0.08 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.19 3dby h SER 201 CO -0.06 0.76 0.36 0.25 -1.14 0.00 0.00 176.83 177.00 3dby h LEU 202 N 0.88 0.54 -0.91 5.07 6.46 -0.96 -2.50 115.31 123.89 3dby h LEU 202 Ca 0.22 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 3dby h LEU 202 Cb 0.15 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 3dby h LEU 202 CO -0.02 0.35 -0.28 -0.08 -0.62 0.00 0.00 178.44 177.78 3dby h GLU 203 N 0.67 0.47 0.00 1.25 4.57 -0.95 -2.60 114.58 117.99 3dby h GLU 203 Ca 0.29 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3dby h GLU 203 Cb 0.18 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3dby h GLU 203 CO -0.18 0.71 -0.28 -0.07 -1.18 0.00 0.00 179.01 178.01 3dby h LEU 204 N 0.41 0.00 -0.03 1.64 3.38 -0.61 0.21 115.31 120.32 3dby h LEU 204 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 204 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dby h LEU 204 CO 0.05 0.28 -0.23 0.11 0.09 0.00 0.00 178.44 178.75 3dby h LYS 205 N 0.00 0.20 -0.47 1.13 6.56 -1.11 -0.32 116.57 122.55 3dby h LYS 205 Ca -0.00 -0.18 0.08 0.00 -1.06 0.00 0.00 60.65 59.48 3dby h LYS 205 Cb 0.53 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 32.17 3dby h LYS 205 CO 0.04 0.87 0.10 -0.07 -2.06 0.00 0.00 179.45 178.33 3dby h LEU 206 N -0.40 0.02 -0.49 2.94 3.38 -1.36 -1.29 115.31 118.12 3dby h LEU 206 Ca -0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3dby h LEU 206 Cb 0.92 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3dby h LEU 206 CO 0.05 0.04 0.23 0.15 0.09 0.00 0.00 178.44 179.00 3dby h PHE 207 N 0.24 0.71 -0.98 1.13 3.57 -0.91 -0.82 116.94 119.88 3dby h PHE 207 Ca 0.23 -0.04 0.17 0.00 3.53 0.00 0.00 57.97 61.86 3dby h PHE 207 Cb 0.30 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 3dby h PHE 207 CO -0.21 0.57 0.61 0.77 -2.23 0.00 0.00 178.31 177.82 3dby h SER 208 N 0.64 0.77 0.03 0.41 0.02 -0.85 0.23 113.55 114.80 3dby h SER 208 Ca 0.17 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3dby h SER 208 Cb 0.14 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3dby h SER 208 CO -0.02 0.33 -0.02 0.45 -1.14 0.00 0.00 176.83 176.43 3dby h HIS 209 N 0.78 -0.04 -0.23 3.45 3.86 -0.08 -1.11 115.15 121.77 3dby h HIS 209 Ca 0.53 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.77 3dby h HIS 209 Cb 0.81 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 3dby h HIS 209 CO -0.00 0.21 0.02 0.35 0.86 0.00 0.00 177.93 179.37 3dby h PHE 210 N -0.29 0.04 -0.86 2.45 3.57 -0.86 -1.37 116.94 119.60 3dby h PHE 210 Ca -0.00 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.67 3dby h PHE 210 Cb 0.27 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 3dby h PHE 210 CO 0.01 -0.00 0.56 -0.07 -2.23 0.00 0.00 178.31 176.58 3dby h LEU 211 N 0.10 0.55 -0.51 0.59 3.38 -0.48 -0.60 115.31 118.35 3dby h LEU 211 Ca 0.11 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 3dby h LEU 211 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3dby h LEU 211 CO -0.16 0.26 -0.63 0.45 0.09 0.00 0.00 178.44 178.45 3dby h HIS 212 N 0.57 0.54 -0.21 1.13 3.86 -0.21 -1.69 115.15 119.14 3dby h HIS 212 Ca 0.44 -0.21 -0.17 0.00 -1.16 0.00 0.00 60.37 59.26 3dby h HIS 212 Cb 0.84 