#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8a n LYS 2 N 0.00 -1.78 -0.28 0.03 3.00 -1.26 -4.57 118.16 113.30 1r8a n LYS 2 Ca 0.00 1.36 -0.01 0.00 -0.00 0.00 0.00 58.31 59.66 1r8a n LYS 2 Cb 0.00 -1.40 0.12 0.00 0.00 0.00 0.00 35.03 33.75 1r8a n LYS 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1r8a h VAL 3 N 1.12 1.03 -0.12 3.15 2.07 -1.99 -2.17 116.25 119.34 1r8a h VAL 3 Ca 0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1r8a h VAL 3 Cb 0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1r8a h VAL 3 CO 0.00 0.16 0.07 -0.33 0.02 0.00 0.00 177.57 177.49 1r8a h GLU 4 N 0.87 0.15 0.00 1.57 3.07 -2.00 -1.04 114.58 117.20 1r8a h GLU 4 Ca 0.34 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.91 1r8a h GLU 4 Cb 0.14 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 27.97 1r8a h GLU 4 CO -0.16 0.11 -1.64 1.49 -1.40 0.00 0.00 179.01 177.40 1r8a h GLU 5 N 0.16 0.00 -0.38 2.33 4.81 -1.65 -3.04 114.58 116.80 1r8a h GLU 5 Ca 0.04 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1r8a h GLU 5 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1r8a h GLU 5 CO -0.01 0.51 -0.35 0.82 -0.73 0.00 0.00 179.01 179.25 1r8a h ILE 6 N 0.00 1.28 -0.56 2.32 2.04 -1.05 -2.72 117.51 118.81 1r8a h ILE 6 Ca -0.26 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 1r8a h ILE 6 Cb 1.97 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 1r8a h ILE 6 CO 0.08 0.51 0.14 -0.07 0.00 0.00 0.00 178.15 178.81 1r8a h LEU 7 N 0.73 0.84 -0.70 1.44 3.38 -1.30 -2.02 115.31 117.68 1r8a h LEU 7 Ca 0.07 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1r8a h LEU 7 Cb 0.93 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 1r8a h LEU 7 CO 0.09 0.85 0.40 -0.33 0.09 0.00 0.00 178.44 179.54 1r8a h GLU 8 N 0.79 0.71 -0.08 1.13 5.08 -1.49 -2.14 114.58 118.58 1r8a h GLU 8 Ca 0.17 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 1r8a h GLU 8 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1r8a h GLU 8 CO 0.00 0.47 -0.48 0.87 -1.00 0.00 0.00 179.01 178.87 1r8a h LYS 9 N 0.73 0.20 0.00 2.33 1.57 -1.28 -2.92 116.57 117.20 1r8a h LYS 9 Ca 0.32 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 1r8a h LYS 9 Cb 0.19 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1r8a h LYS 9 CO -0.18 0.64 -0.46 0.00 -0.57 0.00 0.00 179.45 178.87 1r8a h ALA 10 N 1.34 1.00 -0.12 3.86 0.00 -0.85 -2.81 119.26 121.69 1r8a h ALA 10 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1r8a h ALA 10 Cb 0.91 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r8a h ALA 10 CO 0.07 0.58 0.09 -0.07 0.00 0.00 0.00 179.25 179.92 1r8a h LEU 11 N 0.00 0.00 -0.15 0.00 3.38 -1.19 -0.71 115.31 116.63 1r8a h LEU 11 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1r8a h LEU 11 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1r8a h LEU 11 CO 0.06 0.00 -0.89 1.05 0.09 0.00 0.00 178.44 178.75 1r8a h GLU 12 N 0.00 0.00 0.00 1.13 4.11 -1.62 -0.36 114.58 117.84 1r8a h GLU 12 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 1r8a h GLU 12 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1r8a h GLU 12 CO -0.00 0.89 0.00 -0.07 0.07 0.00 0.00 179.01 179.90 1r8a h LEU 13 N 0.00 0.00 0.00 3.06 3.38 -1.26 -3.39 115.31 117.10 1r8a h LEU 13 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1r8a h LEU 13 Cb 1.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 1r8a h LEU 13 CO 0.12 0.00 -1.78 0.55 0.09 0.00 0.00 178.44 177.41 1r8a n VAL 14 N -2.59 0.78 -2.60 1.22 3.14 -0.53 -4.73 118.33 113.02 1r8a n VAL 14 Ca 0.02 -0.28 -0.42 0.00 -2.96 0.00 0.00 64.34 60.70 1r8a n VAL 14 Cb 0.32 -1.12 -0.03 0.00 -1.06 0.00 0.00 33.84 31.96 1r8a n VAL 14 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1r8a s ILE 15 N -2.27 4.58 0.81 1.55 1.01 -0.16 -1.24 121.20 125.48 1r8a s ILE 15 Ca -0.19 1.87 -0.13 0.00 0.00 0.00 0.00 60.65 62.20 1r8a s ILE 15 Cb 0.05 -4.20 0.09 0.00 0.01 0.00 0.00 42.46 38.41 1r8a s ILE 15 CO 0.30 -0.01 1.21 -2.16 0.00 0.00 0.00 174.94 174.28 1r8a s PRO 16 N 2.19 1.59 1.05 2.79 0.04 -1.26 -4.76 135.00 136.65 1r8a s PRO 16 Ca 0.51 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 1r8a s PRO 16 Cb -0.20 -1.77 0.22 0.00 0.04 0.00 0.00 34.50 32.79 1r8a s PRO 16 CO 0.19 -2.25 1.18 0.16 0.04 0.00 0.00 177.00 176.31 1r8a s ASP 17 N -2.14 2.24 0.03 6.66 1.47 -1.26 -4.81 116.67 118.86 1r8a s ASP 17 Ca 0.73 0.63 -0.29 0.00 1.18 0.00 0.00 52.55 54.80 1r8a s ASP 17 Cb -0.29 -0.92 -0.17 0.00 -0.34 0.00 0.00 42.92 41.20 1r8a s ASP 17 CO 0.51 -3.31 1.32 -0.33 0.68 0.00 0.00 175.17 174.04 1r8a h GLU 18 N -2.02 -0.87 0.00 2.11 5.08 -2.01 -2.31 114.58 114.56 1r8a h GLU 18 Ca -0.47 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1r8a h GLU 18 Cb 1.29 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1r8a h GLU 18 CO 0.43 -0.54 0.00 1.49 -1.00 0.00 0.00 179.01 179.39 1r8a h GLU 19 N -1.10 0.00 -0.10 2.33 4.57 -1.98 -1.90 114.58 116.41 1r8a h GLU 19 Ca -0.09 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.96 1r8a h GLU 19 Cb 0.73 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1r8a h GLU 19 CO 0.15 0.00 -0.45 1.49 -1.18 0.00 0.00 179.01 179.02 1r8a h GLU 20 N 0.00 0.48 -0.26 1.92 4.81 -1.83 -0.75 114.58 118.95 1r8a h GLU 20 Ca 0.00 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1r8a h GLU 20 Cb 0.17 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1r8a h GLU 20 CO 0.00 1.01 0.13 0.28 -0.73 0.00 0.00 179.01 179.71 1r8a h VAL 21 N 0.06 1.13 0.00 0.32 2.07 -0.81 -2.23 116.25 116.80 1r8a h VAL 21 Ca -0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1r8a h VAL 21 Cb 1.09 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1r8a h VAL 21 CO 0.09 0.13 0.00 0.03 0.02 0.00 0.00 177.57 177.85 1r8a h ARG 22 N 0.30 0.00 -0.09 1.57 3.08 -1.55 -1.42 114.38 116.27 1r8a h ARG 22 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 1r8a h ARG 22 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1r8a h ARG 22 CO -0.01 0.00 -0.59 -0.22 -1.07 0.00 0.00 179.97 178.07 1r8a h LYS 23 N 0.00 0.30 0.00 0.04 3.64 -0.89 -3.05 116.57 116.61 1r8a h LYS 23 Ca 0.00 -0.21 -0.19 0.00 -1.27 0.00 0.00 60.65 58.98 1r8a h LYS 23 Cb 0.77 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 1r8a h LYS 23 CO 0.00 0.81 -0.91 0.78 -2.27 0.00 0.00 179.45 177.86 1r8a h GLY 24 N 1.38 0.00 0.87 5.01 0.00 -0.99 -3.06 103.07 106.28 1r8a h GLY 24 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1r8a h GLY 24 CO 0.10 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.55 1r8a h ARG 25 N 0.00 0.50 0.02 4.80 2.43 -1.26 -1.07 114.38 119.81 1r8a h ARG 25 Ca -0.01 -0.16 -0.21 0.00 -0.81 0.00 0.00 59.98 58.79 1r8a h ARG 25 Cb 1.62 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 1r8a h ARG 25 CO 0.12 0.65 -0.99 0.93 -1.51 0.00 0.00 179.97 179.17 1r8a h GLU 26 N 0.29 0.08 0.00 0.20 5.08 -1.66 -0.61 114.58 117.96 1r8a h GLU 26 Ca 0.08 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1r8a h GLU 26 Cb 0.42 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1r8a h GLU 26 CO 0.01 1.00 -0.11 0.00 -1.00 0.00 0.00 179.01 178.91 1r8a h ALA 27 N 0.96 1.05 0.00 3.43 0.00 -1.52 -1.22 119.26 121.96 1r8a h ALA 27 Ca -0.04 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1r8a h ALA 27 Cb 1.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 1r8a h ALA 27 CO 0.14 0.14 -1.04 1.49 0.00 0.00 0.00 179.25 179.98 1r8a h GLU 28 N 0.00 0.00 0.05 0.00 4.81 -0.82 -2.87 114.58 115.75 1r8a h GLU 28 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 1r8a h GLU 28 Cb 0.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1r8a h GLU 28 CO 0.01 0.54 -1.29 1.49 -0.73 0.00 0.00 179.01 179.04 1r8a h GLU 29 N 0.00 0.11 -0.24 1.92 4.81 -0.89 -2.65 114.58 117.64 1r8a h GLU 29 Ca -0.09 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.87 1r8a h GLU 29 Cb 1.61 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1r8a h GLU 29 CO 0.08 0.99 -0.14 1.49 -0.73 0.00 0.00 179.01 180.69 1r8a h GLU 30 N 0.03 0.52 -0.20 1.92 4.57 -1.35 -2.49 114.58 117.58 1r8a h GLU 30 Ca -0.13 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.75 1r8a h GLU 30 Cb 1.91 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.48 1r8a h GLU 30 CO 0.14 0.80 -0.07 1.25 -1.18 0.00 0.00 179.01 179.95 1r8a h LEU 31 N 0.24 0.42 -0.44 1.64 5.85 -1.60 -1.79 115.31 119.63 1r8a h LEU 31 Ca 0.05 -0.39 0.08 0.00 0.84 0.00 0.00 57.88 58.46 1r8a h LEU 31 Cb 0.66 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1r8a h LEU 31 CO 0.04 0.71 0.01 0.03 -0.34 0.00 0.00 178.44 178.90 1r8a h ARG 32 N 0.12 0.12 -0.24 1.25 3.08 -1.56 -2.14 114.38 115.01 1r8a h ARG 32 Ca 0.05 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.11 1r8a h ARG 32 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1r8a h ARG 32 CO 0.02 0.08 0.16 -0.09 -1.07 0.00 0.00 179.97 179.08 1r8a h ARG 33 N 0.13 0.26 0.00 0.04 2.43 -1.08 0.17 114.38 116.33 1r8a h ARG 33 Ca 0.22 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1r8a h ARG 33 Cb 0.31 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1r8a h ARG 33 CO -0.35 0.17 -0.03 0.00 -1.51 0.00 0.00 179.97 178.25 1r8a h ARG 34 N 0.27 0.01 -0.36 0.20 3.08 -0.89 -2.90 114.38 113.80 1r8a h ARG 34 Ca 0.10 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1r8a h ARG 34 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1r8a h ARG 34 CO -0.02 0.90 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.60 1r8a h LEU 35 N -0.86 0.59 -0.35 3.04 3.38 -1.28 -2.83 115.31 117.00 1r8a h LEU 35 Ca -0.00 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1r8a h LEU 35 Cb 0.91 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1r8a h LEU 35 CO 0.01 0.73 -0.27 0.44 0.09 0.00 0.00 178.44 179.44 1r8a h ASP 36 N 0.56 0.85 0.05 -0.43 5.19 -0.77 -2.22 116.42 119.65 1r8a h ASP 36 Ca 0.10 -0.44 -0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1r8a h ASP 36 Cb 0.52 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 1r8a h ASP 36 CO 0.03 1.12 -0.02 -0.08 -3.12 0.00 0.00 179.24 177.17 1r8a h GLU 37 N 0.60 0.00 0.00 3.56 4.81 -1.40 -2.66 114.58 119.49 1r8a h GLU 37 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1r8a h GLU 37 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1r8a h GLU 37 CO 0.07 0.02 -1.22 1.28 -0.73 0.00 0.00 179.01 178.43 1r8a n LEU 38 N -3.88 0.55 0.00 1.64 4.77 -1.05 -5.00 117.00 114.03 1r8a n LEU 38 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1r8a n LEU 38 Cb 0.10 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1r8a n LEU 38 CO 0.28 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1r8a n GLY 39 N 1.33 0.46 3.75 -0.72 0.00 -0.86 -5.04 105.19 104.11 1r8a n GLY 39 Ca 0.01 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1r8a n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r8a s VAL 40 N -2.00 4.06 -0.15 1.61 1.01 -1.14 -5.04 120.40 118.75 1r8a s VAL 40 Ca 0.00 2.05 -0.26 0.00 0.00 0.00 0.00 61.98 63.78 1r8a s VAL 40 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1r8a s VAL 40 CO 0.00 0.48 0.84 -1.61 0.00 0.00 0.00 175.10 174.82 1r8a s GLU 41 N -1.13 4.33 0.20 2.72 8.01 -1.26 -4.82 118.70 126.75 1r8a s GLU 41 Ca 0.42 1.06 -0.09 0.00 0.01 0.00 0.00 54.97 56.37 1r8a s GLU 41 Cb -0.26 -3.56 -0.01 0.00 -4.31 0.00 0.00 34.13 25.99 1r8a s GLU 41 CO 0.32 -0.29 0.33 1.52 0.01 0.00 0.00 175.26 177.15 1r8a s TYR 42 N 2.00 0.55 -0.14 1.61 -0.85 -1.26 -1.34 117.35 117.91 1r8a s TYR 42 Ca 0.40 -0.88 -0.09 0.00 -0.52 0.00 0.00 57.07 55.97 1r8a s TYR 42 Cb -0.17 -0.07 0.05 0.00 0.38 0.00 0.00 41.96 42.15 1r8a s TYR 42 CO 0.14 -0.81 0.35 0.54 -1.52 0.00 0.00 175.55 174.25 1r8a s VAL 43 N -4.03 -0.02 0.05 -3.49 0.11 -0.46 -4.92 120.40 107.65 1r8a s VAL 43 Ca 0.24 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 1r8a s VAL 43 Cb 0.03 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1r8a s VAL 43 CO 0.06 0.03 1.02 -0.36 -3.33 0.00 0.00 175.10 172.52 1r8a s PHE 44 N 0.95 3.65 0.03 1.54 0.40 -1.26 -1.64 117.98 121.66 1r8a s PHE 44 Ca -0.06 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 57.92 1r8a s PHE 44 Cb -0.07 -3.17 -0.00 0.00 0.51 0.00 0.00 43.02 40.29 1r8a s PHE 44 CO -0.07 -0.23 0.01 1.33 0.70 0.00 0.00 175.22 176.96 1r8a n VAL 45 N 3.48 0.00 -2.14 -0.44 0.24 -0.61 -4.87 118.33 114.00 1r8a n VAL 45 Ca 0.05 -0.20 0.08 0.00 -2.04 0.00 0.00 64.34 62.24 1r8a n VAL 45 Cb 0.49 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 1r8a n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r8a n GLY 46 N 2.27 -1.82 0.14 7.63 0.00 -1.26 -3.89 105.19 108.25 1r8a n GLY 46 Ca -0.01 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.89 1r8a n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r8a h SER 47 N -0.56 0.00 -0.23 1.61 4.64 -1.96 -2.62 113.55 114.43 1r8a h SER 47 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 1r8a h SER 47 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1r8a h SER 47 CO 0.00 0.00 -0.03 0.22 -0.87 0.00 0.00 176.83 176.15 1r8a h TYR 48 N 0.00 0.47 -0.25 4.77 3.20 -1.76 -0.85 116.97 122.54 1r8a h TYR 48 Ca 0.00 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.82 1r8a h TYR 48 Cb 0.77 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1r8a h TYR 48 CO 0.00 0.63 0.17 0.00 -1.64 0.00 0.00 178.16 177.32 1r8a h ALA 49 N 0.77 2.02 -0.49 1.82 0.00 -1.58 -2.33 119.26 119.47 1r8a h ALA 49 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1r8a h ALA 49 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1r8a h ALA 49 CO 0.02 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.74 1r8a n ARG 50 N -4.49 2.54 -2.60 0.00 1.74 -1.13 -4.97 116.66 107.75 1r8a n ARG 50 Ca 0.02 -2.33 -0.19 0.00 -0.77 0.00 0.00 57.85 54.58 1r8a n ARG 50 Cb 0.20 -1.48 -0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1r8a n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1r8a n ASN 51 N 1.35 -5.14 -0.65 0.55 2.85 -0.39 -4.82 115.26 109.02 1r8a n ASN 51 Ca 0.19 -0.03 0.07 0.00 -0.11 0.00 0.00 54.58 54.71 1r8a n ASN 51 Cb 0.57 -4.27 0.10 0.00 1.24 0.00 0.00 39.78 37.41 1r8a n ASN 51 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1r8a n THR 52 N -3.89 0.24 -2.82 -0.44 -2.24 -0.83 -4.80 114.28 99.50 1r8a n THR 52 Ca -0.17 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.64 1r8a n THR 52 Cb 0.64 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.91 1r8a n THR 52 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1r8a s TRP 53 N -1.17 3.48 0.57 4.78 -2.14 -1.21 -4.36 118.94 118.89 1r8a s TRP 53 Ca 0.21 1.67 -0.18 0.00 2.66 0.00 0.00 56.10 60.45 1r8a s TRP 53 Cb 0.13 -2.87 -0.05 0.00 -3.10 0.00 0.00 33.47 27.59 1r8a s TRP 53 CO 0.19 0.04 1.10 -1.17 -2.66 0.00 0.00 176.95 174.45 1r8a s LEU 54 N -2.68 3.64 0.02 -4.66 2.96 -1.26 -4.61 118.68 112.09 1r8a s LEU 54 Ca 0.56 2.05 -0.32 0.00 -0.22 0.00 0.00 54.13 56.20 1r8a s LEU 54 Cb -0.13 -4.56 -0.11 0.00 0.50 0.00 0.00 46.19 41.89 1r8a s LEU 54 CO 0.18 -1.25 1.88 1.17 -1.32 0.00 0.00 176.35 177.01 1r8a n LYS 55 N -1.62 2.52 0.00 1.98 4.81 -0.37 -1.87 118.16 123.62 1r8a n LYS 55 Ca 0.11 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1r8a n LYS 55 Cb 0.52 -2.81 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1r8a n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r8a n GLY 56 N 4.33 3.15 2.70 3.14 0.00 -1.26 -4.95 105.19 112.30 1r8a n GLY 56 