#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r89 n LYS 2 N 0.00 0.00 -0.07 0.03 3.00 -1.26 -4.58 118.16 115.27 1r89 n LYS 2 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1r89 n LYS 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1r89 n LYS 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1r89 h VAL 3 N 0.00 1.17 -0.22 3.15 2.07 -1.99 -1.11 116.25 119.32 1r89 h VAL 3 Ca 0.00 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1r89 h VAL 3 Cb 0.00 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1r89 h VAL 3 CO 0.00 0.18 0.09 -0.08 0.02 0.00 0.00 177.57 177.77 1r89 h GLU 4 N 0.24 0.30 -0.20 1.57 4.57 -2.00 -1.12 114.58 117.96 1r89 h GLU 4 Ca 0.08 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 58.04 1r89 h GLU 4 Cb 0.19 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1r89 h GLU 4 CO -0.01 0.26 -0.64 1.49 -1.18 0.00 0.00 179.01 178.94 1r89 h GLU 5 N 0.31 0.70 -0.49 1.92 4.81 -1.69 -2.71 114.58 117.42 1r89 h GLU 5 Ca 0.08 -0.49 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1r89 h GLU 5 Cb 0.07 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1r89 h GLU 5 CO -0.01 1.11 -0.03 0.82 -0.73 0.00 0.00 179.01 180.18 1r89 h ILE 6 N 0.52 1.25 -0.20 2.32 2.04 -0.21 -1.71 117.51 121.51 1r89 h ILE 6 Ca -0.01 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.63 1r89 h ILE 6 Cb 1.23 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1r89 h ILE 6 CO 0.13 0.38 -0.52 -0.07 0.00 0.00 0.00 178.15 178.07 1r89 h LEU 7 N 0.77 0.62 0.04 1.44 3.38 -1.27 0.98 115.31 121.28 1r89 h LEU 7 Ca 0.14 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1r89 h LEU 7 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1r89 h LEU 7 CO 0.03 1.03 -0.11 -0.33 0.09 0.00 0.00 178.44 179.14 1r89 h GLU 8 N 0.44 -0.20 -0.26 1.13 4.39 -1.28 -2.45 114.58 116.36 1r89 h GLU 8 Ca 0.02 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1r89 h GLU 8 Cb 1.05 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1r89 h GLU 8 CO 0.10 -0.13 0.05 0.87 -1.16 0.00 0.00 179.01 178.73 1r89 h LYS 9 N -0.21 0.37 0.00 2.33 1.57 -0.96 -2.81 116.57 116.86 1r89 h LYS 9 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1r89 h LYS 9 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1r89 h LYS 9 CO -0.08 0.36 -0.23 0.00 -0.57 0.00 0.00 179.45 178.92 1r89 h ALA 10 N 1.69 1.04 -0.61 3.86 0.00 -0.42 -3.11 119.26 121.71 1r89 h ALA 10 Ca 0.09 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1r89 h ALA 10 Cb 0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1r89 h ALA 10 CO -0.00 0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.88 1r89 h LEU 11 N 0.00 0.26 -0.24 0.00 3.38 -1.17 -2.05 115.31 115.49 1r89 h LEU 11 Ca -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1r89 h LEU 11 Cb 0.72 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1r89 h LEU 11 CO 0.03 0.15 -0.23 1.05 0.09 0.00 0.00 178.44 179.52 1r89 h GLU 12 N 0.28 0.00 0.00 1.13 4.11 -1.73 0.62 114.58 119.00 1r89 h GLU 12 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1r89 h GLU 12 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1r89 h GLU 12 CO -0.07 0.23 0.00 -0.07 0.07 0.00 0.00 179.01 179.18 1r89 h LEU 13 N 0.00 0.00 0.00 3.06 3.38 -1.55 -3.38 115.31 116.82 1r89 h LEU 13 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1r89 h LEU 13 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1r89 h LEU 13 CO 0.03 0.00 -1.23 0.52 0.09 0.00 0.00 178.44 177.85 1r89 n VAL 14 N -2.50 0.23 -2.97 1.22 0.31 -1.09 -4.79 118.33 108.75 1r89 n VAL 14 Ca 0.04 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.83 1r89 n VAL 14 Cb 0.40 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.42 1r89 n VAL 14 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1r89 s ILE 15 N -2.08 5.00 0.40 2.52 1.01 0.19 -1.68 121.20 126.57 1r89 s ILE 15 Ca -0.02 1.59 -0.27 0.00 0.00 0.00 0.00 60.65 61.95 1r89 s ILE 15 Cb 0.01 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.28 1r89 s ILE 15 CO 0.13 0.23 1.42 -2.16 0.00 0.00 0.00 174.94 174.56 1r89 s PRO 16 N 0.88 3.95 0.66 2.79 0.04 -1.26 -4.71 135.00 137.35 1r89 s PRO 16 Ca 0.41 2.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.76 1r89 s PRO 16 Cb -0.18 -2.83 0.16 0.00 0.04 0.00 0.00 34.50 31.69 1r89 s PRO 16 CO 0.20 -0.61 0.62 -0.40 0.04 0.00 0.00 177.00 176.86 1r89 n ASP 17 N 0.20 -1.41 -0.04 6.66 5.68 -1.26 -4.77 116.55 121.61 1r89 n ASP 17 Ca 0.03 -0.92 -0.14 0.00 -0.50 0.00 0.00 54.79 53.26 1r89 n ASP 17 Cb 0.41 -0.56 -0.09 0.00 -1.14 0.00 0.00 41.12 39.74 1r89 n ASP 17 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1r89 h GLU 18 N 0.00 0.29 0.00 0.11 5.08 -2.01 -2.85 114.58 115.20 1r89 h GLU 18 Ca -0.23 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1r89 h GLU 18 Cb 0.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1r89 h GLU 18 CO 0.15 0.82 0.00 -1.91 -1.00 0.00 0.00 179.01 177.07 1r89 n GLU 19 N -4.52 0.10 0.04 2.33 4.07 -1.26 -2.44 120.64 118.95 1r89 n GLU 19 Ca -0.08 0.24 -0.20 0.00 -0.06 0.00 0.00 57.16 57.06 1r89 n GLU 19 Cb 0.43 -1.65 -0.14 0.00 -0.06 0.00 0.00 31.44 30.01 1r89 n GLU 19 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1r89 h GLU 20 N 0.00 0.28 -0.82 5.31 4.81 -1.89 -2.33 114.58 119.95 1r89 h GLU 20 Ca 0.00 -0.48 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1r89 h GLU 20 Cb 0.41 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1r89 h GLU 20 CO 0.00 1.23 0.47 0.28 -0.73 0.00 0.00 179.01 180.26 1r89 h VAL 21 N -0.38 1.24 0.04 0.32 2.07 -1.27 -1.42 116.25 116.85 1r89 h VAL 21 Ca -0.16 -0.57 -0.22 0.00 0.82 0.00 0.00 66.70 66.57 1r89 h VAL 21 Cb 1.64 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1r89 h VAL 21 CO 0.13 0.26 -1.00 0.03 0.02 0.00 0.00 177.57 177.02 1r89 h ARG 22 N 1.14 0.18 -0.92 1.57 3.08 -1.61 -1.66 114.38 116.16 1r89 h ARG 22 Ca 0.29 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1r89 h ARG 22 Cb 0.00 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1r89 h ARG 22 CO -0.05 1.04 0.56 -0.22 -1.07 0.00 0.00 179.97 180.23 1r89 h LYS 23 N 0.08 1.24 -0.37 0.04 3.64 -1.14 -0.85 116.57 119.22 1r89 h LYS 23 Ca -0.06 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 1r89 h LYS 23 Cb 1.68 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1r89 h LYS 23 CO 0.15 0.86 -0.07 0.78 -2.27 0.00 0.00 179.45 178.91 1r89 h GLY 24 N 1.27 0.76 0.77 5.01 0.00 -1.18 -2.68 103.07 107.02 1r89 h GLY 24 Ca 0.33 -0.61 0.04 0.00 0.00 0.00 0.00 47.33 47.10 1r89 h GLY 24 CO -0.06 0.56 0.38 -0.09 0.00 0.00 0.00 176.54 177.33 1r89 h ARG 25 N 0.50 0.71 -0.41 4.80 2.43 -0.71 0.73 114.38 122.43 1r89 h ARG 25 Ca 0.10 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1r89 h ARG 25 Cb 0.57 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1r89 h ARG 25 CO 0.03 0.47 -0.35 0.93 -1.51 0.00 0.00 179.97 179.54 1r89 h GLU 26 N 0.73 0.96 -0.52 0.20 5.08 -1.17 -0.86 114.58 119.00 1r89 h GLU 26 Ca 0.28 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1r89 h GLU 26 Cb 0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1r89 h GLU 26 CO -0.14 1.15 -0.04 0.00 -1.00 0.00 0.00 179.01 178.98 1r89 h ALA 27 N 0.80 0.70 -0.19 3.43 0.00 -1.17 -2.09 119.26 120.74 1r89 h ALA 27 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1r89 h ALA 27 Cb 0.94 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1r89 h ALA 27 CO 0.09 0.55 0.07 1.49 0.00 0.00 0.00 179.25 181.45 1r89 h GLU 28 N 0.80 0.29 -0.78 0.00 4.81 -0.68 -0.35 114.58 118.66 1r89 h GLU 28 Ca 0.14 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1r89 h GLU 28 Cb 0.57 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1r89 h GLU 28 CO 0.03 0.37 0.49 1.49 -0.73 0.00 0.00 179.01 180.66 1r89 h GLU 29 N 0.15 1.05 -0.20 1.92 4.57 -1.16 -0.87 114.58 120.03 1r89 h GLU 29 Ca 0.06 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1r89 h GLU 29 Cb 0.19 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1r89 h GLU 29 CO -0.00 0.72 -0.26 1.49 -1.18 0.00 0.00 179.01 179.77 1r89 h GLU 30 N 1.07 0.53 -0.78 1.92 4.57 -1.16 -1.74 114.58 118.99 1r89 h GLU 30 Ca 0.28 -0.30 0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1r89 h GLU 30 Cb -0.08 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.48 1r89 h GLU 30 CO -0.06 0.90 0.49 1.25 -1.18 0.00 0.00 179.01 180.41 1r89 h LEU 31 N 0.20 0.79 -0.75 1.64 5.85 -0.96 -2.00 115.31 120.08 1r89 h LEU 31 Ca 0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1r89 h LEU 31 Cb 0.83 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1r89 h LEU 31 CO 0.06 0.54 0.43 0.03 -0.34 0.00 0.00 178.44 179.16 1r89 h ARG 32 N 0.94 1.03 -0.15 1.25 3.08 -1.01 -1.34 114.38 118.17 1r89 h ARG 32 Ca 0.32 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.30 1r89 h ARG 32 Cb 0.06 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.86 1r89 h ARG 32 CO -0.13 0.75 -0.11 0.00 -1.07 0.00 0.00 179.97 179.41 1r89 h ARG 33 N 1.03 -0.11 -0.17 0.04 -0.00 -0.78 0.28 114.38 114.66 1r89 h ARG 33 Ca 0.27 0.01 -0.16 0.00 -0.50 0.00 0.00 59.98 59.59 1r89 h ARG 33 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 1r89 h ARG 33 CO -0.05 -0.08 -0.57 0.00 0.00 0.00 0.00 179.97 179.28 1r89 h ARG 34 N -0.12 0.53 -0.28 0.04 3.08 -1.14 -2.05 114.38 114.44 1r89 h ARG 34 Ca 0.09 -0.34 -0.17 0.00 0.07 0.00 0.00 59.98 59.64 1r89 h ARG 34 Cb 0.26 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1r89 h ARG 34 CO -0.23 0.95 -0.47 -0.07 -1.07 0.00 0.00 179.97 179.08 1r89 h LEU 35 N 0.40 0.90 -0.90 3.04 3.38 -1.13 -3.18 115.31 117.82 1r89 h LEU 35 Ca 0.00 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 1r89 h LEU 35 Cb 1.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1r89 h LEU 35 CO 0.10 1.25 -0.10 0.44 0.09 0.00 0.00 178.44 180.23 1r89 h ASP 36 N 0.57 0.69 0.90 -0.43 5.19 -0.76 -2.45 116.42 120.12 1r89 h ASP 36 Ca 0.02 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1r89 h ASP 36 Cb 1.08 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.40 1r89 h ASP 36 CO 0.11 0.82 -0.15 1.05 -3.12 0.00 0.00 179.24 177.95 1r89 h GLU 37 N 0.64 0.00 0.00 3.56 4.11 -1.41 -1.49 114.58 119.99 1r89 h GLU 37 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1r89 h GLU 37 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1r89 h GLU 37 CO 0.03 0.15 -0.29 1.28 0.07 0.00 0.00 179.01 180.25 1r89 n LEU 38 N -3.32 0.30 -0.48 3.06 4.77 -0.96 -4.95 117.00 115.43 1r89 n LEU 38 Ca 0.00 0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1r89 n LEU 38 Cb 0.37 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1r89 n LEU 38 CO 0.31 0.07 -0.06 0.61 -1.33 0.00 0.00 177.39 176.99 1r89 n GLY 39 N 1.49 0.65 3.77 -0.72 0.00 -0.56 -5.00 105.19 104.83 1r89 n GLY 39 Ca 0.06 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 1r89 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r89 s VAL 40 N -2.22 4.25 -0.16 1.61 1.01 -1.15 -5.05 120.40 118.69 1r89 s VAL 40 Ca 0.00 1.80 -0.23 0.00 0.00 0.00 0.00 61.98 63.55 1r89 s VAL 40 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1r89 s VAL 40 CO 0.00 0.36 0.72 -0.70 0.00 0.00 0.00 175.10 175.48 1r89 s GLU 41 N -1.55 4.28 0.16 2.72 2.12 -1.26 -4.78 118.70 120.39 1r89 s GLU 41 Ca 0.43 0.82 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 1r89 s GLU 41 Cb -0.22 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.62 1r89 s GLU 41 CO 0.27 -0.23 0.34 1.52 -0.54 0.00 0.00 175.26 176.61 1r89 s TYR 42 N 1.83 0.23 -0.06 5.30 -0.85 -1.26 -1.45 117.35 121.10 1r89 s TYR 42 Ca 0.34 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 56.28 1r89 s TYR 42 Cb -0.16 0.06 0.04 0.00 0.38 0.00 0.00 41.96 42.28 1r89 s TYR 42 CO 0.12 -0.75 0.12 0.54 -1.52 0.00 0.00 175.55 174.06 1r89 s VAL 43 N -3.93 -0.05 0.01 -3.49 0.11 -0.61 -4.94 120.40 107.50 1r89 s VAL 43 Ca 0.14 0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 1r89 s VAL 43 Cb 0.02 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1r89 s VAL 43 CO -0.02 0.08 1.06 -0.36 -3.33 0.00 0.00 175.10 172.53 1r89 s PHE 44 N 1.16 3.55 0.12 1.54 0.40 -1.26 -1.52 117.98 121.97 1r89 s PHE 44 Ca -0.09 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 57.79 1r89 s PHE 44 Cb -0.12 -3.23 -0.00 0.00 0.51 0.00 0.00 43.02 40.17 1r89 s PHE 44 CO -0.05 -0.49 0.02 1.33 0.70 0.00 0.00 175.22 176.73 1r89 n VAL 45 N 4.01 0.00 -3.35 -0.44 0.24 -0.36 -4.82 118.33 113.61 1r89 n VAL 45 Ca 0.07 -0.62 0.01 0.00 -2.04 0.00 0.00 64.34 61.76 1r89 