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 3dby h HIS 212 CO -0.00 0.94 -0.57 0.93 0.86 0.00 0.00 177.93 180.08 3dby h GLU 213 N 0.30 0.66 -0.36 2.45 5.08 -0.63 -2.29 114.58 119.79 3dby h GLU 213 Ca -0.01 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3dby h GLU 213 Cb 1.18 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 3dby h GLU 213 CO 0.11 1.05 0.24 0.28 -1.00 0.00 0.00 179.01 179.69 3dby h VAL 214 N 0.50 1.09 -0.59 3.13 2.07 -1.04 -0.15 116.25 121.26 3dby h VAL 214 Ca 0.00 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3dby h VAL 214 Cb 1.14 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3dby h VAL 214 CO 0.11 0.09 0.39 -0.08 0.02 0.00 0.00 177.57 178.10 3dby h GLU 215 N 0.49 0.62 0.03 1.57 4.81 -1.15 0.38 114.58 121.34 3dby h GLU 215 Ca 0.13 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.05 3dby h GLU 215 Cb -0.06 -0.14 0.02 0.00 0.63 0.00 0.00 28.75 29.21 3dby h GLU 215 CO -0.03 0.41 -1.09 0.93 -0.73 0.00 0.00 179.01 178.50 3dby h GLU 216 N 0.64 0.66 -0.96 1.92 4.39 -0.96 -1.16 114.58 119.10 3dby h GLU 216 Ca 0.24 -0.75 0.03 0.00 0.34 0.00 0.00 59.36 59.22 3dby h GLU 216 Cb 0.16 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 3dby h GLU 216 CO -0.07 1.33 0.63 -0.07 -1.16 0.00 0.00 179.01 179.67 3dby h LEU 217 N 0.35 1.06 -0.49 1.33 3.38 -0.13 -0.35 115.31 120.47 3dby h LEU 217 Ca -0.14 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3dby h LEU 217 Cb 1.75 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3dby h LEU 217 CO 0.21 0.74 -0.36 -0.33 0.09 0.00 0.00 178.44 178.79 3dby h GLU 218 N 1.24 0.85 -0.04 1.13 4.39 -0.17 -0.09 114.58 121.88 3dby h GLU 218 Ca 0.38 -0.42 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 3dby h GLU 218 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3dby h GLU 218 CO -0.11 1.06 -0.48 -0.07 -1.16 0.00 0.00 179.01 178.26 3dby h LEU 219 N 0.70 0.10 -0.31 1.33 3.38 -0.85 -2.86 115.31 116.80 3dby h LEU 219 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dby h LEU 219 Cb 0.92 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3dby h LEU 219 CO 0.09 0.57 -0.39 -1.54 0.09 0.00 0.00 178.44 177.25 3dby n SER 220 N -3.97 0.87 -1.07 -0.43 3.41 -0.17 -4.94 113.62 107.32 3dby n SER 220 Ca -0.02 -0.68 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 3dby n SER 220 Cb 0.51 0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.98 -4.30 0.05 4.04 3.02 -0.44 -4.89 115.26 111.76 3dby n ASN 221 Ca 0.09 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.98 3dby n ASN 221 Cb 0.35 -3.06 0.37 0.00 -0.61 0.00 0.00 39.78 36.83 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 -2.51 0.15 -4.32 3.52 1.02 -0.18 -4.79 120.64 113.54 3dby n GLU 222 Ca -0.13 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.77 3dby n GLU 222 Cb 0.46 -1.64 -0.09 0.00 -0.02 0.00 0.00 31.44 30.15 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 -3.07 4.14 -0.26 2.62 0.11 -1.18 -5.03 120.40 117.74 3dby s VAL 223 Ca 0.10 -0.54 -0.16 0.00 -2.93 0.00 0.00 61.98 58.46 3dby s VAL 223 Cb 0.15 -2.