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1r8a n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r8a n SER 57 N 0.00 5.96 -4.66 1.61 7.64 -0.78 -5.02 113.62 118.37 1r8a n SER 57 Ca 0.00 -3.76 -0.43 0.00 1.01 0.00 0.00 58.87 55.69 1r8a n SER 57 Cb 0.00 -0.75 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 1r8a n SER 57 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1r8a s LEU 58 N -3.80 4.23 -0.12 -3.43 2.96 -1.26 -4.69 118.68 112.58 1r8a s LEU 58 Ca 0.49 1.87 -0.05 0.00 -0.22 0.00 0.00 54.13 56.22 1r8a s LEU 58 Cb 0.39 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.60 1r8a s LEU 58 CO -0.27 -0.82 0.26 -0.70 -1.32 0.00 0.00 176.35 173.50 1r8a s GLU 59 N 3.69 0.21 -0.17 1.98 2.12 -1.26 -4.48 118.70 120.78 1r8a s GLU 59 Ca 0.61 0.59 -0.05 0.00 0.36 0.00 0.00 54.97 56.48 1r8a s GLU 59 Cb -0.26 -0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 1r8a s GLU 59 CO 0.20 -0.19 0.01 0.42 -0.54 0.00 0.00 175.26 175.16 1r8a s ILE 60 N 1.50 4.31 -0.14 -3.70 1.01 -0.59 -4.21 121.20 119.38 1r8a s ILE 60 Ca -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1r8a s ILE 60 Cb -0.11 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1r8a s ILE 60 CO -0.09 0.48 -0.12 -1.81 0.00 0.00 0.00 174.94 173.40 1r8a s ASP 61 N 0.35 4.10 -0.08 3.58 1.01 -1.26 -1.56 116.67 122.81 1r8a s ASP 61 Ca -0.01 -0.31 0.02 0.00 0.71 0.00 0.00 52.55 52.96 1r8a s ASP 61 Cb -0.13 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.18 1r8a s ASP 61 CO 0.02 0.16 -0.13 -0.69 0.21 0.00 0.00 175.17 174.74 1r8a s VAL 62 N 0.40 1.23 -0.19 -1.27 1.01 -0.10 -1.57 120.40 119.92 1r8a s VAL 62 Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1r8a s VAL 62 Cb -0.16 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1r8a s VAL 62 CO 0.05 0.38 0.02 -0.36 0.00 0.00 0.00 175.10 175.19 1r8a s PHE 63 N 0.90 3.10 -0.05 5.22 0.40 -0.65 -1.66 117.98 125.24 1r8a s PHE 63 Ca -0.10 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.73 1r8a s PHE 63 Cb -0.15 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1r8a s PHE 63 CO 0.01 -0.07 0.86 -0.51 0.70 0.00 0.00 175.22 176.21 1r8a s LEU 64 N 0.69 4.32 -0.63 -0.37 1.43 0.09 -1.35 118.68 122.86 1r8a s LEU 64 Ca 0.01 1.41 -0.09 0.00 -1.03 0.00 0.00 54.13 54.43 1r8a s LEU 64 Cb -0.14 -3.35 0.16 0.00 0.03 0.00 0.00 46.19 42.90 1r8a s LEU 64 CO 0.02 -0.24 0.51 -0.76 0.23 0.00 0.00 176.35 176.11 1r8a s LEU 65 N 1.15 5.92 -0.10 1.79 1.43 -0.45 -1.64 118.68 126.79 1r8a s LEU 65 Ca 0.45 -2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 51.12 1r8a s LEU 65 Cb -0.19 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1r8a s LEU 65 CO 0.22 -0.58 -0.03 -0.36 0.23 0.00 0.00 176.35 175.83 1r8a s PHE 66 N 0.61 3.06 0.26 0.29 0.40 -0.86 -4.60 117.98 117.14 1r8a s PHE 66 Ca 0.12 0.02 -0.27 0.00 -0.60 0.00 0.00 56.93 56.20 1r8a s PHE 66 Cb -0.20 -1.81 -0.15 0.00 0.51 0.00 0.00 43.02 41.37 1r8a s PHE 66 CO -0.04 0.30 0.70 -2.30 0.70 0.00 0.00 175.22 174.58 1r8a n PRO 67 N 2.53 0.59 -0.04 0.24 -0.02 -1.26 -1.00 135.00 136.04 1r8a n PRO 67 Ca -0.18 0.21 0.24 0.00 -2.02 0.00 0.00 63.50 61.75 1r8a n PRO 67 Cb 0.53 -1.38 0.72 0.00 -0.02 0.00 0.00 33.50 33.35 1r8a n PRO 67 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1r8a h GLU 68 N 1.35 0.00 -2.71 -0.52 5.08 -1.96 -2.67 114.58 113.15 1r8a h GLU 68 Ca -0.34 0.00 -0.78 0.00 -1.00 0.00 0.00 59.36 57.24 1r8a h GLU 68 Cb 1.40 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.44 1r8a h GLU 68 CO 0.58 0.00 1.59 -1.91 -1.00 0.00 0.00 179.01 178.27 1r8a n GLU 69 N -3.93 4.68 -4.94 2.33 4.07 -1.26 -4.90 120.64 116.68 1r8a n GLU 69 Ca 0.13 -4.07 -0.27 0.00 -0.06 0.00 0.00 57.16 52.89 1r8a n GLU 69 Cb 0.81 -2.61 -0.16 0.00 -0.06 0.00 0.00 31.44 29.43 1r8a n GLU 69 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1r8a s PHE 70 N -2.23 1.82 1.16 4.31 0.40 -1.01 -5.15 117.98 117.28 1r8a s PHE 70 Ca 0.42 -0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 56.14 1r8a s PHE 70 Cb 0.14 -1.19 0.27 0.00 0.51 0.00 0.00 43.02 42.75 1r8a s PHE 70 CO -0.05 -0.11 1.07 0.45 0.70 0.00 0.00 175.22 177.28 1r8a s SER 71 N -0.22 1.21 0.27 1.36 0.15 -1.26 -4.83 113.70 110.38 1r8a s SER 71 Ca 0.02 0.95 0.26 0.00 0.70 0.00 0.00 55.95 57.87 1r8a s SER 71 Cb -0.10 -1.43 0.75 0.00 -1.71 0.00 0.00 66.02 63.53 1r8a s SER 71 CO 0.01 -3.98 1.75 0.50 1.20 0.00 0.00 173.24 172.72 1r8a h LYS 72 N -2.48 0.00 0.00 5.44 3.64 -2.00 -2.92 116.57 118.25 1r8a h LYS 72 Ca -0.51 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.51 1r8a h LYS 72 Cb 1.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.07 1r8a h LYS 72 CO 0.44 0.00 -2.36 -1.91 -2.27 0.00 0.00 179.45 173.35 1r8a n GLU 73 N -2.44 0.76 0.07 1.90 0.00 -1.26 -4.00 120.64 115.67 1r8a n GLU 73 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 57.16 57.18 1r8a n GLU 73 Cb 0.43 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.53 1r8a n GLU 73 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1r8a h GLU 74 N 0.00 0.30 0.00 5.31 5.08 -1.93 -1.59 114.58 121.76 1r8a h GLU 74 Ca -0.54 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 57.53 1r8a h GLU 74 Cb 2.16 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.40 1r8a h GLU 74 CO 0.01 0.71 -0.63 1.25 -1.00 0.00 0.00 179.01 179.36 1r8a h LEU 75 N 0.24 0.00 -0.33 1.33 6.46 -1.74 -2.61 115.31 118.66 1r8a h LEU 75 Ca 0.01 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.64 1r8a h LEU 75 Cb 0.93 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.84 1r8a h LEU 75 CO 0.08 0.63 -0.63 -0.09 -0.62 0.00 0.00 178.44 177.81 1r8a h ARG 76 N 0.00 0.00 0.00 1.25 2.43 -1.61 -2.42 114.38 114.03 1r8a h ARG 76 Ca -0.01 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1r8a h ARG 76 Cb 1.36 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 1r8a h ARG 76 CO 0.08 0.63 -0.70 0.93 -1.51 0.00 0.00 179.97 179.40 1r8a h GLU 77 N 0.00 0.00 -0.74 0.20 5.08 -1.36 -3.36 114.58 114.40 1r8a h GLU 77 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1r8a h GLU 77 Cb 1.34 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.52 1r8a h GLU 77 CO 0.08 0.26 0.42 -0.09 -1.00 0.00 0.00 179.01 178.68 1r8a h ARG 78 N -1.00 0.71 -0.06 2.33 9.65 -1.62 -2.02 114.38 122.37 1r8a h ARG 78 Ca -0.09 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1r8a h ARG 78 Cb 0.71 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1r8a h ARG 78 CO -0.06 0.47 0.01 0.78 2.80 0.00 0.00 179.97 183.98 1r8a h GLY 79 N 0.74 0.08 1.09 2.80 0.00 -1.64 -2.52 103.07 103.61 1r8a h GLY 79 Ca 0.34 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.49 1r8a h GLY 79 CO -0.21 0.03 -1.30 1.41 0.00 0.00 0.00 176.54 176.47 1r8a h LEU 80 N 0.08 0.00 -1.45 3.11 3.38 -1.57 -3.21 115.31 115.64 1r8a h LEU 80 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1r8a h LEU 80 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1r8a h LEU 80 CO -0.00 0.53 0.16 -0.08 0.09 0.00 0.00 178.44 179.14 1r8a h GLU 81 N 0.00 0.53 0.07 1.13 4.81 -0.95 -1.88 114.58 118.29 1r8a h GLU 81 Ca -0.14 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 58.78 1r8a h GLU 81 Cb 1.53 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.80 1r8a h GLU 81 CO 0.04 0.43 -1.10 0.82 -0.73 0.00 0.00 179.01 178.48 1r8a h ILE 82 N 0.53 1.50 0.00 2.32 2.04 -1.61 -3.08 117.51 119.21 1r8a h ILE 82 Ca 0.13 -2.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.04 1r8a h ILE 82 Cb 0.10 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1r8a h ILE 82 CO -0.02 0.85 -0.29 1.23 0.00 0.00 0.00 178.15 179.93 1r8a h GLY 83 N 1.67 0.00 0.81 5.37 0.00 -1.49 -1.08 103.07 108.35 1r8a h GLY 83 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1r8a h GLY 83 CO 0.18 0.00 -0.14 0.50 0.00 0.00 0.00 176.54 177.08 1r8a h LYS 84 N 0.00 0.45 0.00 4.80 1.57 -1.38 -3.01 116.57 119.00 1r8a h LYS 84 Ca -0.00 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1r8a h LYS 84 Cb 0.51 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1r8a h LYS 84 CO 0.04 0.77 -0.15 0.00 -0.57 0.00 0.00 179.45 179.53 1r8a h ALA 85 N 0.67 0.99 0.00 3.86 0.00 -1.37 -3.21 119.26 120.19 1r8a h ALA 85 Ca 0.04 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1r8a h ALA 85 Cb 0.66 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1r8a h ALA 85 CO 0.04 0.19 -2.05 0.28 0.00 0.00 0.00 179.25 177.71 1r8a n VAL 86 N -3.25 0.39 -3.89 0.00 0.31 -0.44 -4.96 118.33 106.49 1r8a n VAL 86 Ca 0.01 -0.59 -0.36 0.00 -0.01 0.00 0.00 64.34 63.39 1r8a n VAL 86 Cb 0.43 -0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.16 1r8a n VAL 86 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r8a s LEU 87 N -4.82 4.38 0.17 7.52 1.43 -1.14 -4.96 118.68 121.27 1r8a s LEU 87 Ca -0.08 0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 1r8a s LEU 87 Cb 0.12 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 44.17 1r8a s LEU 87 CO 0.88 0.36 1.63 0.44 0.23 0.00 0.00 176.35 179.90 1r8a h ASP 88 N 4.58 -0.68 -4.05 2.29 5.19 -1.66 -3.43 116.42 118.66 1r8a h ASP 88 Ca -0.53 0.15 -0.31 0.00 -0.62 0.00 0.00 57.03 55.72 1r8a h ASP 88 Cb 1.22 0.36 -0.27 0.00 0.18 0.00 0.00 39.33 40.82 1r8a h ASP 88 CO 0.62 -0.23 -0.75 -0.94 -3.12 0.00 0.00 179.24 174.82 1r8a s SER 89 N -5.13 0.62 0.06 6.45 1.04 -1.24 -5.03 113.70 110.46 1r8a s SER 89 Ca -0.14 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.18 1r8a s SER 89 Cb 0.14 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1r8a s SER 89 CO 0.70 0.01 -0.18 -0.72 0.98 0.00 0.00 173.24 174.03 1r8a s TYR 90 N -0.34 1.58 0.12 5.02 -0.85 -1.26 -2.63 117.35 118.99 1r8a s TYR 90 Ca -0.00 -0.38 -0.08 0.00 -0.52 0.00 0.00 57.07 56.08 1r8a s TYR 90 Cb -0.03 -0.92 -0.01 0.00 0.38 0.00 0.00 41.96 41.38 1r8a s TYR 90 CO -0.00 0.10 0.23 -1.83 -1.52 0.00 0.00 175.55 172.52 1r8a s GLU 91 N -1.36 0.99 -0.56 -3.49 -1.05 -1.24 -4.98 118.70 107.01 1r8a s GLU 91 Ca 0.05 -1.08 -0.06 0.00 -0.15 0.00 0.00 54.97 53.73 1r8a s GLU 91 Cb -0.09 0.35 0.15 0.00 -0.44 0.00 0.00 34.13 34.10 1r8a s GLU 91 CO 0.02 -0.34 0.41 0.42 0.95 0.00 0.00 175.26 176.72 1r8a s ILE 92 N -3.92 4.02 0.66 1.83 1.09 -1.26 -1.41 121.20 122.21 1r8a s ILE 92 Ca 0.11 -2.38 -0.02 0.00 -1.10 0.00 0.00 60.65 57.26 1r8a s ILE 92 Cb 0.04 -3.63 0.08 0.00 -1.06 0.00 0.00 42.46 37.89 1r8a s ILE 92 CO -0.05 -0.83 0.93 -0.13 -0.10 0.00 0.00 174.94 174.75 1r8a s ARG 93 N 0.62 2.10 -0.09 2.79 0.52 -1.02 -4.85 118.95 119.03 1r8a s ARG 93 Ca 0.12 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.61 1r8a s ARG 93 Cb -0.21 -2.33 0.02 0.00 0.52 0.00 0.00 34.95 32.95 1r8a s ARG 93 CO -0.03 -1.15 -0.09 0.71 0.02 0.00 0.00 175.30 174.76 1r8a s TYR 94 N -3.05 1.38 -0.25 -0.53 1.51 -1.26 -2.39 117.35 112.76 1r8a s TYR 94 Ca 0.61 -0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1r8a s TYR 94 Cb -0.09 -1.10 -0.15 0.00 -0.11 0.00 0.00 41.96 40.51 1r8a s TYR 94 CO 0.42 -0.39 -0.13 0.00 -1.11 0.00 0.00 175.55 174.35 1r8a n ALA 95 N 4.43 1.05 0.00 3.71 0.00 -1.26 -4.96 120.51 123.48 1r8a n ALA 95 Ca -0.18 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1r8a n ALA 95 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1r8a n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1r8a n GLU 96 N -4.25 0.00 -4.18 0.00 0.00 -1.26 -5.11 120.64 105.84 1r8a n GLU 96 Ca -0.46 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.46 1r8a n GLU 96 Cb 0.82 -0.06 -0.06 0.00 0.00 0.00 0.00 31.44 32.14 1r8a n GLU 96 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1r8a s HIS 97 N -1.87 2.94 0.72 -1.84 3.76 -1.26 -5.12 115.29 112.61 1r8a s HIS 97 Ca 0.00 -0.13 -0.16 0.00 -0.15 0.00 0.00 55.06 54.62 1r8a s HIS 97 Cb 0.00 -1.35 0.01 0.00 1.11 0.00 0.00 32.58 32.35 1r8a s HIS 97 CO 0.00 0.55 1.07 -2.30 -0.85 0.00 0.00 174.74 173.21 1r8a n PRO 98 N -0.72 0.59 -3.58 8.40 -0.02 -1.26 -4.62 135.00 133.78 1r8a n PRO 98 Ca -0.08 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1r8a n PRO 98 Cb 0.57 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1r8a n PRO 98 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1r8a s TYR 99 N -1.77 -0.48 -0.24 6.00 -0.85 -1.00 -4.80 117.35 114.21 1r8a s TYR 99 Ca 0.75 0.94 -0.27 0.00 -0.52 0.00 0.00 57.07 57.98 1r8a s TYR 99 Cb -0.35 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.41 1r8a s TYR 99 CO 0.48 -0.38 0.94 0.08 -1.52 0.00 0.00 175.55 175.16 1r8a s VAL 100 N -0.74 4.75 -0.32 -3.49 1.01 -0.06 -2.42 120.40 119.13 1r8a s VAL 100 Ca -0.03 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.80 1r8a s VAL 100 Cb -0.02 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1r8a s VAL 100 CO 0.02 -0.13 0.01 -2.28 0.00 0.00 0.00 175.10 172.72 1r8a s HIS 101 N 3.03 3.57 0.00 5.22 2.46 -0.50 0.98 115.29 130.05 1r8a s HIS 101 Ca 0.40 -2.67 0.00 0.00 0.47 0.00 0.00 55.06 53.26 1r8a s HIS 101 Cb -0.15 -2.59 0.00 0.00 -0.13 0.00 0.00 32.58 29.71 1r8a s HIS 101 CO 0.07 -0.92 0.00 0.41 -2.47 0.00 0.00 174.74 171.83 1r8a n GLY 102 N 4.36 5.59 3.08 1.59 0.00 -0.24 -3.58 105.19 115.99 1r8a n GLY 102 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1r8a n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r8a s VAL 103 N 1.67 0.05 -0.08 1.61 1.01 -1.08 -1.23 120.40 122.35 1r8a s VAL 103 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1r8a s VAL 103 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1r8a s VAL 103 CO 0.00 -0.24 0.04 -0.69 0.00 0.00 0.00 175.10 174.21 1r8a s VAL 104 N -0.83 0.14 -1.44 2.92 1.01 -0.63 -1.77 120.40 119.80 1r8a s VAL 104 Ca -0.09 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 1r8a s VAL 104 Cb -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1r8a s VAL 104 CO 0.01 0.14 0.32 0.29 0.00 0.00 0.00 175.10 175.85 1r8a n LYS 105 N 5.22 -2.71 -1.15 2.72 5.02 -1.26 -2.35 118.16 123.65 1r8a n LYS 105 Ca -0.06 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1r8a n LYS 105 Cb 0.50 -4.