n VAL 45 Cb 0.49 0.18 -0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1r89 n VAL 45 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r89 n GLY 46 N 2.26 -1.91 0.20 7.63 0.00 -1.26 -3.58 105.19 108.54 1r89 n GLY 46 Ca -0.03 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1r89 n GLY 46 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r89 h SER 47 N -0.08 0.00 0.18 1.61 4.64 -1.94 -2.49 113.55 115.49 1r89 h SER 47 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1r89 h SER 47 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1r89 h SER 47 CO 0.00 0.34 -0.09 0.22 -0.87 0.00 0.00 176.83 176.44 1r89 h TYR 48 N 0.00 -0.23 -0.16 4.77 3.20 -1.75 -1.03 116.97 121.77 1r89 h TYR 48 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1r89 h TYR 48 Cb 0.78 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1r89 h TYR 48 CO 0.00 -0.05 0.11 0.00 -1.64 0.00 0.00 178.16 176.58 1r89 h ALA 49 N 0.43 1.89 -0.11 1.82 0.00 -1.51 -2.20 119.26 119.58 1r89 h ALA 49 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1r89 h ALA 49 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r89 h ALA 49 CO 0.04 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1r89 n ARG 50 N -4.51 2.35 -3.18 0.00 1.74 -1.07 -4.97 116.66 107.01 1r89 n ARG 50 Ca -0.01 -2.00 -0.21 0.00 -0.77 0.00 0.00 57.85 54.86 1r89 n ARG 50 Cb 0.08 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 1r89 n ARG 50 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1r89 n ASN 51 N 1.37 -5.91 -0.20 0.55 2.85 -0.61 -4.90 115.26 108.41 1r89 n ASN 51 Ca 0.15 -0.36 0.02 0.00 -0.11 0.00 0.00 54.58 54.28 1r89 n ASN 51 Cb 0.60 -4.65 0.05 0.00 1.24 0.00 0.00 39.78 37.01 1r89 n ASN 51 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1r89 n THR 52 N -4.58 0.98 -2.58 -0.44 -2.24 -0.49 -4.82 114.28 100.11 1r89 n THR 52 Ca -0.06 -0.99 -0.41 0.00 -2.27 0.00 0.00 64.05 60.32 1r89 n THR 52 Cb 0.59 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 1r89 n THR 52 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1r89 s TRP 53 N -0.99 3.70 0.51 4.78 -2.14 -1.16 -4.55 118.94 119.09 1r89 s TRP 53 Ca 0.07 1.71 -0.21 0.00 2.66 0.00 0.00 56.10 60.34 1r89 s TRP 53 Cb 0.04 -3.19 -0.06 0.00 -3.10 0.00 0.00 33.47 27.16 1r89 s TRP 53 CO 0.05 -0.27 1.19 -1.17 -2.66 0.00 0.00 176.95 174.09 1r89 s LEU 54 N -0.73 3.87 -0.06 -4.66 2.96 -1.26 -4.63 118.68 114.16 1r89 s LEU 54 Ca 0.46 2.34 -0.38 0.00 -0.22 0.00 0.00 54.13 56.34 1r89 s LEU 54 Cb -0.28 -4.39 -0.16 0.00 0.50 0.00 0.00 46.19 41.86 1r89 s LEU 54 CO 0.35 -1.18 1.54 1.17 -1.32 0.00 0.00 176.35 176.91 1r89 n LYS 55 N -0.93 1.26 -0.21 1.98 4.81 -0.68 -1.78 118.16 122.61 1r89 n LYS 55 Ca 0.10 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1r89 n LYS 55 Cb 0.49 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.40 1r89 n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r89 n GLY 56 N 3.31 0.80 2.39 3.14 0.00 -1.26 -4.95 105.19 108.62 1r89 n GLY 56 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1r89 n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r89 n SER 57 N 0.00 4.47 -4.66 1.61 7.64 -0.73 -5.04 113.62 116.91 1r89 n SER 57 Ca 0.00 -3.62 -0.43 0.00 1.01 0.00 0.00 58.87 55.83 1r89 n SER 57 Cb 0.00 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.74 1r89 n SER 57 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1r89 s LEU 58 N -3.53 4.20 -0.20 -3.43 2.96 -1.26 -4.68 118.68 112.74 1r89 s LEU 58 Ca 0.47 1.81 -0.19 0.00 -0.22 0.00 0.00 54.13 56.00 1r89 s LEU 58 Cb 0.40 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.61 1r89 s LEU 58 CO -0.12 -0.83 0.54 -0.70 -1.32 0.00 0.00 176.35 173.93 1r89 s GLU 59 N 3.70 0.64 -0.13 1.98 2.12 -1.26 -4.49 118.70 121.27 1r89 s GLU 59 Ca 0.60 0.74 -0.03 0.00 0.36 0.00 0.00 54.97 56.64 1r89 s GLU 59 Cb -0.25 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.43 1r89 s GLU 59 CO 0.19 -0.08 -0.02 0.42 -0.54 0.00 0.00 175.26 175.23 1r89 s ILE 60 N 0.25 4.10 -0.21 -3.70 1.01 -0.39 -4.32 121.20 117.93 1r89 s ILE 60 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1r89 s ILE 60 Cb -0.04 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1r89 s ILE 60 CO 0.01 0.54 -0.06 -1.81 0.00 0.00 0.00 174.94 173.62 1r89 s ASP 61 N -0.17 4.20 -0.09 3.58 1.01 -1.26 -1.38 116.67 122.56 1r89 s ASP 61 Ca 0.04 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.93 1r89 s ASP 61 Cb -0.13 -1.71 -0.00 0.00 1.01 0.00 0.00 42.92 42.08 1r89 s ASP 61 CO 0.02 -0.01 -0.23 -0.69 0.21 0.00 0.00 175.17 174.48 1r89 s VAL 62 N 1.41 2.19 -0.21 -1.27 1.01 -0.06 -1.23 120.40 122.24 1r89 s VAL 62 Ca 0.05 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1r89 s VAL 62 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1r89 s VAL 62 CO -0.04 0.56 0.02 -0.36 0.00 0.00 0.00 175.10 175.28 1r89 s PHE 63 N 0.22 3.06 -0.08 5.22 0.40 -0.58 -1.53 117.98 124.69 1r89 s PHE 63 Ca -0.14 -0.43 -0.28 0.00 -0.60 0.00 0.00 56.93 55.48 1r89 s PHE 63 Cb -0.17 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1r89 s PHE 63 CO 0.07 -0.25 0.91 -0.51 0.70 0.00 0.00 175.22 176.14 1r89 s LEU 64 N 1.13 4.28 -0.34 -0.37 1.43 -0.16 -1.57 118.68 123.08 1r89 s LEU 64 Ca 0.03 1.45 -0.08 0.00 -1.03 0.00 0.00 54.13 54.50 1r89 s LEU 64 Cb -0.14 -3.42 0.03 0.00 0.03 0.00 0.00 46.19 42.69 1r89 s LEU 64 CO 0.02 -0.32 0.12 -0.76 0.23 0.00 0.00 176.35 175.64 1r89 s LEU 65 N 1.53 4.29 0.15 1.79 1.43 -0.53 -1.81 118.68 125.53 1r89 s LEU 65 Ca 0.46 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1r89 s LEU 65 Cb -0.19 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1r89 s LEU 65 CO 0.20 -0.31 0.10 -0.36 0.23 0.00 0.00 176.35 176.22 1r89 s PHE 66 N 1.46 3.11 0.53 0.29 0.40 -0.94 -4.59 117.98 118.24 1r89 s PHE 66 Ca 0.00 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.12 1r89 s PHE 66 Cb -0.19 -1.52 -0.10 0.00 0.51 0.00 0.00 43.02 41.73 1r89 s PHE 66 CO 0.04 0.52 0.54 -2.30 0.70 0.00 0.00 175.22 174.71 1r89 n PRO 67 N -0.14 0.56 0.23 0.24 -0.02 -1.26 -1.19 135.00 133.42 1r89 n PRO 67 Ca -0.09 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 1r89 n PRO 67 Cb 0.54 -1.66 0.49 0.00 -0.02 0.00 0.00 33.50 32.85 1r89 n PRO 67 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1r89 h GLU 68 N 0.42 0.00 -1.13 -0.52 4.81 -1.99 -3.07 114.58 113.10 1r89 h GLU 68 Ca -0.44 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.11 1r89 h GLU 68 Cb 1.40 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.47 1r89 h GLU 68 CO 0.48 0.20 0.66 -1.91 -0.73 0.00 0.00 179.01 177.72 1r89 n GLU 69 N -3.38 2.83 -3.76 1.92 4.07 -1.26 -4.87 120.64 116.20 1r89 n GLU 69 Ca 0.00 -3.46 -0.31 0.00 -0.06 0.00 0.00 57.16 53.33 1r89 n GLU 69 Cb 0.41 -2.28 -0.04 0.00 -0.06 0.00 0.00 31.44 29.46 1r89 n GLU 69 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1r89 s PHE 70 N -3.83 3.49 0.86 4.31 2.99 -1.16 -5.12 117.98 119.52 1r89 s PHE 70 Ca 0.61 0.46 -0.12 0.00 0.00 0.00 0.00 56.93 57.88 1r89 s PHE 70 Cb 0.48 -1.93 0.11 0.00 0.00 0.00 0.00 43.02 41.68 1r89 s PHE 70 CO -0.07 0.49 1.10 0.45 -0.00 0.00 0.00 175.22 177.19 1r89 s SER 71 N -2.43 3.90 0.35 1.36 0.15 -1.26 -4.86 113.70 110.91 1r89 s SER 71 Ca 0.39 1.35 0.10 0.00 0.70 0.00 0.00 55.95 58.49 1r89 s SER 71 Cb -0.12 -2.05 0.63 0.00 -1.71 0.00 0.00 66.02 62.77 1r89 s SER 71 CO 0.25 -2.35 1.79 0.50 1.20 0.00 0.00 173.24 174.63 1r89 h LYS 72 N -1.35 0.10 -0.20 5.44 3.64 -1.99 -1.31 116.57 120.90 1r89 h LYS 72 Ca -0.49 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.70 1r89 h LYS 72 Cb 1.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1r89 h LYS 72 CO 0.57 0.46 -0.48 0.93 -2.27 0.00 0.00 179.45 178.66 1r89 h GLU 73 N 0.09 0.68 -0.21 1.90 5.08 -2.00 -3.09 114.58 117.02 1r89 h GLU 73 Ca 0.01 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1r89 h GLU 73 Cb 0.69 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1r89 h GLU 73 CO 0.05 1.08 -0.16 0.93 -1.00 0.00 0.00 179.01 179.92 1r89 h GLU 74 N 0.37 0.36 -0.07 2.33 5.08 -1.85 -2.10 114.58 118.70 1r89 h GLU 74 Ca -0.00 -0.10 -0.25 0.00 -1.00 0.00 0.00 59.36 58.01 1r89 h GLU 74 Cb 1.09 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.31 1r89 h GLU 74 CO 0.10 0.51 -0.93 1.25 -1.00 0.00 0.00 179.01 178.95 1r89 h LEU 75 N 0.33 0.93 -0.28 1.33 6.46 -1.32 -2.62 115.31 120.14 1r89 h LEU 75 Ca 0.06 -0.68 -0.14 0.00 -0.12 0.00 0.00 57.88 56.99 1r89 h LEU 75 Cb 0.47 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1r89 h LEU 75 CO 0.03 1.49 -0.39 -0.09 -0.62 0.00 0.00 178.44 178.86 1r89 h ARG 76 N 0.46 0.76 0.02 1.25 2.43 -1.45 -0.62 114.38 117.23 1r89 h ARG 76 Ca -0.10 -0.44 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1r89 h ARG 76 Cb 1.57 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1r89 h ARG 76 CO 0.19 1.07 -0.01 0.93 -1.51 0.00 0.00 179.97 180.64 1r89 h GLU 77 N 0.51 -0.02 -0.07 0.20 5.08 -1.45 -2.56 114.58 116.26 1r89 h GLU 77 Ca 0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1r89 h GLU 77 Cb 0.98 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1r89 h GLU 77 CO 0.09 0.44 -0.42 -0.09 -1.00 0.00 0.00 179.01 178.03 1r89 h ARG 78 N -0.50 0.16 -0.50 2.33 9.65 -1.56 -2.22 114.38 121.75 1r89 h ARG 78 Ca -0.00 -0.08 -0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1r89 h ARG 78 Cb 0.47 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1r89 h ARG 78 CO 0.00 0.56 0.07 0.78 2.80 0.00 0.00 179.97 184.18 1r89 h GLY 79 N 1.26 0.90 2.00 2.80 0.00 -1.11 -2.56 103.07 106.36 1r89 h GLY 79 Ca 0.01 -0.61 -0.15 0.00 0.00 0.00 0.00 47.33 46.59 1r89 h GLY 79 CO 0.06 0.56 -0.69 1.41 0.00 0.00 0.00 176.54 177.88 1r89 h LEU 80 N 0.70 0.00 0.24 3.11 3.38 -1.36 -1.47 115.31 119.91 1r89 h LEU 80 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1r89 h LEU 80 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1r89 h LEU 80 CO 0.01 0.69 -0.21 -0.08 0.09 0.00 0.00 178.44 178.95 1r89 h GLU 81 N 0.00 -0.45 -0.34 1.13 4.81 -1.21 -1.54 114.58 116.98 1r89 h GLU 81 Ca -0.01 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1r89 h GLU 81 Cb 1.23 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1r89 h GLU 81 CO 0.09 -0.30 0.10 0.82 -0.73 0.00 0.00 179.01 178.99 1r89 h ILE 82 N -0.47 1.21 -0.53 2.32 2.04 -1.45 -2.34 117.51 118.29 1r89 h ILE 82 Ca -0.01 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.25 1r89 h ILE 82 Cb 0.43 1.03 -0.11 0.00 -0.74 0.00 0.00 36.82 37.42 1r89 h ILE 82 CO -0.03 0.24 -0.21 1.23 0.00 0.00 0.00 178.15 179.38 1r89 h GLY 83 N 0.40 0.19 1.68 5.37 0.00 -1.14 0.05 103.07 109.62 1r89 h GLY 83 Ca 0.11 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1r89 h GLY 83 CO -0.00 -0.22 -0.03 0.50 0.00 0.00 0.00 176.54 176.79 1r89 h LYS 84 N -0.09 0.40 0.00 4.80 1.57 -1.18 -3.20 116.57 118.87 1r89 h LYS 84 Ca 0.25 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1r89 h LYS 84 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1r89 h LYS 84 CO -0.59 0.46 -0.49 0.00 -0.57 0.00 0.00 179.45 178.25 1r89 h ALA 85 N 1.58 1.14 -0.01 3.86 0.00 -0.42 -3.33 119.26 122.08 1r89 h ALA 85 Ca 0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1r89 h ALA 85 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1r89 h ALA 85 CO 0.01 0.62 -0.36 0.28 0.00 0.00 0.00 179.25 179.80 1r89 n VAL 86 N -3.88 0.00 -4.04 0.00 0.31 -1.02 -4.97 118.33 104.72 1r89 n VAL 86 Ca -0.01 -0.32 -0.33 0.00 -0.01 0.00 0.00 64.34 63.67 1r89 n VAL 86 Cb 0.52 1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 34.50 1r89 n VAL 86 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r89 s LEU 87 N -2.03 4.03 0.07 7.52 1.43 -1.22 -4.93 118.68 123.55 1r89 s LEU 87 Ca 0.09 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.19 1r89 s LEU 87 Cb 0.10 -2.39 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 1r89 s LEU 87 CO 0.38 0.26 1.49 0.44 0.23 0.00 0.00 176.35 179.15 1r89 h ASP 88 N 3.95 0.41 -4.25 2.29 3.32 -1.18 -3.43 116.42 117.52 1r89 h ASP 88 Ca -0.49 -0.34 -0.31 0.00 0.02 0.00 0.00 57.03 55.92 1r89 h ASP 88 Cb 1.18 -0.11 -0.16 0.00 0.22 0.00 0.00 39.33 40.46 1r89 h ASP 88 CO 0.65 0.65 -0.72 -0.94 -1.72 0.00 0.00 179.24 177.15 1r89 s SER 89 N -5.96 1.54 0.09 6.45 1.04 -1.26 -5.01 113.70 110.60 1r89 s SER 89 Ca -0.14 -0.93 -0.16 0.00 0.48 0.00 0.00 55.95 55.21 1r89 s SER 89 Cb 0.07 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1r89 s SER 89 CO 0.74 -0.32 0.37 -0.72 0.98 0.00 0.00 173.24 174.29 1r89 s TYR 90 N -3.00 -0.17 -0.01 5.02 -0.85 -1.26 -2.76 117.35 114.32 1r89 s TYR 90 Ca 0.11 -0.06 0.01 0.00 -0.52 0.00 0.00 57.07 56.61 1r89 s TYR 90 Cb 0.01 0.20 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1r89 s TYR 90 CO -0.01 -0.63 -0.04 -1.21 -1.52 0.00 0.00 175.55 172.15 1r89 s GLU 91 N -3.31 0.36 -0.56 -3.49 2.02 0.26 -4.99 118.70 108.98 1r89 s GLU 91 Ca 0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1r89 s GLU 91 Cb 0.01 -0.37 0.04 0.00 0.10 0.00 0.00 34.13 33.91 1r89 s GLU 91 CO -0.08 0.05 1.00 0.42 0.02 0.00 0.00 175.26 176.67 1r89 s ILE 92 N 0.12 4.30 0.52 -1.63 1.09 -1.26 -1.68 121.20 122.67 1r89 s ILE 92 Ca -0.01 0.41 0.06 0.00 -1.10 0.00 0.00 60.65 60.01 1r89 s ILE 92 Cb -0.04 -4.59 0.05 0.00 -1.06 0.00 0.00 42.46 36.82 1r89 s ILE 92 CO -0.00 -1.18 0.72 -0.13 -0.10 0.00 0.00 174.94 174.25 1r89 s ARG 93 N 4.20 2.49 -0.06 2.79 0.52 -0.59 -4.96 118.95 123.34 1r89 s ARG 93 Ca 0.33 -1.24 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1r89 s ARG 93 Cb -0.11 -2.62 0.04 0.00 0.52 0.00 0.00 34.95 32.77 1r89 s ARG 93 CO 0.20 -0.66 0.12 0.71 0.02 0.00 0.00 175.30 175.69 1r89 s TYR 94 N -2.61 -0.12 0.00 -0.53 1.51 -1.26 -2.30 117.35 112.04 1r89 s TYR 94 Ca 0.59 0.