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.15 3dby s VAL 223 CO 0.63 0.43 0.41 -0.76 -3.33 0.00 0.00 175.10 172.48 3dby s LEU 224 N -1.39 4.05 0.00 2.54 1.43 -1.26 -4.90 118.68 119.15 3dby s LEU 224 Ca 0.18 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3dby s LEU 224 Cb -0.11 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3dby s LEU 224 CO 0.08 -0.20 0.00 -1.54 0.23 0.00 0.00 176.35 174.92 3dby n SER 225 N 5.31 0.00 -0.52 2.29 3.41 -1.26 -1.58 113.62 121.27 3dby n SER 225 Ca -0.07 -0.91 0.05 0.00 -0.26 0.00 0.00 58.87 57.68 3dby n SER 225 Cb 0.50 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.54 3dby n SER 225 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3dby n VAL 226 N 0.00 0.99 -2.53 -3.33 0.24 -0.09 -4.89 118.33 108.73 3dby n VAL 226 Ca 0.00 -1.44 -0.20 0.00 -2.04 0.00 0.00 64.34 60.66 3dby n VAL 226 Cb 0.00 0.21 0.11 0.00 -1.47 0.00 0.00 33.84 32.68 3dby n VAL 226 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dby n LEU 227 N -0.60 0.00 -4.05 1.34 4.77 -1.26 -5.04 117.00 112.17 3dby n LEU 227 Ca 0.09 -1.82 -0.08 0.00 -0.03 0.00 0.00 56.01 54.18 3dby n LEU 227 Cb 0.75 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3dby n LEU 227 CO -0.01 -0.95 -0.36 -0.94 -1.33 0.00 0.00 177.39 173.80 3dby s SER 228 N -4.59 0.39 0.42 -1.43 1.04 -1.26 -5.02 113.70 103.24 3dby s SER 228 Ca 0.58 -0.81 0.10 0.00 0.48 0.00 0.00 55.95 56.30 3dby s SER 228 Cb -0.03 0.16 0.93 0.00 0.10 0.00 0.00 66.02 67.18 3dby s SER 228 CO 0.39 -0.49 2.02 0.00 0.98 0.00 0.00 173.24 176.14 3dby h ALA 229 N 3.72 1.84 -0.03 5.32 0.00 -1.85 -2.53 119.26 125.74 3dby h ALA 229 Ca -0.33 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3dby h ALA 229 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3dby h ALA 229 CO 0.57 0.08 -0.51 -0.09 0.00 0.00 0.00 179.25 179.29 3dby h ARG 230 N 0.51 0.07 -0.39 0.00 2.43 -1.95 -0.12 114.38 114.92 3dby h ARG 230 Ca 0.22 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3dby h ARG 230 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3dby h ARG 230 CO -0.06 0.56 -0.02 1.98 -1.51 0.00 0.00 179.97 180.93 3dby h MET 231 N 0.05 0.71 -0.51 0.20 4.05 -1.88 -0.72 114.93 116.83 3dby h MET 231 Ca -0.00 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 3dby h MET 231 Cb 0.92 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.64 3dby h MET 231 CO 0.07 0.81 0.29 0.00 0.23 0.00 0.00 176.91 178.31 3dby h ALA 232 N 0.87 0.65 -0.08 0.39 0.00 -1.05 -0.62 119.26 119.42 3dby h ALA 232 Ca 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dby h ALA 232 Cb 0.50 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dby h ALA 232 CO 0.02 0.16 0.01 0.22 0.00 0.00 0.00 179.25 179.66 3dby h ASP 233 N 0.68 0.12 -0.57 0.00 3.58 -1.02 -1.90 116.42 117.31 3dby h ASP 233 Ca 0.18 -0.26 0.09 0.00 0.42 0.00 0.00 57.03 57.47 3dby h ASP 233 Cb 0.03 -0.03 -0.11 0.00 1.72 0.00 0.00 39.33 40.94 3dby h ASP 233 CO -0.03 0.35 -0.39 -0.74 -2.88 0.00 0.00 179.24 175.55 3dby h HIS 234 N -0.11 -1.11 -0.88 0.28 2.76 -0.96 -0.40 115.15 114.72 3dby h HIS 234 Ca 0.02 0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3dby h HIS 234 Cb 0.28 0.57 -0.06 0.00 1.55 0.00 0.00 27.41 29.75 3dby h HIS 234 CO 0.01 -0.41 0.56 0.52 -1.30 0.00 0.00 177.93 177.32 3dby h MET 235 N -0.21 1.02 -0.56 5.26 2.86 -0.93 -2.14 114.93 120.23 3dby h MET 235 Ca 0.20 