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.21 1r8a n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r8a n GLY 106 N -2.13 0.42 2.76 0.72 0.00 -1.26 -4.83 105.19 100.87 1r8a n GLY 106 Ca -0.31 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 1r8a n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r8a s VAL 107 N -2.00 0.32 -0.03 1.61 1.01 -0.99 -5.09 120.40 115.22 1r8a s VAL 107 Ca 0.00 0.14 -0.38 0.00 0.00 0.00 0.00 61.98 61.74 1r8a s VAL 107 Cb 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 36.38 35.71 1r8a s VAL 107 CO 0.00 0.23 1.40 1.21 0.00 0.00 0.00 175.10 177.94 1r8a n GLU 108 N 5.17 0.93 -4.59 2.72 0.00 -1.26 -1.60 120.64 122.00 1r8a n GLU 108 Ca -0.07 0.34 -0.22 0.00 0.00 0.00 0.00 57.16 57.21 1r8a n GLU 108 Cb 0.50 -1.96 -0.15 0.00 0.00 0.00 0.00 31.44 29.83 1r8a n GLU 108 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1r8a s VAL 109 N 1.20 1.04 -0.20 6.31 1.01 -0.37 -1.54 120.40 127.85 1r8a s VAL 109 Ca 0.89 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.27 1r8a s VAL 109 Cb -1.05 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1r8a s VAL 109 CO 0.54 0.30 0.01 -1.81 0.00 0.00 0.00 175.10 174.14 1r8a s ASP 110 N -0.21 4.95 -0.17 3.32 1.01 -0.60 -1.08 116.67 123.89 1r8a s ASP 110 Ca 0.03 -0.16 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 1r8a s ASP 110 Cb -0.06 -1.85 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1r8a s ASP 110 CO -0.00 0.08 -0.03 -0.69 0.21 0.00 0.00 175.17 174.73 1r8a s VAL 111 N 0.92 3.85 -0.13 -1.27 1.01 0.28 -0.92 120.40 124.13 1r8a s VAL 111 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1r8a s VAL 111 Cb -0.14 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1r8a s VAL 111 CO 0.02 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 1r8a s VAL 112 N 0.53 0.93 0.20 2.92 1.01 -0.66 -0.88 120.40 124.45 1r8a s VAL 112 Ca -0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 1r8a s VAL 112 Cb -0.14 -1.06 -0.08 0.00 0.00 0.00 0.00 36.38 35.10 1r8a s VAL 112 CO 0.03 0.23 1.24 -2.16 0.00 0.00 0.00 175.10 174.44 1r8a s PRO 113 N 1.73 4.46 0.01 2.72 0.04 -1.26 -0.74 135.00 141.96 1r8a s PRO 113 Ca 0.03 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.75 1r8a s PRO 113 Cb -0.14 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.28 1r8a s PRO 113 CO -0.08 -0.14 0.76 0.00 0.04 0.00 0.00 177.00 177.59 1r8a s TYR 115 N -2.52 2.89 -0.38 0.00 1.51 -1.26 -2.03 117.35 115.56 1r8a s TYR 115 Ca -0.01 0.94 -0.29 0.00 -1.01 0.00 0.00 57.07 56.69 1r8a s TYR 115 Cb -0.01 -3.93 0.01 0.00 -0.11 0.00 0.00 41.96 37.92 1r8a s TYR 115 CO -0.04 -3.05 1.40 0.21 -1.11 0.00 0.00 175.55 172.96 1r8a s LYS 116 N -0.51 3.65 -0.03 -0.62 2.20 -0.17 -4.69 119.74 119.57 1r8a s LYS 116 Ca 0.61 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 57.26 1r8a s LYS 116 Cb -0.44 -4.00 0.01 0.00 -1.51 0.00 0.00 37.83 31.89 1r8a s LYS 116 CO 0.46 -1.47 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.38 1r8a s LEU 117 N 5.22 1.70 -0.16 5.43 1.43 -1.26 -4.29 118.68 126.75 1r8a s LEU 117 Ca 0.61 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1r8a s LEU 117 Cb -0.15 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1r8a s LEU 117 CO 0.31 0.04 0.02 -0.54 0.23 0.00 0.00 176.35 176.41 1r8a s LYS 118 N 0.36 3.75 0.10 1.70 -0.14 -1.26 -4.92 119.74 119.32 1r8a s LYS 118 Ca -0.06 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 54.15 1r8a s LYS 118 Cb -0.10 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 1r8a s LYS 118 CO 0.01 0.33 0.00 0.39 -0.76 0.00 0.00 175.35 175.32 1r8a n GLU 119 N 3.33 -1.70 0.00 1.68 1.02 -1.26 -5.03 120.64 118.68 1r8a n GLU 119 Ca -0.17 1.37 0.00 0.00 -0.02 0.00 0.00 57.16 58.34 1r8a n GLU 119 Cb 0.53 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1r8a n GLU 119 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1r8a n PRO 120 N 0.18 0.88 -1.97 3.49 -0.04 -1.26 -4.35 135.00 131.93 1r8a n PRO 120 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 1r8a n PRO 120 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1r8a n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r8a n LYS 121 N -0.09 -1.40 -2.45 0.54 5.02 -1.26 -4.84 118.16 113.68 1r8a n LYS 121 Ca 0.00 1.03 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 1r8a n LYS 121 Cb 0.00 -5.45 0.06 0.00 -0.02 0.00 0.00 35.03 29.62 1r8a n LYS 121 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1r8a n ASN 122 N -1.31 0.32 -4.43 4.39 5.15 -1.26 -5.12 115.26 112.99 1r8a n ASN 122 Ca -0.21 -2.08 -0.22 0.00 -0.60 0.00 0.00 54.58 51.48 1r8a n ASN 122 Cb 0.64 -0.02 -0.10 0.00 -0.53 0.00 0.00 39.78 39.77 1r8a n ASN 122 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1r8a s ILE 123 N -1.75 2.03 0.00 -1.44 -4.36 -1.26 -5.01 121.20 109.41 1r8a s ILE 123 Ca 0.20 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1r8a s ILE 123 Cb 0.34 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.75 1r8a s ILE 123 CO -0.08 -0.41 0.00 0.29 0.24 0.00 0.00 174.94 174.98 1r8a n LYS 124 N -0.56 2.64 -2.80 0.37 5.02 -1.26 -5.09 118.16 116.47 1r8a n LYS 124 Ca -0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.15 1r8a n LYS 124 Cb 0.61 -0.98 -0.03 0.00 -0.02 0.00 0.00 35.03 34.62 1r8a n LYS 124 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1r8a n SER 125 N -2.11 0.60 0.26 4.39 3.41 -1.26 -5.02 113.62 113.90 1r8a n SER 125 Ca 0.00 -1.75 0.15 0.00 -0.26 0.00 0.00 58.87 57.02 1r8a n SER 125 Cb 0.48 0.43 0.61 0.00 -0.26 0.00 0.00 64.21 65.47 1r8a n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r8a h ALA 126 N 1.28 1.01 -0.38 7.33 0.00 -2.01 -3.28 119.26 123.22 1r8a h ALA 126 Ca -0.10 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1r8a h ALA 126 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r8a h ALA 126 CO 0.15 0.08 -0.15 0.28 0.00 0.00 0.00 179.25 179.61 1r8a h VAL 127 N 0.00 1.28 0.00 0.00 2.07 -1.99 -3.22 116.25 114.40 1r8a h VAL 127 Ca -0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1r8a h VAL 127 Cb 0.58 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1r8a h VAL 127 CO 0.01 0.42 0.00 0.44 0.02 0.00 0.00 177.57 178.46 1r8a h ASP 128 N 0.56 0.00 0.95 0.57 3.32 -1.95 -2.62 116.42 117.26 1r8a h ASP 128 Ca 0.09 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1r8a h ASP 128 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1r8a h ASP 128 CO 0.05 0.00 -0.50 0.03 -1.72 0.00 0.00 179.24 177.10 1r8a h ARG 129 N 0.00 0.00 -0.02 3.56 3.08 -1.67 -3.39 114.38 115.94 1r8a h ARG 129 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r8a h ARG 129 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1r8a h ARG 129 CO 0.00 0.50 0.01 1.15 -1.07 0.00 0.00 179.97 180.56 1r8a h THR 130 N 0.00 1.12 -0.87 2.04 2.02 -1.53 0.27 112.91 115.95 1r8a h THR 130 Ca -0.01 -0.36 0.18 0.00 0.77 0.00 0.00 66.41 67.00 1r8a h THR 130 Cb 1.12 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.79 1r8a h THR 130 CO 0.07 0.10 0.57 -0.65 0.37 0.00 0.00 175.52 175.97 1r8a h PRO 131 N -0.12 0.46 0.03 6.66 0.11 -1.75 -1.46 132.00 135.94 1r8a h PRO 131 Ca 0.01 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.86 1r8a h PRO 131 Cb 0.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1r8a h PRO 131 CO -0.00 0.30 -1.00 0.74 -0.21 0.00 0.00 178.00 177.83 1r8a h PHE 132 N 0.47 0.51 -0.37 0.65 -1.00 -1.24 -2.01 116.94 113.96 1r8a h PHE 132 Ca 0.45 -0.30 0.08 0.00 2.81 0.00 0.00 57.97 61.00 1r8a h PHE 132 Cb 1.01 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 40.44 1r8a h PHE 132 CO -0.00 1.15 -0.13 0.45 -1.61 0.00 0.00 178.31 178.16 1r8a h HIS 133 N 0.17 -0.30 0.18 -0.55 3.86 0.24 0.57 115.15 119.31 1r8a h HIS 133 Ca -0.09 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1r8a h HIS 133 Cb 1.66 0.19 0.00 0.00 1.06 0.00 0.00 27.41 30.32 1r8a h HIS 133 CO 0.05 -0.20 -0.09 1.25 0.86 0.00 0.00 177.93 179.81 1r8a h HIS 134 N -0.05 -0.22 -0.51 2.45 -0.00 -1.22 -0.50 115.15 115.09 1r8a h HIS 134 Ca 0.18 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.65 1r8a h HIS 134 Cb 0.33 0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.73 1r8a h HIS 134 CO -0.36 0.06 0.00 -0.22 -0.00 0.00 0.00 177.93 177.40 1r8a h LYS 135 N -0.49 0.11 -0.68 5.26 3.64 -1.26 0.20 116.57 123.34 1r8a h LYS 135 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1r8a h LYS 135 Cb 0.38 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1r8a h LYS 135 CO 0.04 0.08 0.32 2.35 -2.27 0.00 0.00 179.45 179.96 1r8a h TRP 136 N 0.12 0.97 0.00 1.91 7.01 -0.56 -3.17 115.95 122.22 1r8a h TRP 136 Ca 0.26 -0.04 -0.12 0.00 2.11 0.00 0.00 58.89 61.09 1r8a h TRP 136 Cb 0.39 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1r8a h TRP 136 CO -0.32 0.71 -0.97 -0.07 -2.79 0.00 0.00 178.44 175.00 1r8a h LEU 137 N 0.96 0.00 -9.52 0.65 3.38 -0.28 -3.42 115.31 107.09 1r8a h LEU 137 Ca 0.23 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.67 1r8a h LEU 137 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1r8a h LEU 137 CO -0.03 0.49 0.64 -0.70 0.09 0.00 0.00 178.44 178.94 1r8a s GLU 138 N -2.98 4.37 0.00 1.13 2.12 0.61 -2.19 118.70 121.77 1r8a s GLU 138 Ca 0.00 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.26 1r8a s GLU 138 Cb 0.08 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.18 1r8a s GLU 138 CO 0.78 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 1r8a n GLY 139 N 3.35 2.75 0.19 -1.50 0.00 -1.26 -4.74 105.19 103.97 1r8a n GLY 139 Ca 0.10 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1r8a n GLY 139 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r8a h ARG 140 N 0.00 0.00 -0.01 1.61 3.08 -1.78 -3.21 114.38 114.08 1r8a h ARG 140 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r8a h ARG 140 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1r8a h ARG 140 CO 0.00 0.37 -0.67 1.51 -1.07 0.00 0.00 179.97 180.11 1r8a n ILE 141 N -3.49 0.00 -1.68 2.04 0.13 -0.93 -4.90 119.36 110.53 1r8a n ILE 141 Ca 0.00 -0.10 -0.43 0.00 -1.10 0.00 0.00 62.75 61.12 1r8a n ILE 141 Cb 0.52 0.91 -0.01 0.00 -0.84 0.00 0.00 39.64 40.22 1r8a n ILE 141 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1r8a n LYS 142 N -0.89 2.04 0.00 9.51 5.02 -1.22 -1.58 118.16 131.05 1r8a n LYS 142 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1r8a n LYS 142 Cb 0.38 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 1r8a n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r8a n GLY 143 N 1.09 2.70 0.28 0.72 0.00 -1.26 -4.83 105.19 103.89 1r8a n GLY 143 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1r8a n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r8a n LYS 144 N -1.97 1.65 -0.16 1.61 5.02 -0.61 -4.72 118.16 118.98 1r8a n LYS 144 Ca 0.00 -2.67 -0.11 0.00 -2.02 0.00 0.00 58.31 53.51 1r8a n LYS 144 Cb 0.00 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.42 1r8a n LYS 144 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1r8a h GLU 145 N 0.43 0.94 -0.16 1.97 9.09 -1.88 -2.74 114.58 122.24 1r8a h GLU 145 Ca 0.00 -0.38 -0.12 0.00 0.05 0.00 0.00 59.36 58.91 1r8a h GLU 145 Cb 1.10 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 1r8a h GLU 145 CO 0.05 1.04 -0.43 -0.91 0.05 0.00 0.00 179.01 178.81 1r8a h ASN 146 N 0.79 0.39 -0.47 3.06 2.35 -1.87 -2.31 115.58 117.52 1r8a h ASN 146 Ca 0.12 -0.17 0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1r8a h ASN 146 Cb 0.71 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 1r8a h ASN 146 CO 0.05 0.77 0.20 -0.33 -1.65 0.00 0.00 177.43 176.47 1r8a h GLU 147 N 0.30 0.38 -0.49 0.81 4.39 -1.84 -0.51 114.58 117.61 1r8a h GLU 147 Ca 0.02 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1r8a h GLU 147 Cb 0.88 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 1r8a h GLU 147 CO 0.07 0.25 0.32 0.28 -1.16 0.00 0.00 179.01 178.77 1r8a h VAL 148 N 0.39 1.10 -0.58 3.13 2.07 -1.17 -1.22 116.25 119.98 1r8a h VAL 148 Ca 0.22 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1r8a h VAL 148 Cb 0.18 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1r8a h VAL 148 CO -0.19 0.12 0.09 0.03 0.02 0.00 0.00 177.57 177.63 1r8a h ARG 149 N 0.65 0.96 -0.48 1.57 3.08 -1.09 0.89 114.38 119.95 1r8a h ARG 149 Ca 0.19 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1r8a h ARG 149 Cb -0.05 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 1r8a h ARG 149 CO -0.05 0.92 0.21 -0.07 -1.07 0.00 0.00 179.97 179.90 1r8a h LEU 150 N 0.86 0.27 -0.15 3.04 3.38 -0.70 0.37 115.31 122.38 1r8a h LEU 150 Ca 0.17 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1r8a h LEU 150 Cb 0.43 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1r8a h LEU 150 CO 0.01 0.19 0.06 0.25 0.09 0.00 0.00 178.44 179.04 1r8a h LEU 151 N 0.42 0.21 -0.59 1.67 5.85 -0.68 0.35 115.31 122.54 1r8a h LEU 151 Ca 0.22 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1r8a h LEU 151 Cb 0.18 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1r8a h LEU 151 CO -0.19 0.33 0.36 0.11 -0.34 0.00 0.00 178.44 178.71 1r8a h LYS 152 N 0.08 0.69 -0.78 1.25 1.57 -0.45 -1.64 116.57 117.30 1r8a h LYS 152 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1r8a h LYS 152 Cb 0.19 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1r8a h LYS 152 CO -0.00 0.46 0.41 0.78 -0.57 0.00 0.00 179.45 180.53 1r8a h GLY 153 N 0.72 1.17 0.86 3.86 0.00 -0.07 -0.16 103.07 109.45 1r8a h GLY 153 Ca 0.24 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1r8a h GLY 153 CO -0.10 0.51 0.05 -2.75 0.00 0.00 0.00 176.54 174.25 1r8a h PHE 154 N 1.09 0.41 -0.65 5.60 3.57 -0.43 -2.16 116.94 124.37 1r8a h PHE 154 Ca 0.27 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1r8a h PHE 154 Cb 0.05 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1r8a h PHE 154 CO 0.01 0.50 0.15 -0.07 -2.23 0.00 0.00 178.31 176.67 1r8a h LEU 155 N 0.21 0.99 -0.54 0.59 3.38 -0.98 -3.00 115.31 115.96 1r8a h LEU 155 Ca 0.07 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1r8a h LEU 155 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1r8a h LEU 155 CO 0.00 0.97 -0.36 0.50 0.09 0.00 0.00 178.44 179.64 1r8a h LYS 156 N 0.97 0.79 0.00 1.13 3.64 -1.00 0.41 116.57 122.51 1r8a h LYS 156 Ca 0.20 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1r8a h LYS 156 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1r8a h LYS 156 CO 0.00 1.02 0.00 0.00 -2.27 0.00 0.00 179.45 178.21 1r8a h ALA 157 N 0.93 1.00 -0.48 5.00 0.00 -1.31 -2.24 119.26 122.16 1r8a h ALA 157 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1r8a h ALA 157 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1r8a h ALA 157 CO 0.08 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.42 1r8a n ASN 158 N -2.87 3.46 -0.05 0.00 3.02 -1.01 -4.09 115.26 113.72 1r8a n ASN 158 Ca 0.02 -2.12 -0.01 0.00 -0.03 0.00 0.00 54.58 52.44 1r8a n ASN 158 Cb 0.33 -0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1r8a n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r8a n GLY 159 N 0.82 0.44 0.77 7.41 0.00 -0.57 -4.94 105.19 109.12 1r8a n GLY 159 Ca 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 45.28 1r8a n GLY 159 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r8a n ILE 160 N -2.98 1.37 -3.63 -0.61 -5.35 0.13 -4.91 119.36 103.39 1r8a n ILE 160 Ca -0.01 -2.23 -0.37 0.00 -0.27 0.00 0.00 62.75 59.88 1r8a n ILE 160 Cb 0.02 0.17 -0.10 0.00 -1.74 0.00 0.00 39.64 37.99 1r8a n ILE 160 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1r8a s TYR 161 N -2.02 3.31 0.00 4.28 5.04 -1.15 -1.12 117.35 125.68 1r8a s TYR 161 Ca 0.33 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1r8a s TYR 161 Cb 0.33 -2.30 0.00 0.00 0.35 0.00 0.00 41.96 40.34 1r8a s TYR 161 CO -0.08 0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.57 1r8a n GLY 162 N 4.36 3.96 0.52 8.97 0.00 -0.13 -4.81 105.19 118.06 1r8a n GLY 162 Ca -0.14 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 44.75 1r8a n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r8a n ALA 163 N -0.06 2.56 -1.46 4.61 0.00 -1.26 -0.56 120.51 124.35 1r8a n ALA 163 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1r8a n ALA 163 Cb 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.41 1r8a n ALA 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1r8a s GLU 164 N -1.96 2.10 0.42 0.00 1.03 -1.26 -4.50 118.70 114.52 1r8a s GLU 164 Ca 0.37 0.79 0.25 0.00 0.03 0.00 0.00 54.97 56.41 1r8a s GLU 164 Cb 0.20 -1.91 0.59 0.00 -0.80 0.00 0.00 34.13 32.21 1r8a s GLU 164 CO 0.32 -1.65 1.70 -0.92 -1.33 0.00 0.00 175.26 173.38 1r8a h TYR 165 N -1.12 0.00 0.00 4.83 3.20 -1.90 0.28 116.97 122.26 1r8a h TYR 165 Ca -0.47 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 1r8a h TYR 165 Cb 1.