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.05 1r89 s TYR 94 Cb -0.08 -0.14 0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1r89 s TYR 94 CO 0.37 -0.16 0.00 0.00 -1.11 0.00 0.00 175.55 174.66 1r89 n ALA 95 N 4.28 2.96 0.02 3.71 0.00 -1.26 -4.99 120.51 125.23 1r89 n ALA 95 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1r89 n ALA 95 Cb 0.51 0.47 0.00 0.00 0.00 0.00 0.00 19.45 20.43 1r89 n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1r89 n GLU 96 N -2.95 0.00 -4.43 0.00 0.00 -1.26 -5.10 120.64 106.90 1r89 n GLU 96 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 56.90 1r89 n GLU 96 Cb 0.47 -0.18 -0.09 0.00 0.00 0.00 0.00 31.44 31.63 1r89 n GLU 96 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1r89 s HIS 97 N -2.00 2.51 0.58 -1.84 3.76 -1.26 -5.12 115.29 111.92 1r89 s HIS 97 Ca 0.00 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.19 1r89 s HIS 97 Cb 0.00 -1.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 1r89 s HIS 97 CO 0.00 0.46 1.21 -2.14 -0.85 0.00 0.00 174.74 173.42 1r89 s PRO 98 N -3.71 3.05 0.34 8.40 0.02 -1.26 -4.69 135.00 137.14 1r89 s PRO 98 Ca 0.35 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1r89 s PRO 98 Cb 0.03 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.56 1r89 s PRO 98 CO 0.19 -1.15 0.40 1.52 -0.33 0.00 0.00 177.00 177.62 1r89 s TYR 99 N -1.58 1.37 -0.14 6.54 -0.85 -0.97 -4.63 117.35 117.08 1r89 s TYR 99 Ca 0.76 -1.46 -0.01 0.00 -0.52 0.00 0.00 57.07 55.84 1r89 s TYR 99 Cb -0.31 -0.35 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 1r89 s TYR 99 CO 0.34 -1.03 -0.12 0.08 -1.52 0.00 0.00 175.55 173.29 1r89 s VAL 100 N -3.18 3.08 0.01 -3.49 1.01 -0.57 -1.55 120.40 115.71 1r89 s VAL 100 Ca 0.35 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1r89 s VAL 100 Cb 0.01 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1r89 s VAL 100 CO 0.24 0.51 -0.04 -2.28 0.00 0.00 0.00 175.10 173.53 1r89 s HIS 101 N 0.47 2.95 0.00 5.22 2.46 -0.67 -0.81 115.29 124.91 1r89 s HIS 101 Ca -0.09 -0.00 0.00 0.00 0.47 0.00 0.00 55.06 55.44 1r89 s HIS 101 Cb -0.16 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.68 1r89 s HIS 101 CO 0.04 0.41 0.00 0.41 -2.47 0.00 0.00 174.74 173.14 1r89 n GLY 102 N 1.41 2.25 2.96 1.59 0.00 -0.35 -0.57 105.19 112.47 1r89 n GLY 102 Ca -0.15 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 1r89 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r89 s VAL 103 N -1.84 0.41 -0.09 1.61 1.01 -1.11 -0.70 120.40 119.70 1r89 s VAL 103 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1r89 s VAL 103 Cb 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.06 1r89 s VAL 103 CO 0.00 0.08 0.03 -0.69 0.00 0.00 0.00 175.10 174.53 1r89 s VAL 104 N -0.20 0.19 -1.44 2.92 1.01 -0.12 -0.57 120.40 122.19 1r89 s VAL 104 Ca 0.01 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1r89 s VAL 104 Cb -0.02 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.90 1r89 s VAL 104 CO -0.00 0.11 0.54 0.29 0.00 0.00 0.00 175.10 176.04 1r89 n LYS 105 N 5.20 -3.64 -0.92 2.72 5.02 -1.26 -1.95 118.16 123.32 1r89 n LYS 105 Ca -0.06 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1r89 n LYS 105 Cb 0.50 -4.75 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1r89 n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r89 n GLY 106 N -1.84 0.92 3.40 0.72 0.00 -1.26 -4.80 105.19 102.34 1r89 n GLY 106 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 1r89 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r89 s VAL 107 N -3.68 3.11 0.32 1.61 1.01 -0.82 -5.09 120.40 116.86 1r89 s VAL 107 Ca 0.00 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1r89 s VAL 107 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1r89 s VAL 107 CO 0.00 0.54 1.22 -1.61 0.00 0.00 0.00 175.10 175.24 1r89 s GLU 108 N 0.11 4.43 -0.03 2.72 2.02 -1.26 -0.95 118.70 125.74 1r89 s GLU 108 Ca -0.06 2.03 -0.02 0.00 0.02 0.00 0.00 54.97 56.94 1r89 s GLU 108 Cb -0.15 -3.07 0.01 0.00 0.10 0.00 0.00 34.13 31.02 1r89 s GLU 108 CO 0.04 -0.05 0.08 0.08 0.02 0.00 0.00 175.26 175.43 1r89 s VAL 109 N -1.18 -0.01 -0.10 2.63 1.01 0.13 -1.27 120.40 121.61 1r89 s VAL 109 Ca 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1r89 s VAL 109 Cb -0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1r89 s VAL 109 CO 0.47 0.01 -0.05 -1.81 0.00 0.00 0.00 175.10 173.72 1r89 s ASP 110 N 0.23 4.72 -0.16 3.32 1.01 -0.48 -1.22 116.67 124.10 1r89 s ASP 110 Ca -0.02 -0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.20 1r89 s ASP 110 Cb -0.03 -1.44 0.01 0.00 1.01 0.00 0.00 42.92 42.48 1r89 s ASP 110 CO -0.01 0.29 -0.20 -0.69 0.21 0.00 0.00 175.17 174.77 1r89 s VAL 111 N -0.34 2.14 -0.11 -1.27 1.01 0.01 -0.88 120.40 120.96 1r89 s VAL 111 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1r89 s VAL 111 Cb -0.12 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1r89 s VAL 111 CO 0.02 0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 174.87 1r89 s VAL 112 N 1.00 1.19 0.07 2.92 1.01 -0.58 -1.51 120.40 124.50 1r89 s VAL 112 Ca -0.02 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1r89 s VAL 112 Cb -0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1r89 s VAL 112 CO -0.06 0.39 1.07 -2.16 0.00 0.00 0.00 175.10 174.35 1r89 s PRO 113 N 1.34 4.54 0.30 2.72 0.04 -1.26 -0.99 135.00 141.69 1r89 s PRO 113 Ca -0.01 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 1r89 s PRO 113 Cb -0.14 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1r89 s PRO 113 CO -0.05 -0.06 0.48 0.00 0.04 0.00 0.00 177.00 177.41 1r89 s TYR 115 N -3.44 3.85 -0.41 0.00 1.51 -1.26 -2.21 117.35 115.38 1r89 s TYR 115 Ca 0.27 1.57 -0.28 0.00 -1.01 0.00 0.00 57.07 57.62 1r89 s TYR 115 Cb -0.00 -2.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.09 1r89 s TYR 115 CO 0.15 0.43 1.08 0.21 -1.11 0.00 0.00 175.55 176.31 1r89 s LYS 116 N -0.77 3.83 -0.09 -0.62 2.20 -0.33 -4.73 119.74 119.24 1r89 s LYS 116 Ca 0.37 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.70 1r89 s LYS 116 Cb -0.22 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.26 1r89 s LYS 116 CO 0.25 -1.17 -0.17 -0.51 -0.36 0.00 0.00 175.35 173.39 1r89 s LEU 117 N 4.04 1.80 -0.48 5.43 1.43 -1.26 -4.42 118.68 125.22 1r89 s LEU 117 Ca 0.45 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 1r89 s LEU 117 Cb -0.09 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1r89 s LEU 117 CO 0.25 0.07 1.01 -0.54 0.23 0.00 0.00 176.35 177.37 1r89 s LYS 118 N 0.64 3.57 0.11 1.70 -0.14 -1.26 -4.75 119.74 119.61 1r89 s LYS 118 Ca -0.14 0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.73 1r89 s LYS 118 Cb -0.16 -3.94 0.00 0.00 -1.68 0.00 0.00 37.83 32.05 1r89 s LYS 118 CO 0.04 -1.33 0.00 0.39 -0.76 0.00 0.00 175.35 173.69 1r89 n GLU 119 N 7.49 -1.02 0.00 1.68 1.02 -1.26 -5.03 120.64 123.52 1r89 n GLU 119 Ca 0.08 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 1r89 n GLU 119 Cb 0.49 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1r89 n GLU 119 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1r89 n PRO 120 N -0.91 2.38 -0.59 3.49 -0.04 -1.26 -4.45 135.00 133.62 1r89 n PRO 120 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1r89 n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1r89 n PRO 120 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r89 n LYS 121 N 0.00 0.00 -0.31 0.54 4.76 -1.26 -4.71 118.16 117.18 1r89 n LYS 121 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1r89 n LYS 121 Cb 0.00 -3.66 0.20 0.00 -1.84 0.00 0.00 35.03 29.73 1r89 n LYS 121 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1r89 n ASN 122 N 0.00 3.36 -4.77 4.39 5.15 -1.26 -5.05 115.26 117.08 1r89 n ASN 122 Ca 0.00 -2.61 -0.37 0.00 -0.60 0.00 0.00 54.58 50.99 1r89 n ASN 122 Cb 0.00 -0.40 -0.00 0.00 -0.53 0.00 0.00 39.78 38.85 1r89 n ASN 122 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1r89 s ILE 123 N -2.10 2.95 -0.11 -1.44 -4.36 -1.26 -4.99 121.20 109.89 1r89 s ILE 123 Ca 0.33 0.73 -0.07 0.00 -0.26 0.00 0.00 60.65 61.38 1r89 s ILE 123 Cb 0.24 -3.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.52 1r89 s ILE 123 CO 0.10 0.01 -0.18 1.17 0.24 0.00 0.00 174.94 176.29 1r89 n LYS 124 N -0.45 0.28 -2.15 0.37 4.81 -1.26 -5.09 118.16 114.67 1r89 n LYS 124 Ca 0.07 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.62 1r89 n LYS 124 Cb 0.47 -0.98 -0.00 0.00 0.02 0.00 0.00 35.03 34.54 1r89 n LYS 124 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1r89 n SER 125 N -3.70 0.37 0.06 3.14 3.41 -1.26 -5.03 113.62 110.60 1r89 n SER 125 Ca -0.22 -1.14 0.07 0.00 -0.26 0.00 0.00 58.87 57.32 1r89 n SER 125 Cb 0.59 0.09 0.51 0.00 -0.26 0.00 0.00 64.21 65.13 1r89 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r89 h ALA 126 N 1.06 1.87 -0.21 7.33 0.00 -2.00 -3.00 119.26 124.31 1r89 h ALA 126 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1r89 h ALA 126 Cb 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1r89 h ALA 126 CO 0.03 0.10 -0.23 0.28 0.00 0.00 0.00 179.25 179.42 1r89 h VAL 127 N 0.36 0.42 0.00 0.00 2.07 -1.96 -2.38 116.25 114.76 1r89 h VAL 127 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1r89 h VAL 127 Cb 0.09 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1r89 h VAL 127 CO -0.03 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.03 1r89 n ASP 128 N -5.37 0.79 0.14 0.57 8.00 -1.14 -2.54 116.55 117.02 1r89 n ASP 128 Ca -0.01 0.62 -0.01 0.00 0.71 0.00 0.00 54.79 56.10 1r89 n ASP 128 Cb 0.28 -0.82 0.19 0.00 -0.02 0.00 0.00 41.12 40.75 1r89 n ASP 128 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1r89 h ARG 129 N 0.00 0.01 -0.46 -1.24 2.43 -1.43 -3.39 114.38 110.30 1r89 h ARG 129 Ca 0.00 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1r89 h ARG 129 Cb 0.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1r89 h ARG 129 CO 0.00 0.59 -0.14 1.15 -1.51 0.00 0.00 179.97 180.06 1r89 h THR 130 N 0.00 1.26 -0.54 0.20 2.02 -1.32 -1.16 112.91 113.38 1r89 h THR 130 Ca -0.01 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 65.93 1r89 h THR 130 Cb 1.04 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1r89 h THR 130 CO 0.08 0.43 0.36 -0.65 0.37 0.00 0.00 175.52 176.11 1r89 h PRO 131 N 0.77 0.70 0.00 6.66 0.11 -1.78 -2.32 132.00 136.15 1r89 h PRO 131 Ca 0.12 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 1r89 h PRO 131 Cb 0.66 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1r89 h PRO 131 CO 0.05 0.47 -0.54 0.74 -0.21 0.00 0.00 178.00 178.50 1r89 h PHE 132 N 0.73 0.00 -0.12 0.65 -1.00 -1.47 -1.68 116.94 114.04 1r89 h PHE 132 Ca 0.20 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.98 1r89 h PHE 132 Cb -0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1r89 h PHE 132 CO -0.00 0.54 0.07 0.45 -1.61 0.00 0.00 178.31 177.76 1r89 h HIS 133 N 0.00 0.17 -0.36 -0.55 3.86 -0.80 -1.21 115.15 116.25 1r89 h HIS 133 Ca -0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1r89 h HIS 133 Cb 1.01 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 1r89 h HIS 133 CO 0.00 0.16 0.13 1.25 0.86 0.00 0.00 177.93 180.34 1r89 h HIS 134 N 0.12 0.56 -0.61 2.45 -0.00 -1.39 -2.43 115.15 113.86 1r89 h HIS 134 Ca 0.04 -0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.45 1r89 h HIS 134 Cb 0.05 -0.17 -0.07 0.00 -0.00 0.00 0.00 27.41 27.22 1r89 h HIS 134 CO -0.05 0.53 0.25 -0.22 -0.00 0.00 0.00 177.93 178.44 1r89 h LYS 135 N 0.44 0.44 -0.52 5.26 3.64 -1.21 0.15 116.57 124.77 1r89 h LYS 135 Ca 0.12 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1r89 h LYS 135 Cb 0.21 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1r89 h LYS 135 CO -0.01 0.29 0.01 2.35 -2.27 0.00 0.00 179.45 179.82 1r89 h TRP 136 N 0.45 1.00 0.00 1.91 7.01 -1.03 -3.20 115.95 122.09 1r89 h TRP 136 Ca 0.30 -0.17 -0.21 0.00 2.11 0.00 0.00 58.89 60.92 1r89 h TRP 136 Cb 0.34 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1r89 h TRP 136 CO -0.15 0.92 -1.13 -0.07 -2.79 0.00 0.00 178.44 175.23 1r89 h LEU 137 N 0.79 0.00 -9.22 0.65 3.38 -1.10 -3.40 115.31 106.41 1r89 h LEU 137 Ca 0.15 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.57 1r89 h LEU 137 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1r89 h LEU 137 CO 0.03 0.90 1.33 -0.70 0.09 0.00 0.00 178.44 180.09 1r89 s GLU 138 N -2.73 3.77 0.00 1.13 2.12 0.51 -1.20 118.70 122.31 1r89 s GLU 138 Ca -0.00 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1r89 s GLU 138 Cb 0.09 -4.24 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1r89 s GLU 138 CO 0.81 -1.