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3dby h MET 235 Cb 0.56 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3dby h MET 235 CO -0.68 0.68 0.22 0.00 1.06 0.00 0.00 176.91 178.19 3dby h ALA 236 N 1.39 0.73 -0.56 6.32 0.00 -0.75 -0.84 119.26 125.55 3dby h ALA 236 Ca 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dby h ALA 236 Cb 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dby h ALA 236 CO -0.15 0.36 0.26 0.00 0.00 0.00 0.00 179.25 179.71 3dby h ARG 237 N 0.77 0.82 -0.60 0.00 3.08 -0.69 -0.82 114.38 116.94 3dby h ARG 237 Ca 0.19 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3dby h ARG 237 Cb 0.22 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3dby h ARG 237 CO -0.01 0.68 0.32 0.93 -1.07 0.00 0.00 179.97 180.82 3dby h GLU 238 N 0.76 0.84 -0.53 0.04 5.08 -1.23 -1.78 114.58 117.75 3dby h GLU 238 Ca 0.19 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3dby h GLU 238 Cb 0.14 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3dby h GLU 238 CO -0.02 0.64 0.35 0.93 -1.00 0.00 0.00 179.01 179.91 3dby h GLU 239 N 0.81 0.67 -0.51 2.33 4.39 -0.68 -1.32 114.58 120.27 3dby h GLU 239 Ca 0.21 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 3dby h GLU 239 Cb 0.05 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3dby h GLU 239 CO -0.03 0.44 -0.10 0.00 -1.16 0.00 0.00 179.01 178.16 3dby h TYR 241 N 0.84 0.93 0.09 0.00 3.20 -0.79 -1.03 116.97 120.19 3dby h TYR 241 Ca 0.14 -0.27 0.02 0.00 3.14 0.00 0.00 58.73 61.76 3dby h TYR 241 Cb 0.63 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3dby h TYR 241 CO 0.04 1.04 -0.25 -0.92 -1.64 0.00 0.00 178.16 176.42 3dby h TYR 242 N 0.55 -0.67 -0.79 -3.82 3.20 -1.02 0.03 116.97 114.45 3dby h TYR 242 Ca 0.06 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.06 3dby h TYR 242 Cb 0.86 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 39.33 3dby h TYR 242 CO 0.07 -0.35 0.40 -0.07 -1.64 0.00 0.00 178.16 176.56 3dby h LEU 243 N -0.44 0.50 -0.06 2.82 3.38 -0.65 0.68 115.31 121.54 3dby h LEU 243 Ca 0.04 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dby h LEU 243 Cb 0.48 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dby h LEU 243 CO -0.16 0.25 0.01 0.25 0.09 0.00 0.00 178.44 178.87 3dby h LEU 244 N 0.62 0.09 -0.72 1.67 5.85 -0.76 0.18 115.31 122.24 3dby h LEU 244 Ca 0.41 -0.28 0.13 0.00 0.84 0.00 0.00 57.88 58.98 3dby h LEU 244 Cb 0.51 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 3dby h LEU 244 CO -0.32 0.35 0.27 0.11 -0.34 0.00 0.00 178.44 178.51 3dby h LYS 245 N -0.16 0.41 -0.44 1.25 1.79 -0.75 0.60 116.57 119.27 3dby h LYS 245 Ca 0.02 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 3dby h LYS 245 Cb 0.30 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3dby h LYS 245 CO 0.00 0.27 -0.19 -0.07 -1.08 0.00 0.00 179.45 178.38 3dby h LEU 246 N 0.42 0.88 -0.41 2.94 3.38 -0.44 -1.69 115.31 120.39 3dby h LEU 246 Ca 0.39 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3dby h LEU 246 Cb 0.57 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3dby h LEU 246 CO -0.39 1.05 -0.08 0.00 0.09 0.00 0.00 178.44 179.11 3dby h ALA 247 N 1.02 0.57 0.34 1.53 0.00 -0.08 -0.21 119.26 122.43 3dby h ALA 247 