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.52 1r8a h TYR 165 CO 0.50 0.00 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.67 1r8a h LYS 166 N 0.00 0.00 0.00 1.82 3.64 -1.92 -3.32 116.57 116.79 1r8a h LYS 166 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1r8a h LYS 166 Cb 0.87 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 1r8a h LYS 166 CO 0.00 0.12 -1.91 0.28 -2.27 0.00 0.00 179.45 175.67 1r8a n VAL 167 N -4.10 0.91 -4.14 2.00 0.31 -0.33 -5.01 118.33 107.97 1r8a n VAL 167 Ca -0.02 -0.32 -0.35 0.00 -0.01 0.00 0.00 64.34 63.63 1r8a n VAL 167 Cb 0.20 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 1r8a n VAL 167 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1r8a n ARG 168 N -3.12 -3.75 0.00 5.55 1.74 0.83 -4.91 116.66 113.01 1r8a n ARG 168 Ca -0.29 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1r8a n ARG 168 Cb 0.79 -5.21 0.00 0.00 -1.02 0.00 0.00 32.46 27.02 1r8a n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r8a n GLY 169 N -1.45 2.63 3.70 -0.13 0.00 0.28 -1.66 105.19 108.56 1r8a n GLY 169 Ca 0.07 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1r8a n GLY 169 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r8a s PHE 170 N 3.24 3.43 0.80 1.61 0.40 -0.27 -3.91 117.98 123.28 1r8a s PHE 170 Ca 0.00 0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 56.85 1r8a s PHE 170 Cb 0.00 -2.44 0.07 0.00 0.51 0.00 0.00 43.02 41.16 1r8a s PHE 170 CO 0.00 0.12 1.10 -1.54 0.70 0.00 0.00 175.22 175.60 1r8a s SER 171 N 0.75 4.45 0.09 1.36 1.04 -1.26 -0.96 113.70 119.16 1r8a s SER 171 Ca 0.19 1.26 -0.22 0.00 0.48 0.00 0.00 55.95 57.66 1r8a s SER 171 Cb -0.14 -1.98 -0.13 0.00 0.10 0.00 0.00 66.02 63.87 1r8a s SER 171 CO 0.06 -1.99 1.68 1.23 0.98 0.00 0.00 173.24 175.21 1r8a h GLY 172 N -1.10 0.11 0.14 7.32 0.00 -1.98 -2.36 103.07 105.19 1r8a h GLY 172 Ca -0.47 -0.05 0.12 0.00 0.00 0.00 0.00 47.33 46.93 1r8a h GLY 172 CO 0.60 0.05 0.11 -1.82 0.00 0.00 0.00 176.54 175.47 1r8a h TYR 173 N 0.03 0.16 -0.46 5.60 3.20 -1.98 -1.01 116.97 122.52 1r8a h TYR 173 Ca 0.03 0.04 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1r8a h TYR 173 Cb 0.07 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1r8a h TYR 173 CO -0.05 -0.06 0.17 1.25 -1.64 0.00 0.00 178.16 177.84 1r8a h LEU 174 N 0.23 0.20 -0.94 2.82 5.85 -1.82 0.27 115.31 121.91 1r8a h LEU 174 Ca 0.32 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.10 1r8a h LEU 174 Cb 0.48 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1r8a h LEU 174 CO -0.43 0.15 0.62 0.00 -0.34 0.00 0.00 178.44 178.44 1r8a h GLU 176 N 1.27 0.58 -0.52 0.00 5.08 -0.92 -1.96 114.58 118.10 1r8a h GLU 176 Ca 0.35 -0.31 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1r8a h GLU 176 Cb -0.13 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 1r8a h GLU 176 CO -0.08 0.90 0.08 -0.07 -1.00 0.00 0.00 179.01 178.83 1r8a h LEU 177 N 0.29 -0.07 -1.18 1.33 3.38 -0.56 -1.52 115.31 116.99 1r8a h LEU 177 Ca 0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1r8a h LEU 177 Cb 0.79 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1r8a h LEU 177 CO 0.06 -0.01 0.38 -0.07 0.09 0.00 0.00 178.44 178.89 1r8a h LEU 178 N 0.20 0.84 -0.44 1.67 3.38 -0.71 0.10 115.31 120.35 1r8a h LEU 178 Ca 0.27 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 1r8a h LEU 178 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1r8a h LEU 178 CO -0.37 0.68 -0.62 0.40 0.09 0.00 0.00 178.44 178.62 1r8a h ILE 179 N 0.96 1.33 -0.53 1.22 1.08 -1.05 -1.64 117.51 118.87 1r8a h ILE 179 Ca 0.24 -1.90 -0.12 0.00 -0.39 0.00 0.00 64.86 62.70 1r8a h ILE 179 Cb 0.02 1.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1r8a h ILE 179 CO -0.04 0.59 -0.14 0.58 -0.69 0.00 0.00 178.15 178.45 1r8a h VAL 180 N 0.41 1.27 -0.37 1.67 2.07 -0.61 0.26 116.25 120.95 1r8a h VAL 180 Ca -0.01 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1r8a h VAL 180 Cb 1.18 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1r8a h VAL 180 CO 0.12 0.46 0.03 0.15 0.02 0.00 0.00 177.57 178.35 1r8a h PHE 181 N 0.90 0.68 0.00 1.57 3.57 -0.71 -3.33 116.94 119.63 1r8a h PHE 181 Ca 0.13 -0.11 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1r8a h PHE 181 Cb 0.71 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1r8a h PHE 181 CO 0.05 0.70 -2.04 0.66 -2.23 0.00 0.00 178.31 175.45 1r8a n TYR 182 N -4.52 0.00 0.00 0.41 4.01 -0.64 -5.01 117.16 111.41 1r8a n TYR 182 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1r8a n TYR 182 Cb 0.25 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1r8a n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r8a n GLY 183 N 1.59 2.41 3.52 2.72 0.00 0.91 -4.75 105.19 111.59 1r8a n GLY 183 Ca -0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.38 1r8a n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r8a s SER 184 N 0.10 -0.05 0.14 1.61 1.04 -1.25 -4.87 113.70 110.42 1r8a s SER 184 Ca 0.00 -1.00 -0.17 0.00 0.48 0.00 0.00 55.95 55.26 1r8a s SER 184 Cb 0.00 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1r8a s SER 184 CO 0.00 -1.09 1.75 0.15 0.98 0.00 0.00 173.24 175.03 1r8a h PHE 185 N 2.32 0.50 -0.29 5.02 3.04 -1.93 -2.18 116.94 123.42 1r8a h PHE 185 Ca -0.28 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.54 1r8a h PHE 185 Cb 1.25 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.59 1r8a h PHE 185 CO 0.39 0.39 -0.34 1.25 -2.02 0.00 0.00 178.31 177.98 1r8a h LEU 186 N 0.47 0.66 -0.71 0.59 5.85 -1.96 -1.18 115.31 119.04 1r8a h LEU 186 Ca 0.13 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1r8a h LEU 186 Cb 0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1r8a h LEU 186 CO -0.02 0.95 -0.56 -0.08 -0.34 0.00 0.00 178.44 178.39 1r8a h GLU 187 N 0.54 0.25 0.50 1.25 4.57 -1.87 -1.43 114.58 118.39 1r8a h GLU 187 Ca 0.06 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1r8a h GLU 187 Cb 0.84 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1r8a h GLU 187 CO 0.07 0.74 -0.24 1.15 -1.18 0.00 0.00 179.01 179.55 1r8a h THR 188 N 0.19 0.49 -0.43 0.32 2.02 -0.83 -1.65 112.91 113.01 1r8a h THR 188 Ca 0.00 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.09 1r8a h THR 188 Cb 1.04 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 1r8a h THR 188 CO 0.09 0.03 0.07 0.58 0.37 0.00 0.00 175.52 176.65 1r8a h VAL 189 N -0.78 0.75 -0.92 3.16 2.07 -1.20 0.03 116.25 119.36 1r8a h VAL 189 Ca -0.07 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1r8a h VAL 189 Cb 0.56 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1r8a h VAL 189 CO 0.11 0.04 0.58 0.11 0.02 0.00 0.00 177.57 178.43 1r8a h LYS 190 N 0.20 1.03 0.04 1.57 1.57 -1.22 -3.01 116.57 116.75 1r8a h LYS 190 Ca 0.21 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.69 1r8a h LYS 190 Cb 0.28 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1r8a h LYS 190 CO -0.30 0.68 -1.18 -0.91 -0.57 0.00 0.00 179.45 177.18 1r8a h ASN 191 N 1.06 0.14 0.65 0.86 2.35 -0.97 -3.17 115.58 116.51 1r8a h ASN 191 Ca 0.40 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1r8a h ASN 191 Cb 0.16 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1r8a h ASN 191 CO -0.17 1.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.74 1r8a n ALA 192 N -2.45 1.63 0.29 -0.83 0.00 -0.03 -1.63 120.51 117.49 1r8a n ALA 192 Ca -0.05 0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.63 1r8a n ALA 192 Cb 0.98 -1.35 0.91 0.00 0.00 0.00 0.00 19.45 19.99 1r8a n ALA 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8a h ARG 193 N 0.00 0.00 -0.29 0.00 3.08 -1.50 -2.46 114.38 113.22 1r8a h ARG 193 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r8a h ARG 193 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1r8a h ARG 193 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 1r8a n ARG 194 N -2.79 2.13 -2.09 0.04 1.74 -0.64 -4.97 116.66 110.08 1r8a n ARG 194 Ca -0.02 -1.90 -0.37 0.00 -0.77 0.00 0.00 57.85 54.79 1r8a n ARG 194 Cb 0.11 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1r8a n ARG 194 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1r8a s TRP 195 N -1.10 2.63 0.40 -1.55 0.51 -0.93 -5.03 118.94 113.87 1r8a s TRP 195 Ca 0.26 1.49 0.05 0.00 -2.12 0.00 0.00 56.10 55.77 1r8a s TRP 195 Cb 0.15 -3.51 -0.06 0.00 -0.81 0.00 0.00 33.47 29.24 1r8a s TRP 195 CO 0.20 -2.00 0.04 0.95 -0.51 0.00 0.00 176.95 175.62 1r8a s THR 196 N -1.50 1.45 -1.57 2.01 -4.23 -1.26 -5.01 115.64 105.54 1r8a s THR 196 Ca 0.68 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1r8a s THR 196 Cb -0.32 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 70.99 1r8a s THR 196 CO 0.38 0.00 1.12 -2.11 -0.54 0.00 0.00 174.62 173.47 1r8a n ARG 197 N -0.93 0.17 -0.14 3.99 1.85 -1.26 -2.12 116.66 118.22 1r8a n ARG 197 Ca -0.07 0.15 0.04 0.00 -1.00 0.00 0.00 57.85 56.98 1r8a n ARG 197 Cb 0.67 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.70 1r8a n ARG 197 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1r8a n ARG 198 N -1.21 2.80 -2.46 2.89 1.74 -1.26 -1.26 116.66 117.89 1r8a n ARG 198 Ca 0.05 -1.91 -0.42 0.00 -0.77 0.00 0.00 57.85 54.80 1r8a n ARG 198 Cb 0.06 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 1r8a n ARG 198 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1r8a s THR 199 N -0.99 4.17 -0.29 0.55 2.01 -0.90 -1.12 115.64 119.08 1r8a s THR 199 Ca 0.18 1.55 -0.05 0.00 0.31 0.00 0.00 61.69 63.68 1r8a s THR 199 Cb 0.10 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.63 1r8a s THR 199 CO 0.13 0.09 0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 1r8a s VAL 200 N 1.36 3.66 -0.50 3.82 1.01 0.17 -1.85 120.40 128.06 1r8a s VAL 200 Ca 0.57 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 1r8a s VAL 200 Cb -0.27 -2.90 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1r8a s VAL 200 CO 0.27 0.09 0.55 -0.63 0.00 0.00 0.00 175.10 175.38 1r8a s ILE 201 N 1.44 5.00 -0.75 2.22 1.01 -0.45 -0.40 121.20 129.27 1r8a s ILE 201 Ca 0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1r8a s ILE 201 Cb -0.17 -4.25 0.20 0.00 0.01 0.00 0.00 42.46 38.24 1r8a s ILE 201 CO 0.01 -0.75 0.66 -0.62 0.00 0.00 0.00 174.94 174.25 1r8a s ASP 202 N 2.71 6.36 0.11 3.58 -1.08 0.12 -1.08 116.67 127.39 1r8a s ASP 202 Ca 0.11 -2.64 -0.21 0.00 -0.52 0.00 0.00 52.55 49.29 1r8a s ASP 202 Cb -0.21 -2.13 -0.08 0.00 -1.46 0.00 0.00 42.92 39.04 1r8a s ASP 202 CO 0.10 -0.55 1.76 0.58 0.52 0.00 0.00 175.17 177.57 1r8a h VAL 203 N 5.01 1.00 0.00 1.11 2.07 -1.79 -1.03 116.25 122.62 1r8a h VAL 203 Ca 0.04 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1r8a h VAL 203 Cb 1.03 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1r8a h VAL 203 CO 0.77 0.03 -0.23 0.00 0.02 0.00 0.00 177.57 178.15 1r8a h ALA 204 N 1.07 1.41 -0.01 1.67 0.00 -1.92 -2.48 119.26 118.99 1r8a h ALA 204 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1r8a h ALA 204 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r8a h ALA 204 CO -0.04 0.29 -0.21 1.63 0.00 0.00 0.00 179.25 180.93 1r8a n LYS 205 N -3.96 1.19 -3.53 0.00 5.02 -0.56 -4.96 118.16 111.36 1r8a n LYS 205 Ca -0.02 -0.77 -0.22 0.00 -2.02 0.00 0.00 58.31 55.28 1r8a n LYS 205 Cb 0.31 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.92 1r8a n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r8a n GLY 206 N 1.31 -0.47 2.95 0.72 0.00 -0.50 -4.98 105.19 104.22 1r8a n GLY 206 Ca 0.14 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1r8a n GLY 206 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r8a s GLU 207 N -6.04 0.15 -0.04 1.61 2.12 -0.83 -5.04 118.70 110.64 1r8a s GLU 207 Ca 0.42 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.69 1r8a s GLU 207 Cb -0.19 0.06 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 1r8a s GLU 207 CO 0.71 -0.03 -0.24 0.08 -0.54 0.00 0.00 175.26 175.24 1r8a s VAL 208 N -0.44 1.98 0.23 3.70 1.01 -1.26 0.16 120.40 125.78 1r8a s VAL 208 Ca -0.05 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1r8a s VAL 208 Cb -0.03 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1r8a s VAL 208 CO -0.00 0.55 0.40 -2.11 0.00 0.00 0.00 175.10 173.95 1r8a n ARG 209 N 2.78 0.58 -4.44 2.72 1.85 0.46 -4.98 116.66 115.62 1r8a n ARG 209 Ca -0.17 -1.48 -0.35 0.00 -1.00 0.00 0.00 57.85 54.86 1r8a n ARG 209 Cb 0.52 1.65 -0.10 0.00 -1.05 0.00 0.00 32.46 33.48 1r8a n ARG 209 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1r8a s LYS 210 N -2.23 2.96 0.00 2.89 -0.14 -1.26 0.43 119.74 122.39 1r8a s LYS 210 Ca 0.13 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.29 1r8a s LYS 210 Cb -0.02 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 1r8a s LYS 210 CO 0.09 0.66 0.00 0.41 -0.76 0.00 0.00 175.35 175.76 1r8a n GLY 211 N 2.25 5.03 0.09 -3.33 0.00 -0.27 -4.85 105.19 104.11 1r8a n GLY 211 Ca -0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1r8a n GLY 211 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r8a n GLU 212 N 0.00 0.68 -4.05 1.61 -0.58 -1.26 -4.75 120.64 112.28 1r8a n GLU 212 Ca 0.00 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 1r8a n GLU 212 Cb 0.00 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.27 1r8a n GLU 212 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1r8a s GLU 213 N -2.60 1.55 0.09 3.49 8.01 -1.26 -4.78 118.70 123.21 1r8a s GLU 213 Ca -0.09 -1.42 -0.31 0.00 0.01 0.00 0.00 54.97 53.15 1r8a s GLU 213 Cb 0.07 0.43 -0.08 0.00 -4.31 0.00 0.00 34.13 30.24 1r8a s GLU 213 CO 0.84 -0.62 1.47 0.12 0.01 0.00 0.00 175.26 177.07 1r8a s PHE 214 N -3.85 2.99 -0.16 1.61 5.36 -0.39 -4.20 117.98 119.34 1r8a s PHE 214 Ca 0.27 0.76 -0.06 0.00 -0.96 0.00 0.00 56.93 56.94 1r8a s PHE 214 Cb 0.01 -3.77 0.08 0.00 -0.34 0.00 0.00 43.02 39.00 1r8a s PHE 214 CO 0.12 -2.84 0.33 0.12 -1.46 0.00 0.00 175.22 171.49 1r8a s PHE 215 N 1.65 -0.59 -0.37 10.12 5.99 -0.77 -4.92 117.98 129.08 1r8a s PHE 215 Ca 0.67 1.18 -0.11 0.00 0.00 0.00 0.00 56.93 58.67 1r8a s PHE 215 Cb -0.37 0.10 0.02 0.00 0.00 0.00 0.00 43.02 42.77 1r8a s PHE 215 CO 0.30 -0.42 0.21 0.08 -0.00 0.00 0.00 175.22 175.39 1r8a s VAL 216 N 2.50 4.66 -0.28 3.12 1.01 -1.26 -1.34 120.40 128.80 1r8a s VAL 216 Ca 0.01 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1r8a s VAL 216 Cb -0.12 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1r8a s VAL 216 CO -0.11 -0.20 1.19 -0.69 0.00 0.00 0.00 175.10 175.29 1r8a s VAL 217 N 1.58 4.34 -0.18 2.92 1.01 -0.24 0.18 120.40 130.00 1r8a s VAL 217 Ca 0.03 1.55 -0.32 0.00 0.00 0.00 0.00 61.98 63.24 1r8a s VAL 217 Cb -0.19 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 1r8a s VAL 217 CO 0.07 -0.41 2.10 -0.67 0.00 0.00 0.00 175.10 176.19 1r8a n ASP 218 N 7.09 3.17 0.22 3.32 -0.08 -0.60 -4.04 116.55 125.63 1r8a n ASP 218 Ca 0.13 0.54 0.18 0.00 -1.51 0.00 0.00 54.79 54.13 1r8a n ASP 218 Cb 0.46 -1.44 0.85 0.00 2.34 0.00 0.00 41.12 43.34 1r8a n ASP 218 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1r8a h PRO 219 N 12.40 0.00 0.17 -0.67 0.13 -1.93 -1.25 132.00 140.86 1r8a h PRO 219 Ca -0.41 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.42 1r8a h PRO 219 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r8a h PRO 219 CO 0.97 0.00 -1.37 0.28 -0.23 0.00 0.00 178.00 177.65 1r8a h VAL 220 N 0.00 1.37 -2.67 1.56 2.07 -1.93 -3.45 116.25 113.21 1r8a h VAL 220 Ca 0.08 -2.90 -0.32 0.00 0.82 0.00 0.00 66.70 64.38 1r8a h VAL 220 Cb 0.59 2.95 -0.36 0.00 -1.52 0.00 0.00 31.29 32.95 1r8a h VAL 220 CO -0.00 0.86 -0.63 -0.62 0.02 0.00 0.00 177.57 177.19 1r8a s ASP 221 N -7.27 1.33 0.20 0.57 -1.08 -0.47 -4.82 116.67 105.13 1r8a s ASP 221 Ca -0.07 -0.14 0.21 0.00 -0.52 0.00 0.00 52.55 52.03 1r8a s ASP 221 Cb 0.06 0.32 0.89 0.00 -1.46 0.00 0.00 42.92 42.73 1r8a s ASP 221 CO 0.90 -0.31 1.63 -1.84 0.52 0.00 0.00 175.17 176.07 1r8a n GLU 222 N 5.32 0.14 0.04 4.34 0.28 -1.23 -1.34 120.64 128.20 1r8a n GLU 222 Ca -0.06 0.40 0.13 0.00 -0.16 0.00 0.00 57.16 57.48 1r8a n GLU 222 Cb 0.50 -1.79 0.45 0.00 1.43 0.00 0.00 31.44 32.03 1r8a n GLU 222 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1r8a n LYS 223 N -2.06 0.12 -3.43 3.44 4.76 -1.26 -4.80 118.16 114.94 1r8a n LYS 223 Ca 0.02 0.08 -0.39 0.00 -2.87 0.00 0.00 58.31 55.16 1r8a n LYS 223 Cb 0.20 -1.63 -0.09 0.00 -1.84 0.00 0.00 35.03 31.67 1r8a n LYS 223 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1r8a s ARG 224 N -3.05 4.03 -0.58 1.97 6.06 -0.45 -5.04 118.95 121.89 1r8a s ARG 224 Ca 0.12 0.00 -0.27 0.00 -2.50 0.00 0.00 55.73 53.08 1r8a s ARG 224 Cb 0.16 -3.64 0.03 0.00 0.06 0.00 0.00 34.95 31.57 1r8a s ARG 224 CO 0.60 -0.22 1.12 1.21 -2.50 0.00 0.00 175.30 175.51 1r8a s ASN 225 N 1.55 6.40 0.51 -2.12 2.47 -1.26 -1.56 114.94 120.93 1r8a s ASN 225 Ca 0.14 -0.06 0.20 0.00 0.42 0.00 0.00 52.86 53.56 1r8a s ASN 225 Cb -0.16 -2.52 1.33 0.00 -1.45 0.00 0.00 41.25 38.45 1r8a s ASN 225 CO 0.09 -1.43 2.11 0.58 -3.72 0.00 0.00 177.10 174.73 1r8a h VAL 226 N 6.11 0.88 -0.61 -5.21 2.07 -0.62 -1.31 116.25 117.56 1r8a h VAL 226 Ca -0.25 -0.30 -0.26 0.00 0.82 0.00 0.00 66.70 66.70 1r8a h VAL 226 Cb 1.06 1.17 -0.16 0.00 -1.52 0.00 0.00 31.29 31.84 1r8a h VAL 226 CO 1.16 0.08 0.33 0.00 0.02 0.00 0.00 177.57 179.17 1r8a n ALA 227 N -2.44 4.32 0.00 1.67 0.00 -1.26 -4.66 120.51 118.15 1r8a n ALA 227 Ca -0.03 -1.81 0.10 0.00 0.00 0.00 0.00 53.44 51.71 1r8a n ALA 227 Cb 0.16 -1.25 0.52 0.00 0.00 0.00 0.00 19.45 18.88 1r8a n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8a h ALA 228 N 1.85 1.98 -0.01 0.00 0.00 -1.59 -1.78 119.26 119.71 1r8a h ALA 228 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1r8a h ALA 228 Cb 2.