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.57 1r89 n GLY 139 N 4.98 2.96 0.08 -1.50 0.00 -1.26 -4.73 105.19 105.72 1r89 n GLY 139 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 1r89 n GLY 139 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r89 h ARG 140 N 0.43 0.00 -0.00 1.61 3.08 -1.58 -3.32 114.38 114.60 1r89 h ARG 140 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r89 h ARG 140 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1r89 h ARG 140 CO 0.00 0.91 -0.33 1.51 -1.07 0.00 0.00 179.97 180.98 1r89 n ILE 141 N -3.39 0.00 -1.81 2.04 0.13 -0.34 -4.86 119.36 111.13 1r89 n ILE 141 Ca 0.00 -0.06 -0.42 0.00 -1.10 0.00 0.00 62.75 61.17 1r89 n ILE 141 Cb 0.88 0.25 -0.03 0.00 -0.84 0.00 0.00 39.64 39.90 1r89 n ILE 141 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1r89 s LYS 142 N -2.73 4.16 0.00 9.51 1.02 -1.25 -0.97 119.74 129.47 1r89 s LYS 142 Ca 0.19 2.52 0.00 0.00 0.02 0.00 0.00 55.97 58.70 1r89 s LYS 142 Cb 0.19 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1r89 s LYS 142 CO 0.59 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1r89 n GLY 143 N 3.49 1.23 0.14 -3.33 0.00 -1.26 -4.85 105.19 100.61 1r89 n GLY 143 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1r89 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r89 n LYS 144 N -2.00 2.63 -0.06 1.61 5.02 -0.14 -4.73 118.16 120.48 1r89 n LYS 144 Ca 0.00 -1.54 -0.01 0.00 -2.02 0.00 0.00 58.31 54.74 1r89 n LYS 144 Cb 0.00 -1.06 0.26 0.00 -0.02 0.00 0.00 35.03 34.21 1r89 n LYS 144 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1r89 h GLU 145 N 0.47 0.67 0.00 1.97 9.09 -1.88 -1.87 114.58 123.03 1r89 h GLU 145 Ca 0.00 -0.13 -0.10 0.00 0.05 0.00 0.00 59.36 59.18 1r89 h GLU 145 Cb 0.51 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1r89 h GLU 145 CO 0.00 0.63 -0.49 -0.91 0.05 0.00 0.00 179.01 178.29 1r89 h ASN 146 N 0.65 0.00 -0.79 3.06 2.35 -1.87 -2.05 115.58 116.93 1r89 h ASN 146 Ca 0.15 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1r89 h ASN 146 Cb 0.28 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.61 1r89 h ASN 146 CO 0.00 0.49 0.53 -0.33 -1.65 0.00 0.00 177.43 176.47 1r89 h GLU 147 N 0.00 1.04 -0.52 0.81 4.39 -1.70 -0.92 114.58 117.69 1r89 h GLU 147 Ca -0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 1r89 h GLU 147 Cb 1.11 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1r89 h GLU 147 CO 0.06 0.69 0.22 0.28 -1.16 0.00 0.00 179.01 179.10 1r89 h VAL 148 N 1.08 1.21 -0.26 3.13 2.07 -0.83 -2.17 116.25 120.48 1r89 h VAL 148 Ca 0.29 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1r89 h VAL 148 Cb -0.12 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1r89 h VAL 148 CO -0.06 0.24 -0.31 0.03 0.02 0.00 0.00 177.57 177.49 1r89 h ARG 149 N 0.69 0.55 -0.10 1.57 3.08 -1.16 0.02 114.38 119.03 1r89 h ARG 149 Ca 0.17 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1r89 h ARG 149 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1r89 h ARG 149 CO -0.02 0.80 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.56 1r89 h LEU 150 N 0.47 -0.17 -0.57 3.04 3.38 -1.03 -0.03 115.31 120.40 1r89 h LEU 150 Ca 0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1r89 h LEU 150 Cb 0.78 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1r89 h LEU 150 CO 0.06 -0.07 0.27 0.25 0.09 0.00 0.00 178.44 179.05 1r89 h LEU 151 N -0.04 0.75 -0.50 1.67 5.85 -0.87 -0.72 115.31 121.44 1r89 h LEU 151 Ca 0.06 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1r89 h LEU 151 Cb 0.13 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1r89 h LEU 151 CO -0.13 0.67 0.21 0.11 -0.34 0.00 0.00 178.44 178.97 1r89 h LYS 152 N 0.78 0.75 -0.23 1.25 1.57 -0.83 -1.87 116.57 117.99 1r89 h LYS 152 Ca 0.20 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1r89 h LYS 152 Cb 0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1r89 h LYS 152 CO -0.02 0.65 -0.39 0.78 -0.57 0.00 0.00 179.45 179.90 1r89 h GLY 153 N 0.67 0.57 0.93 3.86 0.00 -0.73 0.14 103.07 108.51 1r89 h GLY 153 Ca 0.17 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1r89 h GLY 153 CO -0.02 0.50 0.09 -2.75 0.00 0.00 0.00 176.54 174.37 1r89 h PHE 154 N 0.44 0.26 -0.58 5.60 3.57 -0.99 -1.11 116.94 124.13 1r89 h PHE 154 Ca 0.04 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1r89 h PHE 154 Cb 0.87 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1r89 h PHE 154 CO 0.03 0.26 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.25 1r89 h LEU 155 N 0.18 1.06 -0.45 0.59 3.38 -1.02 -2.99 115.31 116.05 1r89 h LEU 155 Ca 0.06 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1r89 h LEU 155 Cb 0.10 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1r89 h LEU 155 CO -0.01 1.13 0.06 0.50 0.09 0.00 0.00 178.44 180.21 1r89 h LYS 156 N 0.96 0.76 0.00 1.13 1.63 -0.58 -0.10 116.57 120.37 1r89 h LYS 156 Ca 0.16 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1r89 h LYS 156 Cb 0.62 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1r89 h LYS 156 CO 0.04 0.79 -0.07 0.00 -3.45 0.00 0.00 179.45 176.76 1r89 h ALA 157 N 0.94 1.36 -0.50 5.00 0.00 -1.19 -2.38 119.26 122.49 1r89 h ALA 157 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1r89 h ALA 157 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r89 h ALA 157 CO 0.01 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.44 1r89 n ASN 158 N -3.69 3.60 -0.11 0.00 3.02 -0.88 -4.18 115.26 113.01 1r89 n ASN 158 Ca -0.02 -2.16 -0.01 0.00 -0.03 0.00 0.00 54.58 52.35 1r89 n ASN 158 Cb 0.17 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1r89 n ASN 158 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r89 n GLY 159 N 0.83 0.50 0.33 7.41 0.00 -0.50 -4.92 105.19 108.85 1r89 n GLY 159 Ca 0.18 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.38 1r89 n GLY 159 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r89 n ILE 160 N -2.95 1.35 -3.36 -0.61 -5.35 -0.17 -4.95 119.36 103.33 1r89 n ILE 160 Ca -0.01 -1.76 -0.39 0.00 -0.27 0.00 0.00 62.75 60.33 1r89 n ILE 160 Cb 0.05 0.02 -0.08 0.00 -1.74 0.00 0.00 39.64 37.89 1r89 n ILE 160 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1r89 s TYR 161 N -2.04 3.35 0.00 4.28 5.04 -1.19 -0.97 117.35 125.82 1r89 s TYR 161 Ca 0.25 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1r89 s TYR 161 Cb 0.23 -2.57 0.00 0.00 0.35 0.00 0.00 41.96 39.97 1r89 s TYR 161 CO -0.00 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 174.55 1r89 n GLY 162 N 4.05 3.75 0.79 8.97 0.00 0.92 -4.80 105.19 118.88 1r89 n GLY 162 Ca -0.08 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.65 1r89 n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r89 n ALA 163 N -0.11 2.50 -1.45 4.61 0.00 -1.26 -0.71 120.51 124.09 1r89 n ALA 163 Ca 0.00 -0.61 -0.33 0.00 0.00 0.00 0.00 53.44 52.50 1r89 n ALA 163 Cb 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1r89 n ALA 163 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1r89 s GLU 164 N -1.98 2.65 0.44 0.00 1.03 -1.26 -4.52 118.70 115.07 1r89 s GLU 164 Ca 0.32 1.34 0.16 0.00 0.03 0.00 0.00 54.97 56.82 1r89 s GLU 164 Cb 0.20 -1.94 1.01 0.00 -0.80 0.00 0.00 34.13 32.61 1r89 s GLU 164 CO 0.31 -1.36 1.97 -0.92 -1.33 0.00 0.00 175.26 173.93 1r89 h TYR 165 N -0.26 0.00 -0.01 4.83 3.20 -1.91 0.14 116.97 122.96 1r89 h TYR 165 Ca -0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.41 1r89 h TYR 165 Cb 1.24 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.51 1r89 h TYR 165 CO 0.55 0.21 0.01 -0.22 -1.64 0.00 0.00 178.16 177.08 1r89 h LYS 166 N 0.00 0.00 0.00 1.82 3.64 -1.91 -3.33 116.57 116.79 1r89 h LYS 166 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1r89 h LYS 166 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1r89 h LYS 166 CO 0.03 0.00 -1.67 0.28 -2.27 0.00 0.00 179.45 175.82 1r89 n VAL 167 N -4.02 0.66 -3.78 2.00 0.31 -0.19 -5.04 118.33 108.27 1r89 n VAL 167 Ca -0.03 -0.21 -0.23 0.00 -0.01 0.00 0.00 64.34 63.86 1r89 n VAL 167 Cb 0.10 -1.25 0.02 0.00 -0.91 0.00 0.00 33.84 31.79 1r89 n VAL 167 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1r89 n ARG 168 N -3.16 -4.30 0.00 5.55 1.74 0.32 -4.91 116.66 111.90 1r89 n ARG 168 Ca -0.22 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1r89 n ARG 168 Cb 0.69 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 1r89 n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r89 n GLY 169 N -1.71 5.07 3.70 -0.13 0.00 0.11 -1.44 105.19 110.80 1r89 n GLY 169 Ca -0.30 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1r89 n GLY 169 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r89 s PHE 170 N 3.24 3.40 0.72 1.61 0.40 -0.14 -3.87 117.98 123.34 1r89 s PHE 170 Ca 0.00 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1r89 s PHE 170 Cb 0.00 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.21 1r89 s PHE 170 CO 0.00 0.15 1.07 -1.54 0.70 0.00 0.00 175.22 175.60 1r89 s SER 171 N 0.71 5.23 0.14 1.36 1.04 -1.26 -0.05 113.70 120.87 1r89 s SER 171 Ca 0.14 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 57.81 1r89 s SER 171 Cb -0.13 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 1r89 s SER 171 CO 0.04 -1.51 1.79 1.23 0.98 0.00 0.00 173.24 175.77 1r89 h GLY 172 N -0.77 0.45 0.88 7.32 0.00 -1.98 -2.04 103.07 106.93 1r89 h GLY 172 Ca -0.45 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 46.76 1r89 h GLY 172 CO 0.59 0.14 0.49 -1.82 0.00 0.00 0.00 176.54 175.94 1r89 h TYR 173 N 0.40 0.92 -0.55 5.60 3.20 -1.98 -1.84 116.97 122.72 1r89 h TYR 173 Ca 0.12 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.05 1r89 h TYR 173 Cb -0.01 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.91 1r89 h TYR 173 CO -0.07 0.53 0.32 1.25 -1.64 0.00 0.00 178.16 178.55 1r89 h LEU 174 N 0.96 0.51 -0.90 2.82 5.85 -1.82 -1.20 115.31 121.53 1r89 h LEU 174 Ca 0.31 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1r89 h LEU 174 Cb 0.01 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1r89 h LEU 174 CO -0.11 0.35 0.58 0.00 -0.34 0.00 0.00 178.44 178.92 1r89 h GLU 176 N 1.10 0.83 -0.99 0.00 5.08 -1.09 -2.14 114.58 117.37 1r89 h GLU 176 Ca 0.36 -0.56 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1r89 h GLU 176 Cb 0.04 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1r89 h GLU 176 CO -0.13 1.19 0.66 -0.07 -1.00 0.00 0.00 179.01 179.66 1r89 h LEU 177 N 0.59 1.14 -0.57 1.33 3.38 -0.91 -1.56 115.31 118.71 1r89 h LEU 177 Ca -0.00 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1r89 h LEU 177 Cb 1.