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dby h ALA 247 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dby h ALA 247 CO 0.06 0.42 -0.17 1.96 0.00 0.00 0.00 179.25 181.53 3dby h GLN 248 N 0.61 -0.44 -0.08 0.00 4.20 -0.80 -0.51 115.11 118.08 3dby h GLN 248 Ca 0.11 0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3dby h GLN 248 Cb 0.60 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3dby h GLN 248 CO 0.04 -0.20 -0.42 0.66 -0.67 0.00 0.00 178.83 178.24 3dby h SER 249 N -0.62 0.19 0.39 1.46 4.64 -1.33 -3.30 113.55 114.98 3dby h SER 249 Ca -0.05 -0.08 -0.31 0.00 -0.47 0.00 0.00 61.79 60.89 3dby h SER 249 Cb 0.45 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3dby h SER 249 CO 0.08 0.59 -1.85 -0.24 -0.87 0.00 0.00 176.83 174.54 3dby n SER 250 N -4.02 0.72 -0.13 4.97 2.88 -0.09 -4.67 113.62 113.28 3dby n SER 250 Ca -0.02 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 3dby n SER 250 Cb 0.48 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 1.60 0.65 3.67 0.46 0.00 -0.32 -5.07 105.19 106.18 3dby n GLY 251 Ca -0.20 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.25 3.10 0.12 0.99 1.43 -0.49 -5.05 118.68 118.53 3dby s LEU 252 Ca 0.00 -0.88 -0.31 0.00 -1.03 0.00 0.00 54.13 51.91 3dby s LEU 252 Cb 0.00 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.62 3dby s LEU 252 CO 0.00 -0.24 1.29 -1.61 0.23 0.00 0.00 176.35 176.02 3dby s GLU 253 N -3.76 4.39 -0.12 1.70 2.02 -1.26 -4.62 118.70 117.06 3dby s GLU 253 Ca 0.35 1.95 -0.41 0.00 0.02 0.00 0.00 54.97 56.88 3dby s GLU 253 Cb -0.02 -3.27 -0.20 0.00 0.10 0.00 0.00 34.13 30.75 3dby s GLU 253 CO 0.21 -0.30 1.24 -1.33 0.02 0.00 0.00 175.26 175.09 3dby n MET 254 N 3.51 0.14 -1.75 1.61 2.81 -1.26 -4.93 117.12 117.24 3dby n MET 254 Ca 0.09 0.05 -0.34 0.00 -1.81 0.00 0.00 57.70 55.68 3dby n MET 254 Cb 0.44 -1.57 0.06 0.00 -0.71 0.00 0.00 33.22 31.44 3dby n MET 254 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dby s PRO 255 N 0.85 2.66 -1.12 0.03 0.04 -1.26 -4.97 135.00 131.23 3dby s PRO 255 Ca 0.94 1.66 -0.09 0.00 0.04 0.00 0.00 61.00 63.55 3dby s PRO 255 Cb -1.29 -1.91 0.28 0.00 0.04 0.00 0.00 34.50 31.62 3dby s PRO 255 CO 0.62 -1.41 1.14 1.63 0.04 0.00 0.00 177.00 179.02 3dby n LYS 256 N -2.20 3.57 -3.58 4.56 4.01 -1.26 -4.94 118.16 118.31 3dby n LYS 256 Ca 0.12 -4.44 -0.15 0.00 -0.51 0.00 0.00 58.31 53.33 3dby n LYS 256 Cb 0.51 -2.56 -0.06 0.00 -0.51 0.00 0.00 35.03 32.40 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 -1.57 4.95 0.00 0.00 3.84 -1.26 -4.96 114.94 115.94 3dby s ASN 258 Ca -0.09 -0.96 0.24 0.00 0.21 0.00 0.00 52.86 52.26 3dby s ASN 258 Cb -0.01 -1.80 1.27 0.00 -0.55 0.00 0.00 41.25 40.16 3dby s ASN 258 CO 0.04 -0.22 1.78 -0.81 -2.79 0.00 0.00 177.10 175.09 3dby n PRO 259 N 4.76 0.50 -0.04 0.43 -0.04 -1.26 -3.58 135.00 135.76 3dby n PRO 259 Ca -0.14 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 3dby n PRO 259 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.17 0.00 0.00 1.53 4.77 -1.26 -4.80 117.00 116.07 3dby n LEU 260 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3dby n LEU 260 Cb 0.14 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3dby n LEU 260 CO 0.16 0.18 0.00 -0.62 -1.33 0.00 0.00 177.39 175.78