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1r8a h ALA 228 CO 0.65 -0.06 -0.22 0.09 0.00 0.00 0.00 179.25 179.71 1r8a n ASN 229 N -4.47 1.67 -4.67 0.00 4.13 -1.26 -4.87 115.26 105.78 1r8a n ASN 229 Ca 0.06 -1.34 -0.42 0.00 1.68 0.00 0.00 54.58 54.55 1r8a n ASN 229 Cb 0.27 0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.65 1r8a n ASN 229 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1r8a s LEU 230 N -2.31 4.28 0.61 3.41 2.96 -0.67 -4.21 118.68 122.75 1r8a s LEU 230 Ca 0.26 2.04 -0.13 0.00 -0.22 0.00 0.00 54.13 56.09 1r8a s LEU 230 Cb 0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 1r8a s LEU 230 CO 0.46 -0.82 1.03 -0.94 -1.32 0.00 0.00 176.35 174.77 1r8a s SER 231 N 2.49 6.08 0.24 3.68 1.04 -0.66 -4.90 113.70 121.67 1r8a s SER 231 Ca 0.65 1.54 -0.07 0.00 0.48 0.00 0.00 55.95 58.55 1r8a s SER 231 Cb -0.29 -2.49 0.22 0.00 0.10 0.00 0.00 66.02 63.56 1r8a s SER 231 CO 0.24 -0.97 1.87 0.25 0.98 0.00 0.00 173.24 175.61 1r8a h LEU 232 N -0.06 1.13 -0.62 2.42 5.85 -1.94 -1.45 115.31 120.64 1r8a h LEU 232 Ca -0.45 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.03 1r8a h LEU 232 Cb 1.20 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1r8a h LEU 232 CO 0.60 0.90 -0.55 0.44 -0.34 0.00 0.00 178.44 179.48 1r8a h ASP 233 N 1.28 0.43 0.60 1.25 3.32 -1.96 -1.25 116.42 120.10 1r8a h ASP 233 Ca 0.32 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 1r8a h ASP 233 Cb 0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1r8a h ASP 233 CO -0.05 0.90 -0.63 0.78 -1.72 0.00 0.00 179.24 178.51 1r8a h ASN 234 N 0.30 0.03 -0.24 6.45 2.35 -1.77 -0.32 115.58 122.37 1r8a h ASN 234 Ca 0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1r8a h ASN 234 Cb 1.06 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1r8a h ASN 234 CO 0.09 0.66 0.16 0.25 -1.65 0.00 0.00 177.43 176.94 1r8a h LEU 235 N 0.02 0.28 -0.41 1.61 5.85 -1.12 -0.96 115.31 120.58 1r8a h LEU 235 Ca -0.01 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1r8a h LEU 235 Cb 1.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1r8a h LEU 235 CO 0.08 0.22 0.24 0.00 -0.34 0.00 0.00 178.44 178.64 1r8a h ALA 236 N 1.08 0.52 -0.76 1.25 0.00 -0.88 -1.26 119.26 119.21 1r8a h ALA 236 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1r8a h ALA 236 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1r8a h ALA 236 CO -0.02 -0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.47 1r8a h ARG 237 N 0.48 1.10 -0.31 0.00 3.08 -1.00 -1.84 114.38 115.89 1r8a h ARG 237 Ca 0.16 -0.17 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1r8a h ARG 237 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1r8a h ARG 237 CO -0.08 0.87 -0.07 0.35 -1.07 0.00 0.00 179.97 179.97 1r8a h PHE 238 N 1.09 0.66 -0.85 3.04 3.57 -0.42 0.98 116.94 125.02 1r8a h PHE 238 Ca 0.26 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1r8a h PHE 238 Cb 0.15 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1r8a h PHE 238 CO 0.02 0.77 0.56 0.28 -2.23 0.00 0.00 178.31 177.71 1r8a h VAL 239 N 0.36 1.22 -0.20 1.41 2.07 -1.04 -0.19 116.25 119.88 1r8a h VAL 239 Ca 0.08 -0.40 -0.21 0.00 0.82 0.00 0.00 66.70 66.99 1r8a h VAL 239 Cb 0.56 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1r8a h VAL 239 CO 0.03 0.21 -0.69 -0.74 0.02 0.00 0.00 177.57 176.40 1r8a h HIS 240 N 1.15 1.07 -0.55 1.57 -0.00 -1.04 -2.28 115.15 115.07 1r8a h HIS 240 Ca 0.31 -0.44 -0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1r8a h HIS 240 Cb -0.13 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.07 1r8a h HIS 240 CO -0.01 1.27 0.31 -0.07 -0.00 0.00 0.00 177.93 179.42 1r8a h LEU 241 N 0.58 0.67 -0.54 0.26 3.38 -0.32 -0.91 115.31 118.42 1r8a h LEU 241 Ca -0.03 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1r8a h LEU 241 Cb 1.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1r8a h LEU 241 CO 0.15 0.54 -0.32 0.00 0.09 0.00 0.00 178.44 178.90 1r8a h ARG 243 N 0.70 0.04 -0.79 0.00 3.08 -1.05 -2.37 114.38 114.00 1r8a h ARG 243 Ca 0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1r8a h ARG 243 Cb 0.87 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 1r8a h ARG 243 CO 0.08 0.21 0.50 0.93 -1.07 0.00 0.00 179.97 180.62 1r8a h GLU 244 N -0.14 0.96 -0.01 0.04 5.08 -1.08 -1.44 114.58 117.99 1r8a h GLU 244 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1r8a h GLU 244 Cb 0.19 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r8a h GLU 244 CO -0.00 0.63 0.01 0.35 -1.00 0.00 0.00 179.01 179.00 1r8a h PHE 245 N 0.98 0.02 0.00 4.33 3.57 -1.04 -0.86 116.94 123.95 1r8a h PHE 245 Ca 0.31 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1r8a h PHE 245 Cb 0.01 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1r8a h PHE 245 CO -0.03 0.06 -0.15 0.52 -2.23 0.00 0.00 178.31 176.47 1r8a h MET 246 N -0.03 0.00 0.19 1.11 2.86 -1.21 -0.87 114.93 116.98 1r8a h MET 246 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.38 1r8a h MET 246 Cb 0.04 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.73 1r8a h MET 246 CO -0.00 0.15 -1.16 0.93 1.06 0.00 0.00 176.91 177.90 1r8a h GLU 247 N 0.00 0.46 -1.86 1.72 5.08 -0.82 -3.42 114.58 115.74 1r8a h GLU 247 Ca -0.00 -0.74 -0.42 0.00 -1.00 0.00 0.00 59.36 57.20 1r8a h GLU 247 Cb 0.49 0.27 -0.30 0.00 0.50 0.00 0.00 28.75 29.71 1r8a h GLU 247 CO 0.02 1.35 -0.79 0.00 -1.00 0.00 0.00 179.01 178.59 1r8a s ALA 248 N -2.61 0.03 0.66 3.43 0.00 -0.37 -5.10 121.76 117.80 1r8a s ALA 248 Ca -0.11 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.06 1r8a s ALA 248 Cb 0.03 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 1r8a s ALA 248 CO 0.90 -2.08 1.21 -2.14 0.00 0.00 0.00 175.76 173.65 1r8a s PRO 249 N 0.46 2.60 -0.25 0.00 0.02 -0.35 -4.70 135.00 132.78 1r8a s PRO 249 Ca 0.30 1.81 -0.26 0.00 0.02 0.00 0.00 61.00 62.87 1r8a s PRO 249 Cb 0.01 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.77 1r8a s PRO 249 CO -0.13 -1.49 1.06 0.45 -0.33 0.00 0.00 177.00 176.55 1r8a s SER 250 N -1.79 -0.39 0.47 2.53 0.15 -1.26 -4.38 113.70 109.02 1r8a s SER 250 Ca 0.76 0.68 0.20 0.00 0.70 0.00 0.00 55.95 58.29 1r8a s SER 250 Cb -0.30 0.67 1.19 0.00 -1.71 0.00 0.00 66.02 65.86 1r8a s SER 250 CO 0.39 -0.19 1.94 0.25 1.20 0.00 0.00 173.24 176.84 1r8a h LEU 251 N 3.69 0.24 -2.03 3.45 5.85 -1.96 -2.83 115.31 121.73 1r8a h LEU 251 Ca -0.25 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1r8a h LEU 251 Cb 1.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1r8a h LEU 251 CO 0.16 0.12 0.00 1.23 -0.34 0.00 0.00 178.44 179.62 1r8a h GLY 252 N 0.26 0.00 2.00 3.75 0.00 -1.96 0.13 103.07 107.25 1r8a h GLY 252 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1r8a h GLY 252 CO -0.08 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.20 1r8a h PHE 253 N 0.00 0.00 -0.03 5.60 -1.00 -1.93 -2.84 116.94 116.75 1r8a h PHE 253 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1r8a h PHE 253 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 1r8a h PHE 253 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 1r8a n PHE 254 N -2.56 0.00 -4.40 -0.55 3.01 0.03 -4.64 117.46 108.35 1r8a n PHE 254 Ca 0.02 -0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.13 1r8a n PHE 254 Cb 0.28 -0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.65 1r8a n PHE 254 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1r8a s LYS 255 N -1.62 3.04 0.61 -1.08 1.02 -1.07 -4.76 119.74 115.88 1r8a s LYS 255 Ca 0.23 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1r8a s LYS 255 Cb 0.16 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1r8a s LYS 255 CO 0.24 0.65 1.32 -2.14 -0.92 0.00 0.00 175.35 174.49 1r8a s PRO 256 N -0.73 2.76 -0.07 -1.68 0.02 -1.26 -4.81 135.00 129.23 1r8a s PRO 256 Ca 0.11 2.12 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 1r8a s PRO 256 Cb -0.12 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1r8a s PRO 256 CO 0.02 -1.46 1.29 0.15 -0.33 0.00 0.00 177.00 176.67 1r8a s LYS 257 N -3.22 4.30 -0.37 5.54 1.02 -1.26 -4.94 119.74 120.81 1r8a s LYS 257 Ca 0.79 1.77 -0.39 0.00 0.02 0.00 0.00 55.97 58.16 1r8a s LYS 257 Cb -0.38 -3.63 -0.14 0.00 -0.52 0.00 0.00 37.83 33.15 1r8a s LYS 257 CO 0.42 -0.56 2.04 1.58 -0.92 0.00 0.00 175.35 177.92 1r8a n HIS 258 N 5.66 1.64 -0.95 3.18 -0.00 -1.26 -4.86 115.22 118.63 1r8a n HIS 258 Ca 0.12 0.48 -0.30 0.00 -0.00 0.00 0.00 57.72 58.02 1r8a n HIS 258 Cb 0.45 -2.45 0.24 0.00 -0.00 0.00 0.00 29.99 28.23 1r8a n HIS 258 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1r8a s PRO 259 N 5.36 -1.29 -0.09 1.57 0.04 -1.26 -4.98 135.00 134.35 1r8a s PRO 259 Ca 1.09 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 1r8a s PRO 259 Cb -1.07 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 31.76 1r8a s PRO 259 CO 0.58 -3.78 0.57 1.25 0.04 0.00 0.00 177.00 175.65 1r8a h LEU 260 N -2.64 -0.09 -3.53 -3.56 5.85 -1.98 -3.48 115.31 105.88 1r8a h LEU 260 Ca -0.47 -0.40 -0.43 0.00 0.84 0.00 0.00 57.88 57.42 1r8a h LEU 260 Cb 1.31 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.36 1r8a h LEU 260 CO 0.37 0.56 -0.94 -1.84 -0.34 0.00 0.00 178.44 176.25 1r8a n GLU 261 N -4.81 -1.23 -3.11 1.25 0.28 -1.26 -4.96 120.64 106.80 1r8a n GLU 261 Ca -0.06 0.57 -0.28 0.00 -0.16 0.00 0.00 57.16 57.24 1r8a n GLU 261 Cb 0.24 -1.86 -0.02 0.00 1.43 0.00 0.00 31.44 31.22 1r8a n GLU 261 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1r8a s ILE 262 N -2.91 4.98 0.24 3.84 1.01 -1.26 -5.09 121.20 122.01 1r8a s ILE 262 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1r8a s ILE 262 Cb -0.02 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1r8a s ILE 262 CO 0.76 -0.53 0.40 -1.61 0.00 0.00 0.00 174.94 173.97 1r8a s GLU 263 N -4.04 3.48 0.53 2.79 8.01 -1.26 -4.97 118.70 123.24 1r8a s GLU 263 Ca 0.45 -0.48 0.36 0.00 0.01 0.00 0.00 54.97 55.30 1r8a s GLU 263 Cb -0.10 -2.83 1.53 0.00 -4.31 0.00 0.00 34.13 28.41 1r8a s GLU 263 CO 0.35 0.37 1.79 -1.35 0.01 0.00 0.00 175.26 176.43 1r8a h PRO 264 N 1.54 0.03 -0.31 0.39 0.11 -1.98 -1.98 132.00 129.80 1r8a h PRO 264 Ca -0.49 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1r8a h PRO 264 Cb 1.21 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1r8a h PRO 264 CO 0.65 0.02 -0.31 1.49 -0.21 0.00 0.00 178.00 179.64 1r8a h GLU 265 N 0.03 0.75 -0.72 1.05 4.57 -1.99 -0.75 114.58 117.52 1r8a h GLU 265 Ca 0.58 -0.40 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1r8a h GLU 265 Cb 2.26 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 30.84 1r8a h GLU 265 CO -0.03 1.02 0.19 -0.09 -1.18 0.00 0.00 179.01 178.92 1r8a h ARG 266 N 0.51 1.14 -0.62 1.92 2.43 -1.76 -1.99 114.38 116.02 1r8a h ARG 266 Ca 0.05 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1r8a h ARG 266 Cb 0.89 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1r8a h ARG 266 CO 0.08 0.99 0.12 1.25 -1.51 0.00 0.00 179.97 180.90 1r8a h LEU 267 N 1.09 0.94 -0.28 3.80 5.85 -1.42 -0.33 115.31 124.96 1r8a h LEU 267 Ca 0.23 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1r8a h LEU 267 Cb 0.