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1r89 h LEU 177 CO 0.13 0.82 0.21 -0.07 0.09 0.00 0.00 178.44 179.63 1r89 h LEU 178 N 1.34 0.80 -0.67 1.67 3.38 -1.03 -0.57 115.31 120.23 1r89 h LEU 178 Ca 0.36 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1r89 h LEU 178 Cb -0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1r89 h LEU 178 CO -0.08 0.76 0.27 0.40 0.09 0.00 0.00 178.44 179.89 1r89 h ILE 179 N 0.79 1.24 -0.73 1.22 1.08 -1.13 -0.70 117.51 119.28 1r89 h ILE 179 Ca 0.19 -0.74 -0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1r89 h ILE 179 Cb 0.22 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 1r89 h ILE 179 CO -0.01 0.30 0.33 0.58 -0.69 0.00 0.00 178.15 178.65 1r89 h VAL 180 N 0.95 1.24 -0.26 1.67 2.07 -1.01 0.67 116.25 121.57 1r89 h VAL 180 Ca 0.22 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1r89 h VAL 180 Cb 0.20 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1r89 h VAL 180 CO -0.02 0.29 -0.19 0.15 0.02 0.00 0.00 177.57 177.83 1r89 h PHE 181 N 1.03 0.69 0.00 1.57 3.57 -0.73 -3.31 116.94 119.76 1r89 h PHE 181 Ca 0.25 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1r89 h PHE 181 Cb 0.15 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1r89 h PHE 181 CO 0.01 0.87 -1.79 0.66 -2.23 0.00 0.00 178.31 175.84 1r89 n TYR 182 N -4.39 0.07 0.00 0.41 4.01 -0.30 -5.00 117.16 111.95 1r89 n TYR 182 Ca -0.04 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1r89 n TYR 182 Cb 0.40 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1r89 n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r89 n GLY 183 N 1.29 3.28 3.68 2.72 0.00 0.23 -4.73 105.19 111.65 1r89 n GLY 183 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1r89 n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r89 s SER 184 N -0.49 -0.38 0.14 1.61 1.04 -1.24 -4.91 113.70 109.47 1r89 s SER 184 Ca 0.00 -0.35 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 1r89 s SER 184 Cb 0.00 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 1r89 s SER 184 CO 0.00 -1.17 1.77 0.15 0.98 0.00 0.00 173.24 174.97 1r89 h PHE 185 N 2.00 0.28 -0.65 5.02 3.04 -1.93 -2.11 116.94 122.60 1r89 h PHE 185 Ca -0.25 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.68 1r89 h PHE 185 Cb 1.27 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.67 1r89 h PHE 185 CO 0.35 0.16 0.30 1.25 -2.02 0.00 0.00 178.31 178.35 1r89 h LEU 186 N 0.31 0.86 -0.85 0.59 5.85 -1.96 -0.74 115.31 119.37 1r89 h LEU 186 Ca 0.11 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1r89 h LEU 186 Cb 0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1r89 h LEU 186 CO -0.07 0.76 -0.54 -0.08 -0.34 0.00 0.00 178.44 178.17 1r89 h GLU 187 N 0.90 0.10 -0.10 1.25 4.57 -1.85 -0.97 114.58 118.48 1r89 h GLU 187 Ca 0.22 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1r89 h GLU 187 Cb 0.14 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1r89 h GLU 187 CO -0.03 0.61 0.01 1.15 -1.18 0.00 0.00 179.01 179.58 1r89 h THR 188 N 0.08 1.23 -0.39 0.32 2.02 -0.72 -2.05 112.91 113.40 1r89 h THR 188 Ca -0.00 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 1r89 h THR 188 Cb 0.97 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1r89 h THR 188 CO 0.08 0.21 0.15 0.58 0.37 0.00 0.00 175.52 176.90 1r89 h VAL 189 N -0.09 1.20 -0.88 3.16 2.07 -0.98 0.41 116.25 121.15 1r89 h VAL 189 Ca 0.03 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1r89 h VAL 189 Cb 0.32 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1r89 h VAL 189 CO 0.00 0.23 0.57 0.11 0.02 0.00 0.00 177.57 178.50 1r89 h LYS 190 N 0.49 1.10 0.04 1.57 1.57 -1.18 -3.02 116.57 117.13 1r89 h LYS 190 Ca 0.13 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 1r89 h LYS 190 Cb 0.21 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1r89 h LYS 190 CO -0.01 0.72 -1.07 -0.91 -0.57 0.00 0.00 179.45 177.62 1r89 h ASN 191 N 1.13 0.15 0.42 0.86 2.35 -1.17 -3.23 115.58 116.09 1r89 h ASN 191 Ca 0.34 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1r89 h ASN 191 Cb -0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1r89 h ASN 191 CO -0.10 1.11 -0.04 0.00 -1.65 0.00 0.00 177.43 176.75 1r89 h ALA 192 N 0.87 1.11 -0.15 -0.83 0.00 -0.80 -2.13 119.26 117.34 1r89 h ALA 192 Ca -0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1r89 h ALA 192 Cb 1.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1r89 h ALA 192 CO 0.15 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.71 1r89 h ARG 193 N 0.00 0.00 -0.24 0.00 3.08 -1.55 -2.22 114.38 113.45 1r89 h ARG 193 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r89 h ARG 193 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1r89 h ARG 193 CO 0.01 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.45 1r89 n ARG 194 N -3.44 2.13 -1.94 0.04 1.74 -0.80 -4.97 116.66 109.41 1r89 n ARG 194 Ca 0.01 -1.77 -0.38 0.00 -0.77 0.00 0.00 57.85 54.94 1r89 n ARG 194 Cb 0.36 -1.25 0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1r89 n ARG 194 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1r89 s TRP 195 N -0.98 2.50 0.41 -1.55 0.51 -0.84 -5.05 118.94 113.96 1r89 s TRP 195 Ca 0.20 1.42 0.03 0.00 -2.12 0.00 0.00 56.10 55.63 1r89 s TRP 195 Cb 0.11 -3.67 -0.03 0.00 -0.81 0.00 0.00 33.47 29.07 1r89 s TRP 195 CO 0.15 -2.43 0.08 0.95 -0.51 0.00 0.00 176.95 175.19 1r89 s THR 196 N -1.37 0.93 -1.91 2.01 -4.23 -1.26 -5.02 115.64 104.78 1r89 s THR 196 Ca 0.68 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.39 1r89 s THR 196 Cb -0.37 -2.44 0.53 0.00 1.34 0.00 0.00 72.50 71.56 1r89 s THR 196 CO 0.44 0.00 1.58 -2.11 -0.54 0.00 0.00 174.62 173.99 1r89 n ARG 197 N -0.95 0.57 -0.11 3.99 1.85 -1.26 -2.08 116.66 118.68 1r89 n ARG 197 Ca -0.08 0.02 0.04 0.00 -1.00 0.00 0.00 57.85 56.83 1r89 n ARG 197 Cb 0.66 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.67 1r89 n ARG 197 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1r89 n ARG 198 N -1.04 2.49 -2.34 2.89 1.74 -1.26 -1.11 116.66 118.03 1r89 n ARG 198 Ca 0.14 -1.77 -0.42 0.00 -0.77 0.00 0.00 57.85 55.03 1r89 n ARG 198 Cb 0.08 -1.19 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1r89 n ARG 198 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1r89 s THR 199 N -0.95 3.78 -0.20 0.55 2.01 -0.88 -0.60 115.64 119.34 1r89 s THR 199 Ca 0.16 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.44 1r89 s THR 199 Cb 0.09 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1r89 s THR 199 CO 0.11 0.10 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.31 1r89 s VAL 200 N 1.04 2.40 -0.34 3.82 1.01 -0.04 -1.28 120.40 126.99 1r89 s VAL 200 Ca 0.60 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1r89 s VAL 200 Cb -0.32 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1r89 s VAL 200 CO 0.30 0.42 0.18 -0.63 0.00 0.00 0.00 175.10 175.37 1r89 s ILE 201 N 1.31 4.61 -0.67 2.22 1.01 -0.02 -0.68 121.20 128.97 1r89 s ILE 201 Ca 0.03 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1r89 s ILE 201 Cb -0.14 -3.46 0.17 0.00 0.01 0.00 0.00 42.46 39.04 1r89 s ILE 201 CO -0.09 -0.09 0.50 -0.62 0.00 0.00 0.00 174.94 174.64 1r89 s ASP 202 N 1.59 5.40 0.20 3.58 -1.08 0.56 -0.55 116.67 126.36 1r89 s ASP 202 Ca 0.03 -2.96 -0.13 0.00 -0.52 0.00 0.00 52.55 48.97 1r89 s ASP 202 Cb -0.18 -1.88 0.22 0.00 -1.46 0.00 0.00 42.92 39.62 1r89 s ASP 202 CO 0.07 -0.36 1.67 0.58 0.52 0.00 0.00 175.17 177.65 1r89 h VAL 203 N 5.09 0.55 -0.01 1.11 2.07 -1.79 -1.09 116.25 122.17 1r89 h VAL 203 Ca 0.01 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1r89 h VAL 203 Cb 0.94 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1r89 h VAL 203 CO 0.73 0.02 -0.50 0.00 0.02 0.00 0.00 177.57 177.83 1r89 h ALA 204 N 1.50 1.14 -0.01 1.67 0.00 -1.91 -2.34 119.26 119.31 1r89 h ALA 204 Ca 0.27 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1r89 h ALA 204 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1r89 h ALA 204 CO -0.47 0.63 -0.15 1.63 0.00 0.00 0.00 179.25 180.89 1r89 n LYS 205 N -3.94 1.33 -2.16 0.00 5.02 -0.79 -4.95 118.16 112.66 1r89 n LYS 205 Ca -0.02 -0.85 -0.18 0.00 -2.02 0.00 0.00 58.31 55.25 1r89 n LYS 205 Cb 0.52 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.03 1r89 n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r89 n GLY 206 N 1.28 0.08 3.14 0.72 0.00 -0.48 -4.96 105.19 104.97 1r89 n GLY 206 Ca 0.15 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1r89 n GLY 206 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r89 s GLU 207 N -4.60 1.46 -0.12 1.61 2.12 -0.86 -5.02 118.70 113.30 1r89 s GLU 207 Ca 0.00 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.74 1r89 s GLU 207 Cb 0.00 -1.36 -0.02 0.00 0.26 0.00 0.00 34.13 33.01 1r89 s GLU 207 CO 0.00 0.32 -0.11 0.08 -0.54 0.00 0.00 175.26 175.01 1r89 s VAL 208 N -0.24 3.30 0.17 3.70 1.01 -1.26 -0.32 120.40 126.75 1r89 s VAL 208 Ca 0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.46 1r89 s VAL 208 Cb -0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1r89 s VAL 208 CO 0.00 0.53 0.16 -2.11 0.00 0.00 0.00 175.10 173.69 1r89 n ARG 209 N 3.25 0.24 -3.98 2.72 1.85 0.14 -4.99 116.66 115.89 1r89 n ARG 209 Ca -0.18 -1.70 -0.32 0.00 -1.00 0.00 0.00 57.85 54.66 1r89 n ARG 209 Cb 0.53 1.43 -0.05 0.00 -1.05 0.00 0.00 32.46 33.31 1r89 n ARG 209 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1r89 s LYS 210 N -2.66 3.24 0.00 2.89 1.02 -1.26 -0.86 119.74 122.10 1r89 s LYS 210 Ca 0.20 -0.49 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1r89 s LYS 210 Cb 0.01 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1r89 s LYS 210 CO 0.14 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.60 1r89 n GLY 211 N 0.60 4.13 0.10 -3.33 0.00 0.23 -4.85 105.19 102.06 1r89 n GLY 211 Ca -0.08 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 1r89 n GLY 211 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r89 h GLU 212 N 0.00 0.20 -4.33 1.61 4.39 -1.92 -3.43 114.58 111.10 1r89 h GLU 212 Ca 0.00 -0.35 -0.17 0.00 0.34 0.00 0.00 59.36 59.19 1r89 h GLU 212 Cb 0.00 0.13 -0.15 0.00 -0.10 0.00 0.00 28.75 28.63 1r89 h GLU 212 CO 0.00 1.12 -0.61 -1.21 -1.16 0.00 0.00 179.01 177.15 1r89 s GLU 213 N -2.66 0.92 0.14 2.33 8.01 -1.26 -4.76 118.70 121.42 1r89 s GLU 213 Ca -0.04 -1.38 -0.31 0.00 0.01 0.00 0.00 54.97 53.25 1r89 s GLU 213 Cb 0.08 0.26 -0.09 0.00 -4.31 0.00 0.00 34.13 30.06 1r89 s GLU 213 CO 0.86 -0.26 1.57 0.12 0.01 0.00 0.00 175.26 177.56 1r89 s PHE 214 N -4.02 2.95 -0.14 1.61 5.36 -0.27 -4.41 117.98 119.06 1r89 s PHE 214 Ca 0.21 0.59 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1r89 s PHE 214 Cb 0.07 -3.91 0.07 0.00 -0.34 0.00 0.00 43.02 38.91 1r89 s PHE 214 CO 0.00 -3.41 0.31 0.12 -1.46 0.00 0.00 175.22 170.78 1r89 s PHE 215 N 1.46 -0.50 -0.33 10.12 5.36 -0.41 -4.89 117.98 128.79 1r89 s PHE 215 Ca 0.70 1.08 -0.06 0.00 -0.96 0.00 0.00 56.93 57.70 1r89 s PHE 215 Cb -0.42 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.37 1r89 s PHE 215 CO 0.31 -0.36 0.09 0.08 -1.46 0.00 0.00 175.22 173.88 1r89 s VAL 216 N 2.15 3.68 -0.10 3.12 1.01 -1.26 -0.84 120.40 128.16 1r89 s VAL 216 Ca -0.02 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1r89 s VAL 216 Cb -0.11 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1r89 s VAL 216 CO -0.10 -0.14 1.09 -0.69 0.00 0.00 0.00 175.10 175.27 1r89 s VAL 217 N 1.39 4.56 -0.02 2.92 1.01 0.29 -0.93 120.40 129.61 1r89 s VAL 217 Ca -0.02 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 1r89 s VAL 217 Cb -0.19 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 1r89 s VAL 217 CO 0.02 -0.02 1.89 -0.62 0.00 0.00 0.00 175.10 176.37 1r89 s ASP 218 N 1.29 6.41 0.33 3.32 -1.08 -0.48 -4.17 116.67 122.28 1r89 s ASP 218 Ca 0.51 2.43 0.24 0.00 -0.52 0.00 0.00 52.55 55.21 1r89 s ASP 218 Cb -0.20 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 39.92 1r89 s ASP 218 CO 0.18 -1.12 1.73 1.55 0.52 0.00 0.00 175.17 178.03 1r89 h PRO 219 N 10.74 0.00 0.00 4.34 0.13 -1.92 -1.40 132.00 143.89 1r89 h PRO 219 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1r89 h PRO 219 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1r89 h PRO 219 CO 0.95 0.00 -0.93 0.28 -0.23 0.00 0.00 178.00 178.06 1r89 n VAL 220 N -2.32 0.33 -3.24 1.56 0.31 -1.26 -4.84 118.33 108.87 1r89 n VAL 220 Ca -0.00 -0.34 -0.03 0.00 -0.01 0.00 0.00 64.34 63.96 1r89 n VAL 220 Cb 0.10 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 1r89 n VAL 220 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1r89 s ASP 221 N -4.39 -0.51 0.65 4.52 -1.08 -0.53 -4.81 116.67 110.51 1r89 s ASP 221 Ca 0.03 0.04 0.43 0.00 -0.52 0.00 0.00 52.55 52.53 1r89 s ASP 221 Cb 0.13 1.54 2.26 0.00 -1.46 0.00 0.00 42.92 45.39 1r89 s ASP 221 CO 0.78 -0.32 2.31 1.05 0.52 0.00 0.00 175.17 179.51 1r89 h GLU 222 N 8.09 0.00 0.00 4.34 4.11 -1.88 -1.09 114.58 128.15 1r89 h GLU 222 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1r89 h GLU 222 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1r89 h GLU 222 CO 0.23 0.00 -0.07 1.63 0.07 0.00 0.00 179.01 180.87 1r89 n LYS 223 N -3.07 0.16 -3.29 1.06 4.76 -1.26 -4.71 118.16 111.82 1r89 n LYS 223 Ca -0.02 0.12 -0.39 0.00 -2.87 0.00 0.00 58.31 55.15 1r89 n LYS 223 Cb 0.11 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 31.55 1r89 n LYS 223 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1r89 s ARG 224 N -3.07 4.18 -0.57 1.97 6.06 -0.41 -5.01 118.95 122.09 1r89 s ARG 224 Ca 0.11 0.35 -0.22 0.00 -2.50 0.00 0.00 55.73 53.47 1r89 s ARG 224 Cb 0.15 -3.56 0.06 0.00 0.06 0.00 0.00 34.95 31.66 1r89 s ARG 224 CO 0.59 -0.13 0.85 1.21 -2.50 0.00 0.00 175.30 175.32 1r89 s ASN 225 N 1.15 6.25 0.55 -2.12 3.84 -1.26 -1.39 114.94 121.96 1r89 s ASN 225 Ca 0.22 -0.76 0.21 0.00 0.21 0.00 0.00 52.86 52.74 1r89 s ASN 225 Cb -0.15 -2.38 1.49 0.00 -0.55 0.00 0.00 41.25 39.65 1r89 s ASN 225 CO 0.09 -1.20 2.19 0.58 -2.79 0.00 0.00 177.10 175.97 1r89 h VAL 226 N 5.96 0.82 -0.44 -5.21 2.07 -1.39 -1.11 116.25 116.94 1r89 h VAL 226 Ca -0.28 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1r89 h VAL 226 Cb 1.08 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1r89 h VAL 226 CO 1.09 0.00 0.06 0.00 0.02 0.00 0.00 177.57 178.74 1r89 n ALA 227 N -2.46 3.64 -0.32 1.67 0.00 -1.26 -4.61 120.51 117.17 1r89 n ALA 227 Ca -0.03 -1.43 0.15 0.00 0.00 0.00 0.00 53.44 52.12 1r89 n ALA 227 Cb 0.09 -1.12 0.38 0.00 0.00 0.00 0.00 19.45 18.80 1r89 n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r89 h ALA 228 N 3.13 1.84 -0.01 0.00 0.00 -1.54 -1.62 119.26 121.05 1r89 h ALA 228 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1r89 h ALA 228 Cb 1.