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1r8a h LEU 267 CO -0.00 0.93 0.16 -0.09 -0.34 0.00 0.00 178.44 179.09 1r8a h ARG 268 N 0.94 0.38 -0.29 1.25 1.12 -0.91 -0.16 114.38 116.71 1r8a h ARG 268 Ca 0.19 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 59.04 1r8a h ARG 268 Cb 0.38 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.24 1r8a h ARG 268 CO 0.01 0.32 0.14 0.87 -3.11 0.00 0.00 179.97 178.20 1r8a h LYS 269 N 0.34 0.28 -0.25 0.20 1.57 -1.03 -1.41 116.57 116.26 1r8a h LYS 269 Ca 0.10 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1r8a h LYS 269 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1r8a h LYS 269 CO -0.02 0.19 0.10 0.82 -0.57 0.00 0.00 179.45 179.97 1r8a h ILE 270 N 0.29 1.17 -0.70 1.86 2.04 -0.83 -0.66 117.51 120.68 1r8a h ILE 270 Ca 0.12 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1r8a h ILE 270 Cb 0.05 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1r8a h ILE 270 CO -0.09 0.18 0.41 0.58 0.00 0.00 0.00 178.15 179.22 1r8a h VAL 271 N 0.26 1.20 -0.32 1.67 2.07 -0.91 -1.02 116.25 119.20 1r8a h VAL 271 Ca 0.08 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1r8a h VAL 271 Cb 0.19 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1r8a h VAL 271 CO -0.01 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.68 1r8a h GLU 272 N 0.97 0.58 -0.59 1.57 4.81 -0.86 0.01 114.58 121.07 1r8a h GLU 272 Ca 0.25 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1r8a h GLU 272 Cb -0.02 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1r8a h GLU 272 CO -0.05 0.74 0.13 1.49 -0.73 0.00 0.00 179.01 180.59 1r8a h GLU 273 N 0.37 0.96 -0.22 1.92 4.81 -0.76 -2.86 114.58 118.80 1r8a h GLU 273 Ca 0.09 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.94 1r8a h GLU 273 Cb 0.50 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1r8a h GLU 273 CO 0.02 0.89 -0.42 0.00 -0.73 0.00 0.00 179.01 178.78 1r8a h ARG 274 N 0.87 0.52 -0.62 1.92 3.08 -0.95 -3.47 114.38 115.73 1r8a h ARG 274 Ca 0.18 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1r8a h ARG 274 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1r8a h ARG 274 CO 0.01 0.85 -0.12 0.41 -1.07 0.00 0.00 179.97 180.04 1r8a n GLY 275 N -0.01 0.26 3.99 0.04 0.00 -0.03 -5.05 105.19 104.39 1r8a n GLY 275 Ca -0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1r8a n GLY 275 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r8a s THR 276 N -2.23 3.43 -0.23 2.61 -4.23 -1.25 -4.83 115.64 108.92 1r8a s THR 276 Ca 0.00 -0.85 -0.22 0.00 -1.18 0.00 0.00 61.69 59.44 1r8a s THR 276 Cb 0.00 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 1r8a s THR 276 CO 0.00 -0.10 0.68 0.00 -0.54 0.00 0.00 174.62 174.66 1r8a s ALA 277 N -2.41 3.59 -0.20 3.99 0.00 -0.71 -4.94 121.76 121.07 1r8a s ALA 277 Ca 0.51 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.17 1r8a s ALA 277 Cb -0.10 -3.07 0.01 0.00 0.00 0.00 0.00 23.12 19.96 1r8a s ALA 277 CO 0.34 -0.73 -0.13 0.08 0.00 0.00 0.00 175.76 175.32 1r8a s VAL 278 N 2.33 2.62 0.22 0.00 1.01 -1.26 -1.47 120.40 123.85 1r8a s VAL 278 Ca 0.29 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1r8a s VAL 278 Cb -0.16 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1r8a s VAL 278 CO 0.09 0.47 0.39 0.72 0.00 0.00 0.00 175.10 176.77 1r8a s PHE 279 N 1.36 0.44 0.04 5.22 -0.12 -0.65 -4.31 117.98 119.97 1r8a s PHE 279 Ca 0.05 -0.79 0.04 0.00 -0.05 0.00 0.00 56.93 56.18 1r8a s PHE 279 Cb -0.14 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1r8a s PHE 279 CO -0.09 -0.87 -0.11 0.00 -0.05 0.00 0.00 175.22 174.10 1r8a s ALA 280 N -4.01 0.93 -0.28 1.99 0.00 0.11 -1.01 121.76 119.48 1r8a s ALA 280 Ca 0.22 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 1r8a s ALA 280 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1r8a s ALA 280 CO 0.06 0.15 0.56 0.08 0.00 0.00 0.00 175.76 176.61 1r8a s VAL 281 N -0.90 5.02 -0.10 0.00 1.01 0.72 -0.13 120.40 126.02 1r8a s VAL 281 Ca -0.01 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 1r8a s VAL 281 Cb -0.08 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1r8a s VAL 281 CO 0.01 -0.02 0.06 -0.75 0.00 0.00 0.00 175.10 174.40 1r8a s LYS 282 N 2.42 3.18 0.20 2.72 2.20 0.19 -0.46 119.74 130.19 1r8a s LYS 282 Ca 0.23 -0.29 -0.24 0.00 -0.36 0.00 0.00 55.97 55.31 1r8a s LYS 282 Cb -0.15 -2.96 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1r8a s LYS 282 CO 0.10 0.73 0.87 -0.59 -0.36 0.00 0.00 175.35 176.10 1r8a s PHE 283 N -0.95 -0.16 0.13 4.03 -0.12 -0.92 -1.49 117.98 118.49 1r8a s PHE 283 Ca 0.14 -0.20 -0.30 0.00 -0.05 0.00 0.00 56.93 56.52 1r8a s PHE 283 Cb -0.12 0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 42.87 1r8a s PHE 283 CO 0.03 -0.98 0.99 1.03 -0.05 0.00 0.00 175.22 176.25 1r8a s ARG 284 N -3.52 4.68 -0.00 1.99 0.52 -1.26 -1.02 118.95 120.33 1r8a s ARG 284 Ca 0.12 1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 56.54 1r8a s ARG 284 Cb -0.03 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 32.03 1r8a s ARG 284 CO 0.04 0.19 1.49 0.21 0.02 0.00 0.00 175.30 177.25 1r8a s LYS 285 N -0.12 4.25 0.67 3.54 2.20 -0.38 -4.72 119.74 125.17 1r8a s LYS 285 Ca 0.47 2.06 -0.15 0.00 -0.36 0.00 0.00 55.97 58.00 1r8a s LYS 285 Cb -0.25 -3.65 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1r8a s LYS 285 CO 0.31 -0.66 1.13 -1.25 -0.36 0.00 0.00 175.35 174.52 1r8a s PRO 286 N 2.74 2.68 -1.18 4.03 0.04 -1.26 -4.91 135.00 137.13 1r8a s PRO 286 Ca 0.67 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.08 1r8a s PRO 286 Cb -0.33 -1.93 0.22 0.00 0.04 0.00 0.00 34.50 32.50 1r8a s PRO 286 CO 0.28 -1.36 1.40 -3.47 0.04 0.00 0.00 177.00 173.88 1r8a n ASP 287 N -2.44 5.41 -4.22 6.66 -0.08 -1.26 -4.90 116.55 115.71 1r8a n ASP 287 Ca 0.11 -3.05 -0.13 0.00 -1.51 0.00 0.00 54.79 50.21 1r8a n ASP 287 Cb 0.52 -1.47 -0.10 0.00 2.34 0.00 0.00 41.12 42.40 1r8a n ASP 287 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1r8a s ILE 288 N 0.14 0.61 0.80 5.18 -4.36 -1.26 -5.16 121.20 117.16 1r8a s ILE 288 Ca 0.38 -1.96 -0.11 0.00 -0.26 0.00 0.00 60.65 58.69 1r8a s ILE 288 Cb -0.03 -2.04 0.07 0.00 1.25 0.00 0.00 42.46 41.71 1r8a s ILE 288 CO -0.01 -0.54 1.09 0.68 0.24 0.00 0.00 174.94 176.39 1r8a s VAL 289 N -3.70 3.20 0.22 8.37 -7.23 -1.26 -4.75 120.40 115.26 1r8a s VAL 289 Ca 0.22 0.39 -0.07 0.00 -1.81 0.00 0.00 61.98 60.71 1r8a s VAL 289 Cb 0.06 -2.95 0.18 0.00 0.56 0.00 0.00 36.38 34.23 1r8a s VAL 289 CO 0.02 -0.51 1.74 0.44 -0.31 0.00 0.00 175.10 176.48 1r8a h ASP 290 N -1.18 0.23 0.64 4.85 5.19 -1.99 -0.67 116.42 123.49 1r8a h ASP 290 Ca -0.46 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1r8a h ASP 290 Cb 1.25 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1r8a h ASP 290 CO 0.54 0.12 0.00 0.44 -3.12 0.00 0.00 179.24 177.22 1r8a h ASP 291 N 0.42 0.00 0.05 6.45 3.32 -1.98 -1.16 116.42 123.52 1r8a h ASP 291 Ca 0.35 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.04 1r8a h ASP 291 Cb 0.48 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1r8a h ASP 291 CO -0.35 0.00 -2.02 -3.20 -1.72 0.00 0.00 179.24 171.94 1r8a n ASN 292 N -2.65 2.01 0.27 6.45 5.15 -0.93 -4.44 115.26 121.11 1r8a n ASN 292 Ca 0.00 0.19 -0.16 0.00 -0.60 0.00 0.00 54.58 54.02 1r8a n ASN 292 Cb 0.21 -0.78 -0.08 0.00 -0.53 0.00 0.00 39.78 38.60 1r8a n ASN 292 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1r8a h LEU 293 N -0.33 -0.54 -0.84 1.20 5.85 -0.82 -3.14 115.31 116.68 1r8a h LEU 293 Ca -0.48 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.23 1r8a h LEU 293 Cb 1.78 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.91 1r8a h LEU 293 CO -0.09 -0.33 0.55 1.88 -0.34 0.00 0.00 178.44 180.12 1r8a h TYR 294 N -0.72 1.04 -0.63 1.25 -1.99 -1.48 0.67 116.97 115.11 1r8a h TYR 294 Ca -0.07 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.72 1r8a h TYR 294 Cb 0.53 -0.35 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 1r8a h TYR 294 CO -0.02 0.63 0.42 -1.35 -0.00 0.00 0.00 178.16 177.84 1r8a h PRO 295 N 1.11 0.76 -0.31 4.88 0.11 -1.78 -0.93 132.00 135.83 1r8a h PRO 295 Ca 0.32 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 1r8a h PRO 295 Cb -0.07 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 1r8a h PRO 295 CO -0.09 0.50 -0.01 1.96 -0.21 0.00 0.00 178.00 180.16 1r8a h GLN 296 N 0.78 0.55 -0.35 1.05 4.20 -0.98 -1.40 115.11 118.96 1r8a h GLN 296 Ca 0.25 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1r8a h GLN 296 Cb 0.03 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1r8a h GLN 296 CO -0.06 0.69 0.13 -0.07 -0.67 0.00 0.00 178.83 178.85 1r8a h LEU 297 N 0.35 0.44 -0.32 1.46 3.38 -0.71 0.26 115.31 120.17 1r8a h LEU 297 Ca 0.09 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1r8a h LEU 297 Cb 0.45 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r8a h LEU 297 CO 0.02 0.41 -0.33 -0.08 0.09 0.00 0.00 178.44 178.55 1r8a h GLU 298 N 0.49 0.79 -0.24 1.13 4.81 -1.03 -1.66 114.58 118.88 1r8a h GLU 298 Ca 0.12 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 1r8a h GLU 298 Cb 0.11 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1r8a h GLU 298 CO -0.01 1.05 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.98 1r8a h ARG 299 N 0.56 0.59 -0.22 1.92 2.43 -0.51 -0.14 114.38 119.02 1r8a h ARG 299 Ca 0.05 -0.31 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1r8a h ARG 299 Cb 0.91 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1r8a h ARG 299 CO 0.08 0.91 0.09 0.00 -1.51 0.00 0.00 179.97 179.54 1r8a h ALA 300 N 0.67 0.25 -0.50 2.80 0.00 -0.45 0.65 119.26 122.68 1r8a h ALA 300 Ca 0.04 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1r8a h ALA 300 Cb 0.80 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1r8a h ALA 300 CO 0.06 -0.32 -0.16 0.66 0.00 0.00 0.00 179.25 179.49 1r8a h SER 301 N 0.20 0.99 -0.48 0.00 4.64 -1.28 -1.29 113.55 116.34 1r8a h SER 301 Ca 0.09 -0.35 0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1r8a h SER 301 Cb 0.04 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 1r8a h SER 301 CO -0.08 1.13 0.30 -0.09 -0.87 0.00 0.00 176.83 177.23 1r8a h ARG 302 N 0.86 0.59 -0.44 4.77 2.43 -0.49 -1.16 114.38 120.94 1r8a h ARG 302 Ca 0.12 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1r8a h ARG 302 Cb 0.72 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1r8a h ARG 302 CO 0.06 0.39 0.25 0.87 -1.51 0.00 0.00 179.97 180.03 1r8a h LYS 303 N 0.61 0.49 -0.48 0.20 1.79 -0.59 -0.75 116.57 117.83 1r8a h LYS 303 Ca 0.18 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 1r8a h LYS 303 Cb -0.03 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 1r8a h LYS 303 CO -0.06 0.32 -0.21 0.82 -1.08 0.00 0.00 179.45 179.24 1r8a h ILE 304 N 0.51 1.27 -0.61 1.86 2.04 -1.16 -1.15 117.51 120.26 1r8a h ILE 304 Ca 0.18 -1.38 0.08 0.00 1.00 0.00 0.00 64.86 64.74 1r8a h ILE 304 Cb 0.04 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1r8a h ILE 304 CO -0.10 0.48 0.27 0.15 0.00 0.00 0.00 178.15 178.95 1r8a h PHE 305 N 0.86 0.47 -0.22 1.37 3.57 -0.94 -1.04 116.94 121.00 1r8a h PHE 305 Ca 0.11 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.46 1r8a h PHE 305 Cb 0.79 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1r8a h PHE 305 CO 0.05 0.16 -0.58 0.93 -2.23 0.00 0.00 178.31 176.64 1r8a h GLU 306 N 0.48 0.71 -0.48 1.11 5.08 -0.97 -1.09 114.58 119.43 1r8a h GLU 306 Ca 0.30 -0.47 0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1r8a h GLU 306 Cb 0.32 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1r8a h GLU 306 CO -0.26 1.09 0.12 0.35 -1.00 0.00 0.00 179.01 179.31 1r8a h PHE 307 N 0.54 0.20 -0.37 4.33 3.57 -0.65 -0.62 116.94 123.93 1r8a h PHE 307 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1r8a h PHE 307 Cb 1.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r8a h PHE 307 CO 0.06 0.03 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.89 1r8a h LEU 308 N 0.26 0.73 -0.24 0.59 3.38 -0.90 -0.33 115.31 118.80 1r8a h LEU 308 Ca 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r8a h LEU 308 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1r8a h LEU 308 CO -0.29 0.93 0.12 -0.08 0.09 0.00 0.00 178.44 179.22 1r8a h GLU 309 N 0.64 0.35 0.00 1.13 4.57 -1.06 -1.51 114.58 118.70 1r8a h GLU 309 Ca 0.09 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 1r8a h GLU 309 Cb 0.70 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1r8a h GLU 309 CO 0.05 0.33 -0.25 -0.09 -1.18 0.00 0.00 179.01 177.88 1r8a h ARG 310 N 0.27 0.00 -0.59 1.92 2.43 -0.69 -1.77 114.38 115.95 1r8a h ARG 310 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1r8a h ARG 310 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1r8a h ARG 310 CO -0.01 0.25 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 1r8a n GLU 311 N -3.88 2.61 -1.76 0.20 -0.58 -0.17 -4.96 120.64 112.09 1r8a n GLU 311 Ca -0.02 -2.47 -0.07 0.00 -0.42 0.00 0.00 57.16 54.18 1r8a n GLU 311 Cb 0.33 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1r8a n GLU 311 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1r8a n ASN 312 N 1.56 -3.23 -0.24 1.62 5.03 -0.66 -4.89 115.26 114.45 1r8a n ASN 312 Ca 0.22 0.07 0.14 0.00 0.87 0.00 0.00 54.58 55.88 1r8a n ASN 312 Cb 0.61 -2.07 0.54 0.00 -1.02 0.00 0.00 39.78 37.84 1r8a n ASN 312 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1r8a n PHE 313 N -3.50 0.00 -3.59 3.10 3.72 -0.61 -4.88 117.46 111.70 1r8a n PHE 313 Ca -0.08 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.11 1r8a n PHE 313 Cb 0.43 -0.11 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 1r8a n PHE 313 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1r8a n MET 314 N -0.59 -1.32 -1.77 -1.08 2.81 -1.24 -2.00 117.12 111.93 1r8a n MET 314 Ca 0.16 0.84 -0.41 0.00 -1.81 0.00 0.00 57.70 56.47 1r8a n MET 314 Cb 0.31 -3.63 -0.01 0.00 -0.71 0.00 0.00 33.22 29.18 1r8a n MET 314 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1r8a n PRO 315 N -2.91 2.69 -0.10 0.03 -0.04 -1.26 -0.81 135.00 132.61 1r8a n PRO 315 Ca -0.17 0.95 -0.17 0.00 -0.04 0.00 0.00 63.50 64.06 1r8a n PRO 315 Cb 0.61 -2.70 -0.08 0.00 -0.04 0.00 0.00 33.50 31.29 1r8a n PRO 315 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r8a n LEU 316 N 1.01 1.85 -3.83 1.53 4.77 0.97 -4.87 117.00 118.44 1r8a n LEU 316 Ca 0.04 0.47 -0.08 0.00 -0.03 0.00 0.00 56.01 56.40 1r8a n LEU 316 Cb 0.38 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1r8a n LEU 316 CO 0.64 0.08 0.35 -0.13 -1.33 0.00 0.00 177.39 177.00 1r8a s ARG 317 N -2.35 1.59 0.10 3.23 0.52 -1.24 -5.05 118.95 115.75 1r8a s ARG 317 Ca -0.26 -0.98 -0.04 0.00 -0.52 0.00 0.00 55.73 53.94 1r8a s ARG 317 Cb 0.05 0.56 -0.03 0.00 0.52 0.00 0.00 34.95 36.05 1r8a s ARG 317 CO 0.48 -0.70 0.09 -1.54 0.02 0.00 0.00 175.30 173.65 1r8a s SER 318 N -2.92 0.28 0.31 0.23 1.04 -1.26 -2.87 113.70 108.51 1r8a s SER 318 Ca 0.12 -0.97 -0.12 0.00 0.48 0.00 0.00 55.95 55.47 1r8a s SER 318 Cb -0.03 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1r8a s SER 318 CO 0.03 -0.72 0.58 0.00 0.98 0.00 0.00 173.24 174.11 1r8a s ALA 319 N -3.95 -0.21 0.09 5.32 0.00 -0.44 -4.99 121.76 117.57 1r8a s ALA 319 Ca 0.13 -0.95 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 1r8a s ALA 319 Cb 0.06 0.98 0.03 0.00 0.00 0.00 0.00 23.12 24.19 1r8a s ALA 319 CO -0.05 -0.89 0.38 -0.59 0.00 0.00 0.00 175.76 174.61 1r8a s PHE 320 N -3.38 -0.20 -0.15 0.00 -0.12 -1.26 -0.39 117.98 112.48 1r8a s PHE 320 Ca 0.22 -0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 56.98 1r8a s PHE 320 Cb -0.02 0.21 0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1r8a s PHE 320 CO 0.12 -0.63 0.37 0.21 -0.05 0.00 0.00 175.22 175.25 1r8a s LYS 321 N -3.21 0.39 -0.15 1.99 2.47 -0.72 -5.00 119.74 115.51 1r8a s LYS 321 Ca -0.01 0.63 -0.02 0.00 -1.56 0.00 0.00 55.97 55.01 1r8a s LYS 321 Cb 0.01 0.07 -0.02 0.00 -1.46 0.00 0.00 37.83 36.43 1r8a s LYS 321 CO -0.08 -0.11 -0.07 0.00 0.16 0.00 0.00 175.35 175.25 1r8a s ALA 322 N 0.82 2.85 0.00 3.13 0.00 -1.26 -0.67 121.76 126.63 1r8a s ALA 322 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1r8a s ALA 322 Cb -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1r8a s ALA 322 CO -0.06 0.16 0.00 -1.13 0.00 0.00 0.00 175.76 174.73 1r8a n SER 323 N 3.65 0.23 -0.07 0.00 3.41 0.55 -5.00 113.62 116.39 1r8a n SER 323 Ca -0.18 -0.68 -0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1r8a n SER 323 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1r8a n SER 323 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1r8a h GLU 324 N 0.00 0.45 0.00 4.33 4.39 -2.03 -3.39 114.58 118.33 1r8a h GLU 324 Ca 0.00 -0.21 -0.30 0.00 0.34 0.00 0.00 59.36 59.19 1r8a h GLU 324 Cb 0.00 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 1r8a h GLU 324 CO 0.00 0.76 -2.14 -1.91 -1.16 0.00 0.00 179.01 174.56 1r8a n GLU 325 N -4.52 0.75 -4.42 2.33 2.13 -1.26 -4.89 120.64 110.77 1r8a n GLU 325 Ca -0.05 0.08 -0.25 0.00 0.66 0.00 0.00 57.16 57.61 1r8a n GLU 325 Cb 0.35 -1.41 -0.11 0.00 0.27 0.00 0.00 31.44 30.55 1r8a n GLU 325 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1r8a s PHE 326 N -2.40 2.21 0.20 4.31 0.40 -1.26 -1.24 117.98 120.19 1r8a s PHE 326 Ca -0.22 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 55.82 1r8a s PHE 326 Cb 0.06 -1.04 -0.04 0.00 0.51 0.00 0.00 43.02 42.51 1r8a s PHE 326 CO 0.52 0.55 0.00 0.00 0.70 0.00 0.00 175.22 176.99 1r8a s TYR 328 N -1.88 