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1r89 h ALA 228 CO 0.41 -0.18 -0.27 0.09 0.00 0.00 0.00 179.25 179.29 1r89 n ASN 229 N -4.68 1.27 -4.66 0.00 4.13 -1.26 -4.88 115.26 105.18 1r89 n ASN 229 Ca 0.22 -1.07 -0.43 0.00 1.68 0.00 0.00 54.58 54.99 1r89 n ASN 229 Cb 0.61 0.18 -0.02 0.00 -1.54 0.00 0.00 39.78 39.01 1r89 n ASN 229 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1r89 s LEU 230 N -2.45 4.22 0.68 3.41 2.96 -0.61 -4.10 118.68 122.79 1r89 s LEU 230 Ca 0.25 1.82 -0.12 0.00 -0.22 0.00 0.00 54.13 55.86 1r89 s LEU 230 Cb 0.19 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.35 1r89 s LEU 230 CO 0.51 -0.80 1.07 -0.94 -1.32 0.00 0.00 176.35 174.87 1r89 s SER 231 N 2.31 5.25 0.23 3.68 1.04 -0.52 -4.86 113.70 120.83 1r89 s SER 231 Ca 0.59 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.70 1r89 s SER 231 Cb -0.24 -2.52 0.31 0.00 0.10 0.00 0.00 66.02 63.67 1r89 s SER 231 CO 0.18 -1.53 1.82 0.25 0.98 0.00 0.00 173.24 174.95 1r89 h LEU 232 N -0.46 0.67 -0.90 2.42 5.85 -1.94 -1.58 115.31 119.37 1r89 h LEU 232 Ca -0.45 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 1r89 h LEU 232 Cb 1.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1r89 h LEU 232 CO 0.55 0.42 -0.54 0.44 -0.34 0.00 0.00 178.44 178.97 1r89 h ASP 233 N 0.80 0.02 0.53 1.25 3.32 -1.96 -1.17 116.42 119.22 1r89 h ASP 233 Ca 0.35 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.21 1r89 h ASP 233 Cb 0.23 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1r89 h ASP 233 CO -0.20 0.56 -0.80 0.78 -1.72 0.00 0.00 179.24 177.87 1r89 h ASN 234 N 0.01 0.25 0.19 6.45 2.35 -1.79 -0.45 115.58 122.59 1r89 h ASN 234 Ca -0.00 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1r89 h ASN 234 Cb 0.96 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1r89 h ASN 234 CO 0.07 0.94 -0.13 0.25 -1.65 0.00 0.00 177.43 176.91 1r89 h LEU 235 N 0.12 -0.33 -0.52 1.61 5.85 -1.12 -0.88 115.31 120.04 1r89 h LEU 235 Ca -0.03 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1r89 h LEU 235 Cb 1.39 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.45 1r89 h LEU 235 CO 0.12 -0.21 0.14 0.00 -0.34 0.00 0.00 178.44 178.15 1r89 h ALA 236 N 0.49 0.61 -0.62 1.25 0.00 -1.09 -0.66 119.26 119.25 1r89 h ALA 236 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1r89 h ALA 236 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1r89 h ALA 236 CO 0.00 -0.27 0.20 0.00 0.00 0.00 0.00 179.25 179.18 1r89 h ARG 237 N 0.29 0.93 -0.16 0.00 3.08 -0.96 -1.23 114.38 116.33 1r89 h ARG 237 Ca 0.26 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1r89 h ARG 237 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1r89 h ARG 237 CO -0.31 0.80 -0.03 0.35 -1.07 0.00 0.00 179.97 179.71 1r89 h PHE 238 N 0.90 0.34 -0.75 3.04 3.57 -0.64 -0.45 116.94 122.96 1r89 h PHE 238 Ca 0.20 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1r89 h PHE 238 Cb 0.25 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1r89 h PHE 238 CO 0.02 0.57 0.43 0.28 -2.23 0.00 0.00 178.31 177.38 1r89 h VAL 239 N 0.01 0.96 -0.48 1.41 2.07 -0.86 -0.20 116.25 119.16 1r89 h VAL 239 Ca 0.04 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1r89 h VAL 239 Cb 0.46 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1r89 h VAL 239 CO 0.01 0.14 -0.10 -0.74 0.02 0.00 0.00 177.57 176.91 1r89 h HIS 240 N 0.77 1.03 -0.85 1.57 -0.00 -1.11 -2.25 115.15 114.31 1r89 h HIS 240 Ca 0.34 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1r89 h HIS 240 Cb 0.24 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.36 1r89 h HIS 240 CO -0.07 0.99 0.42 -0.07 -0.00 0.00 0.00 177.93 179.20 1r89 h LEU 241 N 0.77 1.10 -0.85 0.26 3.38 -0.63 -0.12 115.31 119.22 1r89 h LEU 241 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1r89 h LEU 241 Cb 0.65 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1r89 h LEU 241 CO 0.04 0.92 0.43 0.00 0.09 0.00 0.00 178.44 179.92 1r89 h ARG 243 N 1.20 0.73 -0.48 0.00 3.08 -0.78 -2.41 114.38 115.72 1r89 h ARG 243 Ca 0.29 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1r89 h ARG 243 Cb 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1r89 h ARG 243 CO -0.04 0.84 0.14 0.93 -1.07 0.00 0.00 179.97 180.77 1r89 h GLU 244 N 0.54 0.76 -0.12 0.04 5.08 -0.77 -2.46 114.58 117.65 1r89 h GLU 244 Ca 0.11 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r89 h GLU 244 Cb 0.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1r89 h GLU 244 CO 0.03 0.72 0.07 0.35 -1.00 0.00 0.00 179.01 179.18 1r89 h PHE 245 N 0.65 0.13 -0.30 4.33 3.57 -0.83 -2.06 116.94 122.42 1r89 h PHE 245 Ca 0.15 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1r89 h PHE 245 Cb 0.29 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1r89 h PHE 245 CO 0.02 0.08 -0.04 0.52 -2.23 0.00 0.00 178.31 176.65 1r89 h MET 246 N 0.15 0.48 -0.04 1.11 2.86 -1.42 0.32 114.93 118.39 1r89 h MET 246 Ca 0.05 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 1r89 h MET 246 Cb -0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1r89 h MET 246 CO -0.02 0.54 -0.57 1.49 1.06 0.00 0.00 176.91 179.41 1r89 h GLU 247 N 0.46 0.12 -0.86 1.72 4.81 -1.12 -3.40 114.58 116.31 1r89 h GLU 247 Ca 0.10 -0.08 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 1r89 h GLU 247 Cb 0.37 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 29.56 1r89 h GLU 247 CO 0.02 0.66 -0.59 0.00 -0.73 0.00 0.00 179.01 178.36 1r89 n ALA 248 N -2.45 -0.87 -1.76 2.92 0.00 -0.80 -5.11 120.51 112.44 1r89 n ALA 248 Ca -0.02 -1.57 -0.39 0.00 0.00 0.00 0.00 53.44 51.45 1r89 n ALA 248 Cb 0.58 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1r89 n ALA 248 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r89 s PRO 249 N 0.55 3.60 0.01 0.00 0.04 0.08 -4.67 135.00 134.61 1r89 s PRO 249 Ca 0.31 2.36 -0.22 0.00 0.04 0.00 0.00 61.00 63.49 1r89 s PRO 249 Cb 0.10 -2.58 0.05 0.00 0.04 0.00 0.00 34.50 32.11 1r89 s PRO 249 CO -0.14 -0.87 0.50 0.45 0.04 0.00 0.00 177.00 176.98 1r89 s SER 250 N -0.62 -0.42 0.53 6.66 0.15 -1.26 -4.45 113.70 114.29 1r89 s SER 250 Ca 0.63 0.26 0.29 0.00 0.70 0.00 0.00 55.95 57.82 1r89 s SER 250 Cb -0.43 0.46 1.49 0.00 -1.71 0.00 0.00 66.02 65.84 1r89 s SER 250 CO 0.54 -0.64 2.08 0.25 1.20 0.00 0.00 173.24 176.67 1r89 h LEU 251 N 3.06 0.00 -2.00 3.45 5.85 -1.95 -2.93 115.31 120.79 1r89 h LEU 251 Ca -0.30 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.59 1r89 h LEU 251 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1r89 h LEU 251 CO 0.41 0.10 0.45 1.23 -0.34 0.00 0.00 178.44 180.30 1r89 h GLY 252 N 0.92 0.00 2.00 3.75 0.00 -1.94 -1.13 103.07 106.67 1r89 h GLY 252 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r89 h GLY 252 CO 0.01 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.24 1r89 n PHE 253 N -4.15 0.33 -0.01 5.60 3.01 -1.11 -2.38 117.46 118.76 1r89 n PHE 253 Ca 0.11 0.13 0.07 0.00 1.01 0.00 0.00 57.45 58.76 1r89 n PHE 253 Cb 0.68 -0.70 0.15 0.00 -0.01 0.00 0.00 39.48 39.60 1r89 n PHE 253 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1r89 n PHE 254 N -1.80 0.42 -4.33 1.38 3.01 -0.43 -4.62 117.46 111.10 1r89 n PHE 254 Ca 0.03 -0.37 -0.29 0.00 1.01 0.00 0.00 57.45 57.83 1r89 n PHE 254 Cb 0.21 -0.02 -0.17 0.00 -0.01 0.00 0.00 39.48 39.50 1r89 n PHE 254 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1r89 s LYS 255 N -1.04 2.24 0.39 -1.08 1.02 -1.00 -4.75 119.74 115.51 1r89 s LYS 255 Ca 0.25 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.42 1r89 s LYS 255 Cb 0.14 -1.95 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 1r89 s LYS 255 CO 0.19 -0.11 1.32 -1.25 -0.92 0.00 0.00 175.35 174.57 1r89 s PRO 256 N 1.14 4.06 0.24 -1.68 0.04 -1.26 -4.92 135.00 132.61 1r89 s PRO 256 Ca -0.03 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 1r89 s PRO 256 Cb -0.14 -2.84 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 1r89 s PRO 256 CO -0.04 -0.43 1.27 0.15 0.04 0.00 0.00 177.00 177.99 1r89 s LYS 257 N -2.13 4.42 0.10 4.56 1.02 -1.26 -4.99 119.74 121.46 1r89 s LYS 257 Ca 0.55 2.04 -0.30 0.00 0.02 0.00 0.00 55.97 58.28 1r89 s LYS 257 Cb -0.39 -3.17 -0.06 0.00 -0.52 0.00 0.00 37.83 33.69 1r89 s LYS 257 CO 0.51 -0.16 1.10 -3.38 -0.92 0.00 0.00 175.35 172.50 1r89 s HIS 258 N -0.35 3.57 0.99 3.18 -3.43 -1.26 -4.98 115.29 113.01 1r89 s HIS 258 Ca 0.53 1.53 -0.13 0.00 -0.80 0.00 0.00 55.06 56.20 1r89 s HIS 258 Cb -0.36 -3.28 0.11 0.00 -1.43 0.00 0.00 32.58 27.62 1r89 s HIS 258 CO 0.42 -0.66 0.67 -0.35 -2.00 0.00 0.00 174.74 172.81 1r89 n PRO 259 N 3.21 -0.81 0.27 -0.38 -0.04 -1.26 -4.88 135.00 131.11 1r89 n PRO 259 Ca 0.05 -0.19 0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1r89 n PRO 259 Cb 0.47 -2.04 0.77 0.00 -0.04 0.00 0.00 33.50 32.66 1r89 n PRO 259 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1r89 h LEU 260 N -1.89 0.00 -3.32 1.53 5.85 -1.94 -3.47 115.31 112.07 1r89 h LEU 260 Ca -0.47 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.69 1r89 h LEU 260 Cb 1.30 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1r89 h LEU 260 CO 0.39 0.09 -0.98 -1.84 -0.34 0.00 0.00 178.44 175.76 1r89 n GLU 261 N -3.47 -0.81 -3.02 1.25 0.28 -1.26 -4.93 120.64 108.68 1r89 n GLU 261 Ca -0.01 0.18 -0.32 0.00 -0.16 0.00 0.00 57.16 56.84 1r89 n GLU 261 Cb 0.24 -3.18 -0.06 0.00 1.43 0.00 0.00 31.44 29.86 1r89 n GLU 261 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1r89 s ILE 262 N -3.69 4.61 0.12 3.84 2.07 -1.26 -5.06 121.20 121.82 1r89 s ILE 262 Ca 0.37 1.07 -0.20 0.00 -1.41 0.00 0.00 60.65 60.48 1r89 s ILE 262 Cb -0.19 -3.62 -0.07 0.00 0.13 0.00 0.00 42.46 38.72 1r89 s ILE 262 CO 0.95 -0.26 0.62 -1.61 -1.91 0.00 0.00 174.94 172.73 1r89 s GLU 263 N -3.12 4.23 0.41 3.50 8.01 -1.26 -4.98 118.70 125.50 1r89 s GLU 263 Ca 0.56 0.79 0.20 0.00 0.01 0.00 0.00 54.97 56.53 1r89 s GLU 263 Cb -0.10 -3.15 1.15 0.00 -4.31 0.00 0.00 34.13 27.72 1r89 s GLU 263 CO 0.18 0.57 1.79 -1.35 0.01 0.00 0.00 175.26 176.46 1r89 h PRO 264 N 4.22 0.34 -0.67 0.39 0.11 -1.97 -1.03 132.00 133.39 1r89 h PRO 264 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1r89 h PRO 264 Cb 1.21 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1r89 h PRO 264 CO 0.64 0.23 0.37 1.49 -0.21 0.00 0.00 178.00 180.52 1r89 h GLU 265 N 0.35 0.94 -0.46 1.05 4.57 -1.99 -1.11 114.58 117.93 1r89 h GLU 265 Ca 0.57 -0.11 -0.12 0.00 -1.18 0.00 0.00 59.36 58.52 1r89 h GLU 265 Cb 1.54 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 1r89 h GLU 265 CO -0.25 0.70 -0.20 -0.09 -1.18 0.00 0.00 179.01 177.99 1r89 h ARG 266 N 0.92 0.92 -0.53 1.92 2.43 -1.59 -1.94 114.38 116.52 1r89 h ARG 266 Ca 0.24 -0.38 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 1r89 h ARG 266 Cb 0.04 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1r89 h ARG 266 CO -0.04 1.03 0.13 1.25 -1.51 0.00 0.00 179.97 180.84 