0.54 -0.21 0.00 1.51 0.16 -2.17 117.35 115.30 1r8a s TYR 328 Ca 0.28 -0.11 -0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1r8a s TYR 328 Cb -0.09 -0.48 -0.01 0.00 -0.11 0.00 0.00 41.96 41.27 1r8a s TYR 328 CO 0.19 -0.12 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.96 1r8a s LEU 329 N 0.62 2.95 -0.04 -1.29 1.43 0.39 -1.75 118.68 120.99 1r8a s LEU 329 Ca -0.07 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1r8a s LEU 329 Cb -0.11 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1r8a s LEU 329 CO -0.00 0.00 -0.13 -0.76 0.23 0.00 0.00 176.35 175.69 1r8a s LEU 330 N 1.35 2.81 0.02 1.79 1.43 0.48 -0.20 118.68 126.36 1r8a s LEU 330 Ca 0.04 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1r8a s LEU 330 Cb -0.14 -1.59 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1r8a s LEU 330 CO -0.02 0.34 -0.00 -0.36 0.23 0.00 0.00 176.35 176.54 1r8a s PHE 331 N -0.77 0.25 -0.04 0.29 0.08 -0.18 -1.33 117.98 116.29 1r8a s PHE 331 Ca 0.12 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1r8a s PHE 331 Cb -0.11 -0.18 0.02 0.00 -0.57 0.00 0.00 43.02 42.18 1r8a s PHE 331 CO 0.01 -0.22 -0.03 -2.00 -0.10 0.00 0.00 175.22 172.89 1r8a s GLU 332 N -1.65 0.62 0.05 0.44 2.12 -1.14 -1.63 118.70 117.51 1r8a s GLU 332 Ca -0.14 -0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.23 1r8a s GLU 332 Cb -0.08 -0.72 -0.03 0.00 0.26 0.00 0.00 34.13 33.57 1r8a s GLU 332 CO -0.01 -0.11 -0.19 0.00 -0.54 0.00 0.00 175.26 174.41 1r8a h GLN 334 N 4.72 0.00 -4.94 0.00 4.20 -0.82 -1.90 115.11 116.37 1r8a h GLN 334 Ca -0.42 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.64 1r8a h GLN 334 Cb 1.17 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.71 1r8a h GLN 334 CO 0.43 0.16 -0.64 0.42 -0.67 0.00 0.00 178.83 178.53 1r8a s ILE 335 N -3.37 4.09 -0.01 2.54 -1.09 -0.85 -4.81 121.20 117.70 1r8a s ILE 335 Ca 0.03 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.19 1r8a s ILE 335 Cb 0.08 -2.93 -0.25 0.00 -1.58 0.00 0.00 42.46 37.78 1r8a s ILE 335 CO 0.65 0.32 0.78 0.11 -1.23 0.00 0.00 174.94 175.57 1r8a h LYS 336 N 8.21 0.13 -2.72 2.79 1.57 -1.88 -3.41 116.57 121.26 1r8a h LYS 336 Ca -0.38 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.06 1r8a h LYS 336 Cb 1.17 0.08 -0.26 0.00 0.08 0.00 0.00 32.23 33.30 1r8a h LYS 336 CO 0.59 0.88 -0.30 -2.00 -0.57 0.00 0.00 179.45 178.05 1r8a s GLU 337 N -2.62 0.40 0.23 3.15 2.12 -1.26 -4.19 118.70 116.53 1r8a s GLU 337 Ca -0.08 0.69 0.08 0.00 0.36 0.00 0.00 54.97 56.02 1r8a s GLU 337 Cb 0.08 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1r8a s GLU 337 CO 0.83 -0.12 0.05 -1.50 -0.54 0.00 0.00 175.26 173.97 1r8a s ILE 338 N 0.98 3.82 0.73 -3.70 2.07 0.49 -5.01 121.20 120.57 1r8a s ILE 338 Ca -0.06 -1.59 -0.16 0.00 -1.41 0.00 0.00 60.65 57.43 1r8a s ILE 338 Cb -0.07 -3.00 0.01 0.00 0.13 0.00 0.00 42.46 39.53 1r8a s ILE 338 CO -0.08 -0.27 0.98 -1.54 -1.91 0.00 0.00 174.94 172.12 1r8a n SER 339 N -0.67 0.49 -0.10 4.50 3.41 -1.26 -4.73 113.62 115.26 1r8a n SER 339 Ca -0.08 0.66 -0.13 0.00 -0.26 0.00 0.00 58.87 59.06 1r8a n SER 339 Cb 0.57 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.10 1r8a n SER 339 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1r8a h ARG 340 N -0.29 0.89 -6.70 4.33 9.65 -1.93 -3.45 114.38 116.88 1r8a h ARG 340 Ca -0.47 -0.49 -0.50 0.00 -1.10 0.00 0.00 59.98 57.42 1r8a h ARG 340 Cb 1.33 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.91 1r8a h ARG 340 CO 0.47 1.14 0.18 0.54 2.80 0.00 0.00 179.97 185.09 1r8a s VAL 341 N -4.31 4.48 0.14 0.20 0.11 -1.26 -0.75 120.40 119.02 1r8a s VAL 341 Ca -0.11 1.39 -0.07 0.00 -2.93 0.00 0.00 61.98 60.26 1r8a s VAL 341 Cb 0.11 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 1r8a s VAL 341 CO 0.88 0.11 0.22 0.72 -3.33 0.00 0.00 175.10 173.69 1r8a s PHE 342 N -1.65 0.46 -0.18 1.54 -0.12 0.12 -4.91 117.98 113.24 1r8a s PHE 342 Ca 0.47 -0.84 -0.19 0.00 -0.05 0.00 0.00 56.93 56.32 1r8a s PHE 342 Cb -0.16 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.05 1r8a s PHE 342 CO 0.21 -0.65 0.54 1.03 -0.05 0.00 0.00 175.22 176.30 1r8a s ARG 343 N -3.97 4.23 -0.18 1.99 0.52 -1.26 -1.19 118.95 119.08 1r8a s ARG 343 Ca 0.17 0.48 -0.07 0.00 -0.52 0.00 0.00 55.73 55.79 1r8a s ARG 343 Cb 0.04 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 1r8a s ARG 343 CO -0.01 -0.12 0.06 0.50 0.02 0.00 0.00 175.30 175.75 1r8a s ARG 344 N 1.52 3.94 0.09 3.54 6.06 0.79 -4.96 118.95 129.93 1r8a s ARG 344 Ca 0.26 -0.36 -0.30 0.00 -2.50 0.00 0.00 55.73 52.83 1r8a s ARG 344 Cb -0.16 -3.20 -0.06 0.00 0.06 0.00 0.00 34.95 31.60 1r8a s ARG 344 CO 0.10 0.25 1.03 1.41 -2.50 0.00 0.00 175.30 175.59 1r8a s MET 345 N 0.44 4.60 0.00 5.12 -2.45 -1.26 -1.12 119.30 124.63 1r8a s MET 345 Ca 0.03 1.55 0.00 0.00 -1.25 0.00 0.00 55.69 56.02 1r8a s MET 345 Cb -0.13 -3.37 0.00 0.00 1.25 0.00 0.00 34.83 32.58 1r8a s MET 345 CO 0.01 0.05 0.00 0.41 1.05 0.00 0.00 175.02 176.53 1r8a n GLY 346 N 2.51 3.75 3.88 2.11 0.00 0.23 -4.92 105.19 112.75 1r8a n GLY 346 Ca 0.04 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1r8a n GLY 346 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r8a s PRO 347 N -0.47 3.01 0.63 1.61 0.04 -1.26 -4.47 135.00 134.08 1r8a s PRO 347 Ca 0.00 0.49 -0.19 0.00 0.04 0.00 0.00 61.00 61.34 1r8a s PRO 347 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1r8a s PRO 347 CO 0.00 -0.92 1.31 -0.65 0.04 0.00 0.00 177.00 176.78 1r8a s GLN 348 N -5.30 2.66 0.49 4.56 -1.52 -1.26 -0.56 119.66 118.73 1r8a s GLN 348 Ca 0.57 2.10 0.15 0.00 -1.95 0.00 0.00 55.36 56.23 1r8a s GLN 348 Cb -0.11 -1.92 1.18 0.00 -0.22 0.00 0.00 33.01 31.94 1r8a s GLN 348 CO 0.52 -1.52 2.11 0.27 -0.25 0.00 0.00 175.29 176.42 1r8a h PHE 349 N 0.72 0.13 -0.14 0.91 -5.15 -1.49 -2.65 116.94 109.28 1r8a h PHE 349 Ca -0.51 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.25 1r8a h PHE 349 Cb 1.33 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 37.45 1r8a h PHE 349 CO 0.42 0.08 0.03 0.93 -2.00 0.00 0.00 178.31 177.77 1r8a h GLU 350 N 0.14 0.19 -5.62 6.09 3.07 -1.90 -3.40 114.58 113.13 1r8a h GLU 350 Ca 0.06 -0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 58.21 1r8a h GLU 350 Cb 0.07 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 27.84 1r8a h GLU 350 CO -0.01 0.18 1.98 0.34 -1.40 0.00 0.00 179.01 180.10 1r8a s ASP 351 N -6.93 6.87 0.14 1.42 2.15 -1.00 -4.86 116.67 114.47 1r8a s ASP 351 Ca -0.06 -2.52 -0.19 0.00 0.43 0.00 0.00 52.55 50.22 1r8a s ASP 351 Cb 0.17 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.27 1r8a s ASP 351 CO 0.70 -1.09 1.69 -0.08 -0.17 0.00 0.00 175.17 176.22 1r8a h GLU 352 N 7.60 0.01 -0.40 4.34 4.81 -1.88 -1.30 114.58 127.77 1r8a h GLU 352 Ca 0.41 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1r8a h GLU 352 Cb 0.88 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1r8a h GLU 352 CO 1.41 0.01 0.19 -0.09 -0.73 0.00 0.00 179.01 179.80 1r8a h ARG 353 N 0.01 0.38 0.00 1.92 2.43 -1.97 -1.39 114.38 115.76 1r8a h ARG 353 Ca 0.13 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 1r8a h ARG 353 Cb 0.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1r8a h ARG 353 CO -0.27 0.25 -0.62 -0.91 -1.51 0.00 0.00 179.97 176.91 1r8a h ASN 354 N 0.39 0.00 -0.62 -3.80 2.35 -1.88 -2.30 115.58 109.73 1r8a h ASN 354 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1r8a h ASN 354 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1r8a h ASN 354 CO -0.13 0.62 0.17 0.58 -1.65 0.00 0.00 177.43 177.03 1r8a h VAL 355 N 0.00 1.25 -0.69 2.81 2.07 -0.91 -1.81 116.25 118.97 1r8a h VAL 355 Ca -0.01 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1r8a h VAL 355 Cb 1.14 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1r8a h VAL 355 CO 0.08 0.34 0.28 0.50 0.02 0.00 0.00 177.57 178.79 1r8a h LYS 356 N 0.96 1.03 -0.49 1.57 3.64 -0.94 -1.04 116.57 121.31 1r8a h LYS 356 Ca 0.21 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1r8a h LYS 356 Cb 0.32 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1r8a h LYS 356 CO -0.00 0.85 0.14 0.87 -2.27 0.00 0.00 179.45 179.04 1r8a h LYS 357 N 0.98 0.76 -0.75 1.90 1.57 -1.11 -2.05 116.57 117.87 1r8a h LYS 357 Ca 0.23 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1r8a h LYS 357 Cb 0.20 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1r8a h LYS 357 CO -0.02 0.73 0.23 0.35 -0.57 0.00 0.00 179.45 180.17 1r8a h PHE 358 N 0.66 1.20 0.00 -1.35 3.57 -0.89 -2.67 116.94 117.47 1r8a h PHE 358 Ca 0.16 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1r8a h PHE 358 Cb 0.29 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1r8a h PHE 358 CO 0.02 0.95 0.00 -0.07 -2.23 0.00 0.00 178.31 176.98 1r8a h LEU 359 N 1.11 0.00 -1.40 0.59 3.38 -1.08 -3.28 115.31 114.63 1r8a h LEU 359 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1r8a h LEU 359 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1r8a h LEU 359 CO -0.01 0.00 -0.21 0.28 0.09 0.00 0.00 178.44 178.59 1r8a h SER 360 N 0.00 0.12 -3.37 -0.43 0.02 -1.00 -3.45 113.55 105.45 1r8a h SER 360 Ca 0.00 -0.03 -0.52 0.00 -0.84 0.00 0.00 61.79 60.40 1r8a h SER 360 Cb 0.73 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.25 1r8a h SER 360 CO 0.00 0.35 0.57 -0.13 -1.14 0.00 0.00 176.83 176.48 1r8a s ARG 361 N -4.56 4.46 0.06 3.45 0.52 -1.24 -4.95 118.95 116.69 1r8a s ARG 361 Ca -0.04 1.87 -0.31 0.00 -0.52 0.00 0.00 55.73 56.73 1r8a s ARG 361 Cb 0.15 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.30 1r8a s ARG 361 CO 0.72 -0.16 1.25 1.21 0.02 0.00 0.00 175.30 178.34 1r8a s ASN 362 N 0.45 7.01 0.17 0.23 2.47 -1.26 -5.02 114.94 118.98 1r8a s ASN 362 Ca 0.55 2.07 0.00 0.00 0.42 0.00 0.00 52.86 55.91 1r8a s ASN 362 Cb -0.32 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.86 1r8a s ASN 362 CO 0.34 -0.53 0.04 -0.13 -3.72 0.00 0.00 177.10 173.10 1r8a s ARG 363 N 1.23 1.07 0.22 0.43 0.52 -1.26 -5.07 118.95 116.09 1r8a s ARG 363 Ca 0.60 -1.53 0.11 0.00 -0.52 0.00 0.00 55.73 54.39 1r8a s ARG 363 Cb -0.31 -0.04 0.13 0.00 0.52 0.00 0.00 34.95 35.26 1r8a s ARG 363 CO 0.29 -0.21 1.47 0.00 0.02 0.00 0.00 175.30 176.86 1r8a h ALA 364 N 2.72 0.68 -2.81 2.13 0.00 -1.96 -3.45 119.26 116.57 1r8a h ALA 364 Ca -0.36 -0.67 -0.63 0.00 0.00 0.00 0.00 54.91 53.25 1r8a h ALA 364 Cb 1.21 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 1r8a h ALA 364 CO 0.61 0.92 -0.77 -0.06 0.00 0.00 0.00 179.25 179.94 1r8a s PHE 365 N -3.16 2.41 0.09 0.00 0.08 -1.26 -5.13 117.98 111.01 1r8a s PHE 365 Ca 0.00 -0.31 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 1r8a s PHE 365 Cb 0.11 -1.14 -0.05 0.00 -0.57 0.00 0.00 43.02 41.36 1r8a s PHE 365 CO 0.77 0.57 0.99 1.03 -0.10 0.00 0.00 175.22 178.48 1r8a s ARG 366 N -3.01 4.65 1.01 0.44 0.52 -1.26 -4.77 118.95 116.53 1r8a s ARG 366 Ca 0.25 1.48 -0.12 0.00 -0.52 0.00 0.00 55.73 56.83 1r8a s ARG 366 Cb -0.07 -3.38 0.20 0.00 0.52 0.00 0.00 34.95 32.21 1r8a s ARG 366 CO 0.13 0.13 1.08 -2.14 0.02 0.00 0.00 175.30 174.52 1r8a s PRO 367 N 0.19 0.33 0.10 3.54 0.02 -1.26 -4.63 135.00 133.29 1r8a s PRO 367 Ca 0.49 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.32 1r8a s PRO 367 Cb -0.24 -1.69 0.02 0.00 0.02 0.00 0.00 34.50 32.61 1r8a s PRO 367 CO 0.30 -2.91 0.29 -0.59 -0.33 0.00 0.00 177.00 173.76 1r8a s PHE 368 N -2.71 -0.02 -0.14 6.54 -0.12 -0.11 -4.98 117.98 116.44 1r8a s PHE 368 Ca 0.66 -0.35 -0.09 0.00 -0.05 0.00 0.00 56.93 57.10 1r8a s PHE 368 Cb -0.21 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1r8a s PHE 368 CO 0.60 -0.61 0.16 0.42 -0.05 0.00 0.00 175.22 175.74 1r8a s ILE 369 N -3.79 5.45 -0.13 -4.49 1.01 -1.26 -1.14 121.20 116.85 1r8a s ILE 369 Ca 0.04 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 1r8a s ILE 369 Cb 0.03 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 39.10 1r8a s ILE 369 CO -0.11 0.56 0.33 -0.70 0.00 0.00 0.00 174.94 175.02 1r8a s GLU 370 N -0.60 0.32 -1.55 2.79 2.12 0.08 -4.89 118.70 116.98 1r8a s GLU 370 Ca 0.14 0.61 -0.03 0.00 0.36 0.00 0.00 54.97 56.05 1r8a s GLU 370 Cb -0.12 -0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.28 1r8a s GLU 370 CO 0.03 -0.13 0.17 0.09 -0.54 0.00 0.00 175.26 174.88 1r8a n ASN 371 N 3.93 0.30 0.00 -1.70 3.02 -1.26 -2.16 115.26 117.38 1r8a n ASN 371 Ca -0.22 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1r8a n ASN 371 Cb 0.55 -1.97 0.00 0.00 -0.61 0.00 0.00 39.78 37.75 1r8a n ASN 371 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r8a n GLY 372 N -2.29 0.76 3.05 7.41 0.00 -1.26 -5.00 105.19 107.86 1r8a n GLY 372 Ca -0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 1r8a n GLY 372 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r8a s ARG 373 N -0.14 0.59 0.47 1.61 3.52 -0.92 -1.15 118.95 122.93 1r8a s ARG 373 Ca 0.00 -0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 54.79 1r8a s ARG 373 Cb 0.00 -0.47 -0.09 0.00 -1.56 0.00 0.00 34.95 32.83 1r8a s ARG 373 CO 0.00 0.11 1.01 -1.58 -0.81 0.00 0.00 175.30 174.02 1r8a s TRP 374 N -0.92 3.11 0.00 5.12 0.52 0.27 -0.74 118.94 126.30 1r8a s TRP 374 Ca -0.04 1.59 -0.10 0.00 0.02 0.00 0.00 56.10 57.57 1r8a s TRP 374 Cb -0.07 -2.99 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1r8a s TRP 374 CO 0.00 -0.58 0.19 -1.58 0.02 0.00 0.00 176.95 175.00 1r8a s TRP 375 N -2.06 -0.02 -0.00 -1.98 0.52 -0.29 -0.60 118.94 114.51 1r8a s TRP 375 Ca 0.65 -0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.77 1r8a s TRP 375 Cb -0.14 -0.01 -0.01 0.00 -1.15 0.00 0.00 33.47 32.17 1r8a s TRP 375 CO 0.18 -0.32 -0.09 0.00 0.02 0.00 0.00 176.95 176.73 1r8a s ALA 376 N -1.43 0.76 -0.05 0.98 0.00 -0.27 -0.94 121.76 120.80 1r8a s ALA 376 Ca -0.14 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1r8a s ALA 376 Cb -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1r8a s ALA 376 CO 0.02 0.18 1.20 -0.06 0.00 0.00 0.00 175.76 177.10 1r8a s PHE 377 N -0.27 3.20 0.29 0.00 0.08 -1.26 -0.15 117.98 119.87 1r8a s PHE 377 Ca 0.03 1.22 0.02 0.00 0.12 0.00 0.00 56.93 58.32 1r8a s PHE 377 Cb -0.04 -3.42 -0.05 0.00 -0.57 0.00 0.00 43.02 38.94 1r8a s PHE 377 CO -0.00 -1.31 0.10 -1.21 -0.10 0.00 0.00 175.22 172.70 1r8a s GLU 378 N 2.17 1.54 -0.15 0.44 2.02 -0.33 -4.71 118.70 119.68 1r8a s GLU 378 Ca 0.56 -1.86 -0.03 0.00 0.02 0.00 0.00 54.97 53.67 1r8a s GLU 378 Cb -0.25 -0.39 -0.02 0.00 0.10 0.00 0.00 34.13 33.57 1r8a s GLU 378 CO 0.22 -0.32 -0.07 -1.64 0.02 0.00 0.00 175.26 173.48 1r8a s MET 379 N -3.94 3.57 0.63 1.61 -1.94 -1.26 -0.70 119.30 117.27 1r8a s MET 379 Ca 0.36 -0.57 -0.17 0.00 -1.71 0.00 0.00 55.69 53.60 1r8a s MET 379 Cb 0.07 -2.83 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 1r8a s MET 379 CO 0.15 0.22 1.15 1.03 -0.01 0.00 0.00 175.02 177.56 1r8a s ARG 380 N 0.38 2.84 0.00 2.03 0.52 0.07 -4.97 118.95 119.82 1r8a s ARG 380 Ca -0.06 1.60 0.27 0.00 -0.52 0.00 0.00 55.73 57.02 1r8a s ARG 380 Cb -0.15 -1.94 0.81 0.00 0.52 0.00 0.00 34.95 34.19 1r8a s ARG 380 CO 0.04 -1.26 1.60 1.63 0.02 0.00 0.00 175.30 177.33 1r8a n LYS 381 N -2.04 0.90 -3.73 3.54 5.02 -1.26 -4.92 118.16 115.66 1r8a n LYS 381 Ca 0.12 -0.52 -0.13 0.00 -2.02 0.00 0.00 58.31 55.76 1r8a n LYS 381 Cb 0.51 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 1r8a n LYS 381 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1r8a s PHE 382 N -2.46 -0.21 0.00 2.13 -0.12 -1.26 -5.00 117.98 111.06 1r8a s PHE 382 Ca 0.26 0.29 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 1r8a s PHE 382 Cb 0.19 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1r8a s PHE 382 CO 0.50 -0.44 0.27 0.25 -0.05 0.00 0.00 175.22 175.76 1r8a n THR 383 N 1.09 0.00 -4.40 -4.49 -2.24 -1.26 -4.92 114.28 98.06 1r8a n THR 383 Ca -0.21 -0.43 -0.24 0.00 -2.27 0.00 0.00 64.05 60.90 1r8a n THR 383 Cb 0.57 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.77 1r8a n THR 383 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1r8a s THR 384 N -0.32 2.17 0.28 4.28 -4.23 -1.26 -0.38 115.64 116.17 1r8a s THR 384 Ca 0.00 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.41 1r8a s THR 384 Cb 0.00 -2.07 0.16 0.00 1.34 0.00 0.00 72.50 71.93 1r8a s THR 384 CO 0.00 -0.27 1.83 1.55 -0.54 0.00 0.00 174.62 177.19 1r8a h PRO 385 N 2.98 0.85 -0.45 3.99 0.13 -1.79 -1.69 132.00 136.02 1r8a h PRO 385 Ca -0.43 -0.17 0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1r8a h PRO 385 Cb 1.22 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 1r8a h PRO 385 CO 0.52 0.75 0.12 0.93 -0.23 0.00 0.00 178.00 180.10 1r8a h GLU 386 N 0.82 0.26 -0.31 0.86 3.07 -1.95 -0.99 114.58 116.35 1r8a h GLU 386 Ca 0.18 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1r8a h GLU 386 Cb 0.27 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1r8a h GLU 386 CO -0.00 0.17 0.01 0.93 -1.40 0.00 0.00 179.01 178.72 1r8a h GLU 387 N 0.27 0.53 -0.60 2.33 5.08 -1.92 -0.98 114.58 119.30 1r8a h GLU 387 Ca 0.22 -0.16 0.12 0.00 -1.00 0.00 0.00 59.36 58.53 1r8a h GLU 387 Cb 0.25 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 1r8a h GLU 387 CO -0.26 0.66 -0.18 0.78 -1.00 0.00 0.00 179.01 179.02 1r8a h GLY 388 N 0.34 0.36 1.48 -3.84 0.00 -1.13 -1.39 103.07 98.89 1r8a h GLY 388 Ca 0.09 0.23 -0.20 0.00 0.00 0.00 0.00 47.33 47.45 1r8a h GLY 388 CO 0.01 -0.23 -0.79 -2.08 0.00 0.00 0.00 176.54 173.46 1r8a h VAL 389 N -0.03 1.36 -0.60 4.60 2.07 -0.85 0.13 116.25 122.93 1r8a h VAL 389 Ca 0.28 -2.16 0.12 0.00 0.82 0.00 0.00 66.70 65.77 1r8a h VAL 389 Cb 0.46 2.14 -0.10 0.00 -1.52 0.00 0.00 31.29 32.27 1r8a h VAL 389 CO -0.63 0.66 -0.03 -0.09 0.02 0.00 0.00 177.57 177.50 1r8a h ARG 390 N 0.33 0.09 -0.26 1.57 2.43 -0.88 0.60 114.38 118.26 1r8a h ARG 390 Ca -0.05 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 1r8a h ARG 390 Cb 1.38 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1r8a h ARG 390 CO 0.14 0.06 -0.08 1.03 -1.51 0.00 0.00 179.97 179.61 1r8a h SER 391 N 0.09 0.52 -0.07 -3.80 0.87 -0.58 -1.87 113.55 108.71 1r8a h SER 391 Ca 0.31 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 1r8a h SER 391 Cb 0.49 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1r8a h SER 391 CO -0.53 0.78 0.00 0.22 -0.53 0.00 0.00 176.83 176.77 1r8a h TYR 392 N 0.26 0.13 -0.14 2.24 3.20 -0.20 -2.28 116.97 120.18 1r8a h TYR 392 Ca 0.06 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1r8a h TYR 392 Cb 0.56 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1r8a h TYR 392 CO 0.05 0.38 -0.03 0.00 -1.64 0.00 0.00 178.16 176.93 1r8a h ALA 393 N 0.73 1.69 -0.02 1.82 0.00 -0.95 0.39 119.26 122.92 1r8a h ALA 393 Ca 0.02 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1r8a h ALA 393 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r8a h ALA 393 CO 0.00 0.23 -0.65 0.77 0.00 0.00 0.00 179.25 179.60 1r8a h SER 394 N 0.21 0.10 0.00 0.00 0.02 -0.98 -3.25 113.55 109.65 1r8a h SER 394 Ca 0.05 -0.06 -0.31 0.00 -0.84 0.00 0.00 61.79 60.63 1r8a h SER 394 Cb 0.19 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 1r8a h SER 394 CO 0.01 0.72 -2.15 0.41 -1.14 0.00 0.00 176.83 174.68 1r8a n THR 395 N -3.79 1.15 -1.68 -2.27 -1.04 -0.89 -4.67 114.28 101.09 1r8a n THR 395 Ca -0.02 -0.69 0.06 0.00 -2.04 0.00 0.00 64.05 61.36 1r8a n THR 395 Cb 0.65 -0.60 0.18 0.00 -1.82 0.00 0.00 70.33 68.74 1r8a n THR 395 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1r8a n HIS 396 N -2.65 0.00 0.09 -1.42 -0.00 0.13 -4.68 115.22 106.70 1r8a n HIS 396 Ca -0.28 -1.34 0.17 0.00 -0.00 0.00 0.00 57.72 56.27 1r8a n HIS 396 Cb 1.04 -0.23 0.70 0.00 -0.00 0.00 0.00 29.99 31.49 1r8a n HIS 396 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.34 176.45 1r8a h TRP 397 N 0.94 0.00 0.00 4.41 5.08 -1.69 -1.71 115.95 122.98 1r8a h TRP 397 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.94 1r8a h TRP 397 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1r8a h TRP 397 CO 0.64 0.00 0.04 1.12 -1.28 0.00 0.00 178.44 178.96 1r8a h HIS 398 N 0.00 0.00 -0.27 0.12 2.07 -1.86 -1.44 115.15 113.77 1r8a h HIS 398 Ca 0.17 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.69 1r8a h HIS 398 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1r8a h HIS 398 CO 0.00 0.00 0.00 -2.37 -3.07 0.00 0.00 177.93 172.49 1r8a n THR 399 N -2.78 0.36 -1.19 6.12 5.66 -0.64 -4.48 114.28 117.32 1r8a n THR 399 Ca -0.02 -0.68 -0.11 0.00 -3.05 0.00 0.00 64.05 60.18 1r8a n THR 399 Cb 0.09 1.11 0.24 0.00 -1.55 0.00 0.00 70.33 70.22 1r8a n THR 399 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1r8a n LEU 400 N 1.36 5.82 0.00 1.09 4.77 -0.54 -4.80 117.00 124.69 1r8a n LEU 400 Ca 0.17 -3.46 0.00 0.00 -0.03 0.00 0.00 56.01 52.68 1r8a n LEU 400 Cb 0.57 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1r8a n LEU 400 CO 0.15 0.98 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1r8a n GLY 401 N -0.74 2.25 0.13 -0.72 0.00 -1.26 -3.36 105.19 101.48 1r8a n GLY 401 Ca 0.45 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 1r8a n GLY 401 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r8a h LYS 402 N 0.00 -0.04 0.04 1.61 3.64 -1.93 0.71 116.57 120.60 1r8a h LYS 402 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1r8a h LYS 402 Cb 0.00 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1r8a h LYS 402 CO 0.00 -0.02 -2.01 0.09 -2.27 0.00 0.00 179.45 175.24 1r8a n ASN 403 N -5.22 1.25 -0.19 4.20 4.13 -1.26 -3.22 115.26 114.94 1r8a n ASN 403 Ca -0.02 0.21 -0.08 0.00 1.68 0.00 0.00 54.58 56.37 1r8a n ASN 403 Cb 0.15 -0.17 0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1r8a n ASN 403 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1r8a h VAL 404 N 0.02 1.21 -0.16 2.41 2.07 -1.75 -1.21 116.25 118.83 1r8a h VAL 404 Ca -0.41 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1r8a h VAL 404 Cb 2.05 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1r8a h VAL 404 CO 0.05 0.25 0.07 1.23 0.02 0.00 0.00 177.57 179.19 1r8a h GLY 405 N 0.74 0.25 1.12 2.17 0.00 -0.85 -1.98 103.07 104.53 1r8a h GLY 405 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1r8a h GLY 405 CO -0.02 0.12 0.29 0.83 0.00 0.00 0.00 176.54 177.77 1r8a h GLU 406 N 0.13 1.11 -0.50 4.80 3.07 -1.49 -0.34 114.58 121.37 1r8a h GLU 406 Ca 0.06 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 1r8a h GLU 406 Cb 0.13 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1r8a h GLU 406 CO -0.01 0.91 0.22 1.03 -1.40 0.00 0.00 179.01 179.76 1r8a h SER 407 N 1.09 0.67 -0.51 1.42 0.87 -1.01 -2.65 113.55 113.43 1r8a h SER 407 Ca 0.25 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1r8a h SER 407 Cb 0.21 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1r8a h SER 407 CO -0.02 0.64 0.14 0.40 -0.53 0.00 0.00 176.83 177.46 1r8a h ILE 408 N 0.66 1.23 -0.79 2.23 2.04 -0.83 -1.08 117.51 120.97 1r8a h ILE 408 Ca 0.17 -0.82 0.11 0.00 1.00 0.00 0.00 64.86 65.32 1r8a h ILE 408 Cb 0.16 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1r8a h ILE 408 CO -0.02 0.31 0.41 -0.09 0.00 0.00 0.00 178.15 178.77 1r8a h ARG 409 N 0.83 0.64 -0.13 2.37 2.43 -0.96 -3.00 114.38 116.57 1r8a h ARG 409 Ca 0.18 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1r8a h ARG 409 Cb 0.29 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1r8a h ARG 409 CO -0.00 0.42 -0.55 0.93 -1.51 0.00 0.00 179.97 179.26 1r8a h GLU 410 N 0.66 0.61 -1.73 0.20 5.08 -0.95 -3.46 114.58 114.99 1r8a h GLU 410 Ca 0.41 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1r8a h GLU 410 Cb 0.47 0.09 -0.25 0.00 0.50 0.00 0.00 28.75 29.57 1r8a h GLU 410 CO -0.30 1.10 0.24 -0.47 -1.00 0.00 0.00 179.01 178.58 1r8a s TYR 411 N -3.76 -0.77 0.14 4.33 6.14 -0.50 -5.13 117.35 117.80 1r8a s TYR 411 Ca -0.12 1.55 -0.11 0.00 0.64 0.00 0.00 57.07 59.03 1r8a s TYR 411 Cb 0.07 0.46 0.00 0.00 0.42 0.00 0.00 41.96 42.91 1r8a s TYR 411 CO 0.85 -0.38 0.30 -0.59 0.64 0.00 0.00 175.55 176.37 1r8a s PHE 412 N 1.42 0.20 0.00 4.97 -0.12 -1.25 -4.24 117.98 118.96 1r8a s PHE 412 Ca -0.09 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.22 1r8a s PHE 412 Cb -0.04 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1r8a s PHE 412 CO -0.16 -0.70 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.29 1r8a s GLU 413 N -3.91 0.15 -0.21 1.99 2.12 -0.56 -4.97 118.70 113.31 1r8a s GLU 413 Ca 0.11 -0.15 -0.16 0.00 0.36 0.00 0.00 54.97 55.13 1r8a s GLU 413 Cb 0.03 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 1r8a s GLU 413 CO -0.05 0.02 0.40 0.42 -0.54 0.00 0.00 175.26 175.51 1r8a s ILE 414 N -0.29 5.20 -0.11 -3.70 -1.09 -1.26 -0.64 121.20 119.31 1r8a s ILE 414 Ca -0.02 0.70 0.02 0.00 -2.23 0.00 0.00 60.65 59.12 1r8a s ILE 414 Cb -0.02 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1r8a s ILE 414 CO -0.00 0.24 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.14 1r8a s ILE 415 N 1.36 2.54 0.11 2.92 1.01 0.81 -4.95 121.20 125.01 1r8a s ILE 415 Ca 0.19 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1r8a s ILE 415 Cb -0.15 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1r8a s ILE 415 CO 0.08 0.54 -0.10 -0.44 0.00 0.00 0.00 174.94 175.03 1r8a s SER 416 N 0.30 1.52 0.84 3.58 0.01 -1.26 0.06 113.70 118.75 1r8a s SER 416 Ca -0.14 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1r8a s SER 416 Cb -0.17 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1r8a s SER 416 CO 0.07 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1r8a n GLY 417 N 0.29 1.58 0.37 3.44 0.00 -1.26 -3.05 105.19 106.57 1r8a n GLY 417 Ca -0.14 -0.58 0.20 0.00 0.00 0.00 0.00 46.02 45.49 1r8a n GLY 417 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r8a h GLU 418 N 0.00 0.00 -0.20 1.61 4.39 -2.00 0.57 114.58 118.95 1r8a h GLU 418 Ca 0.00 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1r8a h GLU 418 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1r8a h GLU 418 CO 0.00 0.00 -0.71 0.87 -1.16 0.00 0.00 179.01 178.01 1r8a h LYS 419 N 0.00 0.83 -0.40 2.33 6.56 -1.97 -2.64 116.57 121.29 1r8a h LYS 419 Ca 0.21 -0.63 0.11 0.00 -1.06 0.00 0.00 60.65 59.28 1r8a h LYS 419 Cb 0.92 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 1r8a h LYS 419 CO -0.00 1.24 0.34 1.25 -2.06 0.00 0.00 179.45 180.22 1r8a h LEU 420 N 0.59 0.00 0.00 2.94 5.85 -0.80 -0.07 115.31 123.83 1r8a h LEU 420 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1r8a h LEU 420 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1r8a h LEU 420 CO 0.15 0.00 -0.33 0.49 -0.34 0.00 0.00 178.44 178.41 1r8a n PHE 421 N -4.06 0.47 0.60 1.25 0.99 -1.00 -2.91 117.46 112.81 1r8a n PHE 421 Ca 0.07 0.14 0.10 0.00 -0.00 0.00 0.00 57.45 57.75 1r8a n PHE 421 Cb 0.53 -0.64 0.41 0.00 -1.00 0.00 0.00 39.48 38.77 1r8a n PHE 421 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1r8a n LYS 422 N -1.95 0.04 -4.02 -1.08 5.02 -0.04 -4.87 118.16 111.26 1r8a n LYS 422 Ca 0.05 0.22 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 1r8a n LYS 422 Cb 0.40 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1r8a n LYS 422 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1r8a s GLU 423 N -3.05 3.22 -1.58 1.97 0.41 -1.14 -5.01 118.70 113.51 1r8a s GLU 423 Ca 0.08 -0.84 -0.11 0.00 -0.41 0.00 0.00 54.97 53.70 1r8a s GLU 423 Cb 0.12 -2.77 -0.05 0.00 -1.78 0.00 0.00 34.13 29.64 1r8a s GLU 423 CO 0.36 0.44 2.79 -0.35 -0.49 0.00 0.00 175.26 178.01 1r8a n PRO 424 N -1.09 3.58 0.00 0.39 -0.04 -1.26 -4.14 135.00 132.44 1r8a n PRO 424 Ca -0.08 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1r8a n PRO 424 Cb 0.57 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1r8a n PRO 424 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1r8a n VAL 425 N 3.79 0.00 -0.31 0.52 0.24 -1.26 -4.80 118.33 116.52 1r8a n VAL 425 Ca 0.73 -0.24 -0.04 0.00 -2.04 0.00 0.00 64.34 62.75 1r8a n VAL 425 Cb 0.26 1.41 0.08 0.00 -1.47 0.00 0.00 33.84 34.12 1r8a n VAL 425 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1r8a h THR 426 N 0.41 1.23 -0.71 3.34 1.35 -1.88 0.15 112.91 116.79 1r8a h THR 426 Ca 0.00 -0.45 -0.05 0.00 -0.55 0.00 0.00 66.41 65.36 1r8a h THR 426 Cb 0.20 0.02 -0.03 0.00 -1.73 0.00 0.00 68.15 66.62 1r8a h THR 426 CO 0.00 0.23 0.26 0.00 -0.25 0.00 0.00 175.52 175.76 1r8a h ALA 427 N 1.29 0.93 -0.54 6.62 0.00 -1.95 -0.85 119.26 124.75 1r8a h ALA 427 Ca 0.30 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1r8a h ALA 427 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1r8a h ALA 427 CO -0.06 0.57 -0.09 0.93 0.00 0.00 0.00 179.25 180.60 1r8a h GLU 428 N 1.03 1.02 -0.04 0.00 3.07 -1.61 -2.38 114.58 115.67 1r8a h GLU 428 Ca 0.23 -0.37 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1r8a h GLU 428 Cb 0.25 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1r8a h GLU 428 CO -0.01 1.06 0.03 -0.07 -1.40 0.00 0.00 179.01 178.61 1r8a h LEU 429 N 0.90 0.05 -0.41 1.33 3.38 -0.49 -0.30 115.31 119.77 1r8a h LEU 429 Ca 0.14 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1r8a h LEU 429 Cb 0.66 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 1r8a h LEU 429 CO 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 178.44 178.61 1r8a h GLU 431 N 0.08 1.06 -0.06 0.00 4.57 -1.20 -0.85 114.58 118.17 1r8a h GLU 431 Ca 0.20 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1r8a h GLU 431 Cb 0.30 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1r8a h GLU 431 CO -0.36 0.93 -0.32 1.98 -1.18 0.00 0.00 179.01 180.06 1r8a h MET 432 N 1.01 0.12 -0.02 1.92 4.05 -0.36 -2.49 114.93 119.16 1r8a h MET 432 Ca 0.21 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1r8a h MET 432 Cb 0.34 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1r8a h MET 432 CO -0.00 0.43 -0.18 -1.33 0.23 0.00 0.00 176.91 176.06 1r8a n MET 433 N -4.13 1.44 -2.56 0.39 2.81 -0.31 -4.92 117.12 109.84 1r8a n MET 433 Ca -0.02 -1.01 -0.13 0.00 -1.81 0.00 0.00 57.70 54.74 1r8a n MET 433 Cb 0.38 -1.48 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1r8a n MET 433 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r8a n GLY 434 N 1.31 -0.06 3.73 3.03 0.00 -0.54 -4.96 105.19 107.70 1r8a n GLY 434 Ca 0.14 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1r8a n GLY 434 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r8a s VAL 435 N -2.82 2.21 0.37 1.61 1.01 -0.44 -4.98 120.40 117.37 1r8a s VAL 435 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1r8a s VAL 435 Cb -0.05 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1r8a s VAL 435 CO 0.15 0.02 0.65 -0.54 0.00 0.00 0.00 175.10 175.38 1r8a s LYS 436 N 0.46 3.60 0.00 2.72 1.02 -1.26 -4.86 119.74 121.42 1r8a s LYS 436 Ca 0.69 0.06 0.11 0.00 0.02 0.00 0.00 55.97 56.84 1r8a s LYS 436 Cb -0.47 -2.53 0.66 0.00 -0.52 0.00 0.00 37.83 34.97 1r8a s LYS 436 CO 0.38 0.04 1.10 -3.47 -0.92 0.00 0.00 175.35 172.48