1r89 h LEU 267 N 0.80 0.80 -0.68 3.80 5.85 -1.42 -0.52 115.31 123.95 1r89 h LEU 267 Ca 0.11 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1r89 h LEU 267 Cb 0.75 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 1r89 h LEU 267 CO 0.06 0.82 0.32 -0.09 -0.34 0.00 0.00 178.44 179.21 1r89 h ARG 268 N 0.74 0.53 -0.54 1.25 2.43 -0.89 -0.59 114.38 117.32 1r89 h ARG 268 Ca 0.17 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1r89 h ARG 268 Cb 0.33 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1r89 h ARG 268 CO 0.00 0.35 0.10 -0.22 -1.51 0.00 0.00 179.97 178.70 1r89 h LYS 269 N 0.55 0.88 -0.20 0.20 3.64 -1.13 -1.34 116.57 119.17 1r89 h LYS 269 Ca 0.33 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1r89 h LYS 269 Cb 0.36 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1r89 h LYS 269 CO -0.27 0.85 0.12 0.82 -2.27 0.00 0.00 179.45 178.69 1r89 h ILE 270 N 0.77 1.09 -0.77 2.00 2.04 -0.67 -1.43 117.51 120.54 1r89 h ILE 270 Ca 0.17 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1r89 h ILE 270 Cb 0.38 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1r89 h ILE 270 CO 0.01 0.09 0.39 0.58 0.00 0.00 0.00 178.15 179.22 1r89 h VAL 271 N 0.24 1.24 -0.08 1.67 2.07 -0.98 -1.47 116.25 118.93 1r89 h VAL 271 Ca 0.07 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1r89 h VAL 271 Cb 0.04 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1r89 h VAL 271 CO -0.01 0.27 0.05 -0.08 0.02 0.00 0.00 177.57 177.82 1r89 h GLU 272 N 1.09 0.11 -0.67 1.57 4.81 -1.12 -1.32 114.58 119.05 1r89 h GLU 272 Ca 0.27 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1r89 h GLU 272 Cb 0.07 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1r89 h GLU 272 CO -0.04 0.10 0.37 1.49 -0.73 0.00 0.00 179.01 180.21 1r89 h GLU 273 N 0.09 0.67 -0.02 1.92 4.81 -0.96 -2.92 114.58 118.16 1r89 h GLU 273 Ca 0.03 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1r89 h GLU 273 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1r89 h GLU 273 CO -0.01 0.44 -0.52 0.00 -0.73 0.00 0.00 179.01 178.20 1r89 h ARG 274 N 0.69 0.06 -0.31 1.92 3.08 -1.17 -3.47 114.38 115.17 1r89 h ARG 274 Ca 0.30 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 1r89 h ARG 274 Cb 0.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1r89 h ARG 274 CO -0.18 0.57 -0.09 0.41 -1.07 0.00 0.00 179.97 179.61 1r89 n GLY 275 N -0.01 0.58 4.00 0.04 0.00 -0.51 -5.03 105.19 104.26 1r89 n GLY 275 Ca -0.02 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1r89 n GLY 275 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r89 s THR 276 N -2.17 2.83 -0.25 2.61 -4.23 -1.24 -4.84 115.64 108.35 1r89 s THR 276 Ca 0.00 -0.86 -0.12 0.00 -1.18 0.00 0.00 61.69 59.53 1r89 s THR 276 Cb 0.00 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.83 1r89 s THR 276 CO 0.00 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.30 1r89 s ALA 277 N -2.53 3.58 -0.13 3.99 0.00 -0.63 -4.93 121.76 121.11 1r89 s ALA 277 Ca 0.56 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.67 1r89 s ALA 277 Cb -0.10 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1r89 s ALA 277 CO 0.35 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.64 1r89 s VAL 278 N 1.35 2.04 0.25 0.00 1.01 -1.26 -0.76 120.40 123.02 1r89 s VAL 278 Ca 0.10 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1r89 s VAL 278 Cb -0.14 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1r89 s VAL 278 CO 0.07 0.55 0.64 0.72 0.00 0.00 0.00 175.10 177.08 1r89 s PHE 279 N 0.67 -0.14 0.02 5.22 -0.12 -0.77 -4.29 117.98 118.56 1r89 s PHE 279 Ca -0.11 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 1r89 s PHE 279 Cb -0.16 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1r89 s PHE 279 CO 0.02 -1.10 -0.06 0.00 -0.05 0.00 0.00 175.22 174.02 1r89 s ALA 280 N -3.90 0.47 -0.36 1.99 0.00 -0.08 -1.15 121.76 118.72 1r89 s ALA 280 Ca 0.11 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 1r89 s ALA 280 Cb -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.07 1r89 s ALA 280 CO 0.03 0.03 0.63 0.08 0.00 0.00 0.00 175.76 176.53 1r89 s VAL 281 N -0.81 4.89 -0.17 0.00 1.01 0.22 -0.94 120.40 124.60 1r89 s VAL 281 Ca -0.05 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1r89 s VAL 281 Cb -0.06 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1r89 s VAL 281 CO 0.00 -0.33 0.12 -0.75 0.00 0.00 0.00 175.10 174.14 1r89 s LYS 282 N 2.70 3.90 0.21 2.72 2.20 0.72 -1.70 119.74 130.49 1r89 s LYS 282 Ca 0.24 -0.22 -0.15 0.00 -0.36 0.00 0.00 55.97 55.47 1r89 s LYS 282 Cb -0.14 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1r89 s LYS 282 CO 0.15 0.44 0.50 -0.59 -0.36 0.00 0.00 175.35 175.49 1r89 s PHE 283 N -0.07 0.06 0.19 4.03 -0.12 -0.89 -0.91 117.98 120.27 1r89 s PHE 283 Ca 0.09 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 56.25 1r89 s PHE 283 Cb -0.11 0.31 -0.08 0.00 -0.63 0.00 0.00 43.02 42.51 1r89 s PHE 283 CO 0.00 -0.94 1.15 1.03 -0.05 0.00 0.00 175.22 176.42 1r89 s ARG 284 N -3.93 4.54 -0.04 1.99 0.52 -1.26 -0.35 118.95 120.42 1r89 s ARG 284 Ca 0.14 1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.86 1r89 s ARG 284 Cb -0.01 -3.25 -0.05 0.00 0.52 0.00 0.00 34.95 32.16 1r89 s ARG 284 CO 0.01 -0.00 1.55 0.21 0.02 0.00 0.00 175.30 177.09 1r89 s LYS 285 N -0.42 4.21 0.58 3.54 2.20 -0.38 -4.69 119.74 124.78 1r89 s LYS 285 Ca 0.51 2.09 -0.18 0.00 -0.36 0.00 0.00 55.97 58.03 1r89 s LYS 285 Cb -0.31 -3.83 -0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1r89 s LYS 285 CO 0.37 -0.76 1.12 -1.25 -0.36 0.00 0.00 175.35 174.46 1r89 s PRO 286 N 3.49 3.21 -1.28 4.03 0.04 -1.26 -4.92 135.00 138.31 1r89 s PRO 286 Ca 0.69 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 1r89 s PRO 286 Cb -0.32 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.37 1r89 s PRO 286 CO 0.27 -0.95 1.75 -3.47 0.04 0.00 0.00 177.00 174.64 1r89 n ASP 287 N -1.63 4.97 -4.22 6.66 2.03 -1.26 -4.89 116.55 118.21 1r89 n ASP 287 Ca 0.11 -3.01 -0.13 0.00 0.52 0.00 0.00 54.79 52.29 1r89 n ASP 287 Cb 0.51 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 1r89 n ASP 287 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1r89 s ILE 288 N 1.60 0.91 0.68 5.18 -4.36 -1.26 -5.15 121.20 118.81 1r89 s ILE 288 Ca 0.43 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.69 1r89 s ILE 288 Cb 0.05 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.95 1r89 s ILE 288 CO 0.00 -0.77 1.10 0.68 0.24 0.00 0.00 174.94 176.19 1r89 s VAL 289 N -3.49 3.38 0.30 8.37 -7.23 -1.26 -4.70 120.40 115.77 1r89 s VAL 289 Ca 0.16 0.58 0.05 0.00 -1.81 0.00 0.00 61.98 60.96 1r89 s VAL 289 Cb 0.04 -3.11 0.29 0.00 0.56 0.00 0.00 36.38 34.17 1r89 s VAL 289 CO -0.01 -0.46 1.72 0.44 -0.31 0.00 0.00 175.10 176.47 1r89 h ASP 290 N -0.27 0.49 0.76 4.85 3.32 -1.99 -0.00 116.42 123.59 1r89 h ASP 290 Ca -0.46 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1r89 h ASP 290 Cb 1.24 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1r89 h ASP 290 CO 0.54 0.07 0.00 0.44 -1.72 0.00 0.00 179.24 178.57 1r89 h ASP 291 N 0.50 0.00 0.05 6.45 3.32 -1.98 -0.42 116.42 124.33 1r89 h ASP 291 Ca 0.58 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.28 1r89 h ASP 291 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1r89 h ASP 291 CO -0.49 0.00 -2.02 -3.20 -1.72 0.00 0.00 179.24 171.81 1r89 n ASN 292 N -2.69 2.01 0.08 6.45 2.85 -0.65 -4.48 115.26 118.83 1r89 n ASN 292 Ca 0.01 0.20 -0.13 0.00 -0.11 0.00 0.00 54.58 54.55 1r89 n ASN 292 Cb 0.24 -0.78 -0.08 0.00 1.24 0.00 0.00 39.78 40.40 1r89 n ASN 292 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1r89 h LEU 293 N -0.36 -0.11 -0.43 1.20 5.85 -0.78 -3.19 115.31 117.50 1r89 h LEU 293 Ca -0.49 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1r89 h LEU 293 Cb 1.77 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.81 1r89 h LEU 293 CO -0.10 -0.01 0.19 1.88 -0.34 0.00 0.00 178.44 180.07 1r89 h TYR 294 N -0.20 0.63 -0.52 1.25 -1.99 -1.33 -0.64 116.97 114.17 1r89 h TYR 294 Ca -0.01 -0.04 0.10 0.00 2.00 0.00 0.00 58.73 60.78 1r89 h TYR 294 Cb 0.17 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1r89 h TYR 294 CO -0.05 0.53 0.36 -1.35 -0.00 0.00 0.00 178.16 177.65 1r89 h PRO 295 N 0.55 0.27 -0.12 4.88 0.11 -1.78 -0.27 132.00 135.63 1r89 h PRO 295 Ca 0.15 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 1r89 h PRO 295 Cb 0.15 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.20 1r89 h PRO 295 CO -0.02 0.18 -0.80 1.96 -0.21 0.00 0.00 178.00 179.11 1r89 h GLN 296 N 0.27 0.71 -0.53 1.05 4.20 -1.20 -1.16 115.11 118.46 1r89 h GLN 296 Ca 0.24 -0.60 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 1r89 h GLN 296 Cb 0.60 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 1r89 h GLN 296 CO -0.05 1.21 0.11 -0.07 -0.67 0.00 0.00 178.83 179.35 1r89 h LEU 297 N 0.47 0.76 -0.26 1.46 3.38 -0.43 0.28 115.31 120.98 1r89 h LEU 297 Ca -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1r89 h LEU 297 Cb 1.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1r89 h LEU 297 CO 0.16 0.76 0.04 -0.08 0.09 0.00 0.00 178.44 179.41 1r89 h GLU 298 N 0.78 0.44 -0.30 1.13 4.81 -0.97 -1.27 114.58 119.21 1r89 h GLU 298 Ca 0.17 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1r89 h GLU 298 Cb 0.31 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1r89 h GLU 298 CO 0.00 0.56 0.06 -0.09 -0.73 0.00 0.00 179.01 178.81 1r89 h ARG 299 N 0.25 0.49 -0.48 1.92 2.43 -0.82 -1.66 114.38 116.51 1r89 h ARG 299 Ca 0.08 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1r89 h ARG 299 Cb 0.34 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1r89 h ARG 299 CO 0.01 0.58 0.26 0.00 -1.51 0.00 0.00 179.97 179.30 1r89 h ALA 300 N 0.89 0.62 -0.60 2.80 0.00 -0.33 -0.66 119.26 121.98 1r89 h ALA 300 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1r89 h ALA 300 Cb 0.32 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1r89 h ALA 300 CO 0.00 0.15 0.35 1.03 0.00 0.00 0.00 179.25 180.78 1r89 h SER 301 N 0.63 0.73 -0.43 0.00 0.87 -1.19 -1.71 113.55 112.46 1r89 h SER 301 Ca 0.17 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.55 1r89 h SER 301 Cb 0.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1r89 h SER 301 CO -0.03 0.59 -0.11 -0.09 -0.53 0.00 0.00 176.83 176.67 1r89 h ARG 302 N 0.81 0.89 -0.28 2.24 2.43 -0.93 0.06 114.38 119.59 1r89 h ARG 302 Ca 0.21 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 1r89 h ARG 302 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1r89 h ARG 302 CO -0.04 0.95 -0.34 0.87 -1.51 0.00 0.00 179.97 179.90 1r89 h LYS 303 N 0.80 0.62 -0.09 0.20 1.79 -0.80 0.18 116.57 119.26 1r89 h LYS 303 Ca 0.13 -0.29 -0.24 0.00 -2.18 0.00 0.00 60.65 58.07 1r89 h LYS 303 Cb 0.63 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.28 1r89 h LYS 303 CO 0.04 0.87 -0.88 0.82 -1.08 0.00 0.00 179.45 179.23 1r89 h ILE 304 N 0.52 1.29 -0.49 1.86 2.04 -1.16 -1.12 117.51 120.46 1r89 h ILE 304 Ca 0.06 -2.10 0.05 0.00 1.00 0.00 0.00 64.86 63.86 1r89 h ILE 304 Cb 0.84 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 1r89 h ILE 304 CO 0.07 0.66 0.23 0.15 0.00 0.00 0.00 178.15 179.25 1r89 h PHE 305 N 0.46 0.41 -0.28 1.37 3.57 -0.64 -0.34 116.94 121.49 1r89 h PHE 305 Ca -0.08 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1r89 h PHE 305 Cb 1.51 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 1r89 h PHE 305 CO 0.09 0.19 -0.14 0.93 -2.23 0.00 0.00 178.31 177.14 1r89 h GLU 306 N 0.44 0.49 0.03 1.11 5.08 -0.55 -0.95 114.58 120.24 1r89 h GLU 306 Ca 0.22 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1r89 h GLU 306 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1r89 h GLU 306 CO -0.17 0.63 -0.02 0.35 -1.00 0.00 0.00 179.01 178.80 1r89 h PHE 307 N 0.45 -0.04 -0.93 4.33 3.57 -0.81 -0.79 116.94 122.72 1r89 h PHE 307 Ca 0.08 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1r89 h PHE 307 Cb 0.52 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 1r89 h PHE 307 CO 0.02 0.03 0.61 -0.07 -2.23 0.00 0.00 178.31 176.67 1r89 h LEU 308 N -0.11 1.01 -0.12 0.59 3.38 -0.61 -0.45 115.31 119.01 1r89 h LEU 308 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1r89 h LEU 308 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1r89 h LEU 308 CO 0.01 0.70 0.02 -0.08 0.09 0.00 0.00 178.44 179.18 1r89 h GLU 309 N 1.18 0.19 -0.82 1.13 4.57 -1.05 -1.85 114.58 117.94 1r89 h GLU 309 Ca 0.36 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.56 1r89 h GLU 309 Cb -0.01 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.50 1r89 h GLU 309 CO -0.10 0.38 0.53 -0.09 -1.18 0.00 0.00 179.01 178.55 1r89 h ARG 310 N -0.03 0.85 -0.56 1.92 2.43 -0.77 -2.37 114.38 115.85 1r89 h ARG 310 Ca 0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1r89 h ARG 310 Cb 0.28 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1r89 h ARG 310 CO 0.00 0.57 0.00 0.39 -1.51 0.00 0.00 179.97 179.42 1r89 n GLU 311 N -4.49 2.41 -2.44 0.20 -0.58 -0.21 -4.93 120.64 110.60 1r89 n GLU 311 Ca 0.12 -1.51 -0.16 0.00 -0.42 0.00 0.00 57.16 55.20 1r89 n GLU 311 Cb 0.22 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1r89 n GLU 311 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1r89 n ASN 312 N 0.50 -4.71 -0.59 1.62 4.13 -0.89 -4.90 115.26 110.42 1r89 n ASN 312 Ca 0.14 -0.07 0.12 0.00 1.68 0.00 0.00 54.58 56.45 1r89 n ASN 312 Cb 0.51 -3.77 0.19 0.00 -1.54 0.00 0.00 39.78 35.17 1r89 n ASN 312 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1r89 n PHE 313 N -4.06 0.00 -3.40 3.10 3.72 -0.72 -4.88 117.46 111.22 1r89 n PHE 313 Ca -0.16 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.05 1r89 n PHE 313 Cb 0.63 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.19 1r89 n PHE 313 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1r89 n MET 314 N 0.32 -1.70 -2.06 -1.08 2.81 -1.25 -2.44 117.12 111.72 1r89 n MET 314 Ca 0.13 0.82 -0.41 0.00 -1.81 0.00 0.00 57.70 56.43 1r89 n MET 314 Cb 0.47 -5.05 -0.02 0.00 -0.71 0.00 0.00 33.22 27.91 1r89 n MET 314 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1r89 s PRO 315 N -4.76 4.31 -0.17 0.03 0.04 -1.26 -0.75 135.00 132.44 1r89 s PRO 315 Ca 0.37 2.27 -0.13 0.00 0.04 0.00 0.00 61.00 63.55 1r89 s PRO 315 Cb -0.09 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 1r89 s PRO 315 CO 0.79 -0.27 -0.20 1.28 0.04 0.00 0.00 177.00 178.65 1r89 n LEU 316 N 0.97 1.86 -3.92 -3.56 4.77 0.73 -4.89 117.00 112.97 1r89 n LEU 316 Ca 0.01 0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1r89 n LEU 316 Cb 0.41 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1r89 n LEU 316 CO 0.60 -0.26 0.00 -0.13 -1.33 0.00 0.00 177.39 176.27 1r89 s ARG 317 N -2.47 1.13 0.17 3.23 0.52 -1.24 -5.04 118.95 115.26 1r89 s ARG 317 Ca -0.22 -1.10 0.05 0.00 -0.52 0.00 0.00 55.73 53.94 1r89 s ARG 317 Cb 0.04 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.85 1r89 s ARG 317 CO 0.34 -0.42 -0.10 -1.54 0.02 0.00 0.00 175.30 173.60 1r89 s SER 318 N -2.94 2.04 0.33 0.23 1.04 -1.26 -2.06 113.70 111.07 1r89 s SER 318 Ca 0.14 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 1r89 s SER 318 Cb 0.03 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1r89 s SER 318 CO -0.02 -0.31 0.49 0.00 0.98 0.00 0.00 173.24 174.39 1r89 s ALA 319 N -3.23 0.49 0.07 5.32 0.00 -0.45 -4.99 121.76 118.97 1r89 s ALA 319 Ca 0.20 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1r89 s ALA 319 Cb 0.02 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.28 1r89 s ALA 319 CO 0.03 -0.81 0.40 -0.59 0.00 0.00 0.00 175.76 174.79 1r89 s PHE 320 N -3.16 -0.23 -0.08 0.00 -0.12 -1.26 -0.38 117.98 112.76 1r89 s PHE 320 Ca 0.28 0.09 -0.09 0.00 -0.05 0.00 0.00 56.93 57.17 1r89 s PHE 320 Cb -0.01 0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.62 1r89 s PHE 320 CO 0.18 -0.61 0.24 0.21 -0.05 0.00 0.00 175.22 175.19 1r89 s LYS 321 N -2.90 0.32 -0.18 1.99 2.47 -0.44 -5.00 119.74 116.00 1r89 s LYS 321 Ca -0.03 0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.63 1r89 s LYS 321 Cb 0.00 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1r89 s LYS 321 CO -0.05 -0.05 -0.17 0.00 0.16 0.00 0.00 175.35 175.24 1r89 s ALA 322 N -0.09 2.43 0.31 3.13 0.00 -1.26 -0.92 121.76 125.36 1r89 s ALA 322 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1r89 s ALA 322 Cb -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1r89 s ALA 322 CO 0.01 -0.28 0.00 -1.13 0.00 0.00 0.00 175.76 174.36 1r89 n SER 323 N 4.51 0.00 -0.15 0.00 3.41 0.68 -5.00 113.62 117.07 1r89 n SER 323 Ca -0.20 -0.74 -0.12 0.00 -0.26 0.00 0.00 58.87 57.56 1r89 n SER 323 Cb 0.51 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1r89 n SER 323 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1r89 h GLU 324 N 0.00 0.96 0.00 4.33 4.39 -2.02 -3.37 114.58 118.87 1r89 h GLU 324 Ca 0.00 -0.42 -0.28 0.00 0.34 0.00 0.00 59.36 59.00 1r89 h GLU 324 Cb 0.00 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1r89 h GLU 324 CO 0.00 1.09 -2.05 -1.91 -1.16 0.00 0.00 179.01 174.98 1r89 n GLU 325 N -4.14 1.19 -4.37 2.33 2.13 -1.26 -4.86 120.64 111.65 1r89 n GLU 325 Ca -0.00 0.03 -0.21 0.00 0.66 0.00 0.00 57.16 57.64 1r89 n GLU 325 Cb 0.46 -1.38 -0.11 0.00 0.27 0.00 0.00 31.44 30.68 1r89 n GLU 325 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1r89 s PHE 326 N -2.37 1.90 0.17 4.31 0.40 -1.26 -1.25 117.98 119.88 1r89 s PHE 326 Ca -0.14 -0.47 0.09 0.00 -0.60 0.00 0.00 56.93 55.81 1r89 s PHE 326 Cb 0.05 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.65 1r89 s PHE 326 CO 0.55 0.43 -0.12 0.00 0.70 0.00 0.00 175.22 176.78 1r89 s TYR 328 N -1.64 0.13 -0.26 0.00 1.51 -0.10 -2.10 117.35 114.90 1r89 s TYR 328 Ca 0.24 0.11 -0.06 0.00 -1.01 0.00 0.00 57.07 56.35 1r89 s TYR 328 Cb -0.09 -0.35 -0.00 0.00 -0.11 0.00 0.00 41.96 41.41 1r89 s TYR 328 CO 0.14 -0.13 0.04 -0.51 -1.11 0.00 0.00 175.55 173.98 1r89 s LEU 329 N 1.30 3.45 -0.04 -1.29 1.43 -0.69 -1.32 118.68 121.53 1r89 s LEU 329 Ca -0.06 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1r89 s LEU 329 Cb -0.13 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1r89 s LEU 329 CO -0.03 -0.10 0.01 -0.76 0.23 0.00 0.00 176.35 175.70 1r89 s LEU 330 N 1.51 3.59 0.00 1.79 1.43 0.49 -0.61 118.68 126.88 1r89 s LEU 330 Ca 0.04 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1r89 s LEU 330 Cb -0.16 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1r89 s LEU 330 CO 0.01 0.33 0.02 -0.36 0.23 0.00 0.00 176.35 176.57 1r89 s PHE 331 N -1.00 0.08 -0.07 0.29 0.08 -0.30 -1.34 117.98 115.71 1r89 s PHE 331 Ca 0.17 -0.15 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1r89 s PHE 331 Cb -0.11 -0.07 0.01 0.00 -0.57 0.00 0.00 43.02 42.28 1r89 s PHE 331 CO 0.07 -0.11 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.94 1r89 s GLU 332 N -0.65 1.90 0.08 0.44 2.12 -0.88 -1.85 118.70 119.86 1r89 s GLU 332 Ca -0.07 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 54.85 1r89 s GLU 332 Cb -0.04 -1.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 1r89 s GLU 332 CO -0.00 0.07 -0.22 0.00 -0.54 0.00 0.00 175.26 174.57 1r89 h GLN 334 N 4.44 0.00 -4.99 0.00 4.20 -0.86 -1.67 115.11 116.24 1r89 h GLN 334 Ca -0.45 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 57.61 1r89 h GLN 334 Cb 1.17 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.70 1r89 h GLN 334 CO 0.42 0.00 -0.68 0.42 -0.67 0.00 0.00 178.83 178.32 1r89 s ILE 335 N -3.21 3.79 -0.03 2.54 -1.09 -1.02 -4.84 121.20 117.35 1r89 s ILE 335 Ca 0.07 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1r89 s ILE 335 Cb 0.07 -2.75 -0.25 0.00 -1.58 0.00 0.00 42.46 37.96 1r89 s ILE 335 CO 0.64 0.39 0.72 0.11 -1.23 0.00 0.00 174.94 175.57 1r89 h LYS 336 N 8.08 0.12 -2.80 2.79 1.57 -1.88 -3.41 116.57 121.05 1r89 h LYS 336 Ca -0.40 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.03 1r89 h LYS 336 Cb 1.17 0.08 -0.27 0.00 0.08 0.00 0.00 32.23 33.29 1r89 h LYS 336 CO 0.59 0.86 -0.34 -2.00 -0.57 0.00 0.00 179.45 177.99 1r89 s GLU 337 N -2.61 0.35 0.24 3.15 2.12 -1.26 -4.32 118.70 116.38 1r89 s GLU 337 Ca -0.09 0.65 0.09 0.00 0.36 0.00 0.00 54.97 55.99 1r89 s GLU 337 Cb 0.08 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.43 1r89 s GLU 337 CO 0.82 -0.13 -0.05 -1.50 -0.54 0.00 0.00 175.26 173.86 1r89 s ILE 338 N 1.05 3.31 0.76 -3.70 2.07 -0.02 -5.02 121.20 119.64 1r89 s ILE 338 Ca -0.07 -1.87 -0.14 0.00 -1.41 0.00 0.00 60.65 57.16 1r89 s ILE 338 Cb -0.07 -2.73 0.06 0.00 0.13 0.00 0.00 42.46 39.85 1r89 s ILE 338 CO -0.08 -0.29 1.22 -0.94 -1.91 0.00 0.00 174.94 172.93 1r89 s SER 339 N -3.40 3.92 0.17 4.50 1.04 -1.26 -4.70 113.70 113.96 1r89 s SER 339 Ca 0.29 2.40 -0.13 0.00 0.48 0.00 0.00 55.95 59.00 1r89 s SER 339 Cb -0.07 -2.59 0.06 0.00 0.10 0.00 0.00 66.02 63.52 1r89 s SER 339 CO 0.18 -2.45 1.74 -0.09 0.98 0.00 0.00 173.24 173.60 1r89 h ARG 340 N -0.51 0.82 -6.50 4.02 9.65 -1.93 -3.44 114.38 116.48 1r89 h ARG 340 Ca -0.47 -0.13 -0.53 0.00 -1.10 0.00 0.00 59.98 57.75 1r89 h ARG 340 Cb 1.30 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 1r89 h ARG 340 CO 0.48 0.68 0.07 0.54 2.80 0.00 0.00 179.97 184.54 1r89 s VAL 341 N -5.66 4.61 0.28 0.20 0.11 -1.26 -0.39 120.40 118.29 1r89 s VAL 341 Ca -0.13 1.24 0.03 0.00 -2.93 0.00 0.00 61.98 60.19 1r89 s VAL 341 Cb 0.12 -3.86 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 1r89 s VAL 341 CO 0.78 0.27 0.25 0.72 -3.33 0.00 0.00 175.10 173.78 1r89 s PHE 342 N -1.45 1.44 -0.26 1.54 -0.12 -0.05 -4.91 117.98 114.18 1r89 s PHE 342 Ca 0.40 -1.50 -0.08 0.00 -0.05 0.00 0.00 56.93 55.69 1r89 s PHE 342 Cb -0.17 -0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1r89 s PHE 342 CO 0.21 -0.81 0.11 1.03 -0.05 0.00 0.00 175.22 175.70 1r89 s ARG 343 N -3.69 3.69 -0.20 1.99 0.52 -1.26 -1.27 118.95 118.73 1r89 s ARG 343 Ca 0.39 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 1r89 s ARG 343 Cb 0.04 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 1r89 s ARG 343 CO 0.21 -0.21 0.21 0.50 0.02 0.00 0.00 175.30 176.03 1r89 s ARG 344 N 1.65 4.19 0.08 3.54 6.06 0.80 -4.95 118.95 130.32 1r89 s ARG 344 Ca 0.06 -0.10 -0.30 0.00 -2.50 0.00 0.00 55.73 52.89 1r89 s ARG 344 Cb -0.15 -3.45 -0.05 0.00 0.06 0.00 0.00 34.95 31.35 1r89 s ARG 344 CO 0.06 0.21 1.03 1.41 -2.50 0.00 0.00 175.30 175.51 1r89 s MET 345 N 0.60 4.59 0.00 5.12 -2.45 -1.26 -0.92 119.30 124.98 1r89 s MET 345 Ca 0.11 1.54 0.00 0.00 -1.25 0.00 0.00 55.69 56.09 1r89 s MET 345 Cb -0.12 -3.38 0.00 0.00 1.25 0.00 0.00 34.83 32.58 1r89 s MET 345 CO 0.02 0.03 0.00 0.41 1.05 0.00 0.00 175.02 176.53 1r89 n GLY 346 N 2.58 3.81 3.86 2.11 0.00 0.12 -4.93 105.19 112.75 1r89 n GLY 346 Ca 0.05 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.61 1r89 n GLY 346 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1r89 s PRO 347 N -1.37 2.17 0.56 1.61 0.04 -1.26 -4.44 135.00 132.31 1r89 s PRO 347 Ca 0.00 0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.20 1r89 s PRO 347 Cb 0.00 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1r89 s PRO 347 CO 0.00 -1.49 1.18 -0.65 0.04 0.00 0.00 177.00 176.07 1r89 s GLN 348 N -5.39 3.19 0.53 4.56 -1.52 -1.26 -1.43 119.66 118.34 1r89 s GLN 348 Ca 0.61 1.75 0.22 0.00 -1.95 0.00 0.00 55.36 55.99 1r89 s GLN 348 Cb -0.12 -2.01 1.43 0.00 -0.22 0.00 0.00 33.01 32.09 1r89 s GLN 348 CO 0.51 -1.02 2.15 0.27 -0.25 0.00 0.00 175.29 176.96 1r89 h PHE 349 N 1.12 0.00 0.00 0.91 -5.15 -1.60 -1.75 116.94 110.47 1r89 h PHE 349 Ca -0.50 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.23 1r89 h PHE 349 Cb 1.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.45 1r89 h PHE 349 CO 0.49 0.05 -0.17 0.93 -2.00 0.00 0.00 178.31 177.61 1r89 h GLU 350 N 0.00 0.00 -5.16 6.09 3.07 -1.91 -3.39 114.58 113.28 1r89 h GLU 350 Ca -0.00 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.15 1r89 h GLU 350 Cb 0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.89 1r89 h GLU 350 CO 0.01 0.17 1.94 -3.47 -1.40 0.00 0.00 179.01 176.26 1r89 n ASP 351 N -3.88 4.98 -0.21 1.42 -0.08 -0.66 -4.83 116.55 113.29 1r89 n ASP 351 Ca -0.02 -2.95 0.01 0.00 -1.51 0.00 0.00 54.79 50.32 1r89 n ASP 351 Cb 0.26 -1.66 0.12 0.00 2.34 0.00 0.00 41.12 42.19 1r89 n ASP 351 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1r89 h GLU 352 N 7.17 0.41 -0.49 -0.67 4.81 -1.86 -0.54 114.58 123.42 1r89 h GLU 352 Ca 0.41 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1r89 h GLU 352 Cb 0.84 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1r89 h GLU 352 CO 1.42 0.27 0.26 -0.09 -0.73 0.00 0.00 179.01 180.14 1r89 h ARG 353 N 0.42 0.69 0.00 1.92 2.43 -1.97 -1.27 114.38 116.59 1r89 h ARG 353 Ca 0.33 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.24 1r89 h ARG 353 Cb 0.42 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1r89 h ARG 353 CO -0.32 0.55 -0.79 -0.91 -1.51 0.00 0.00 179.97 176.98 1r89 h ASN 354 N 0.65 0.00 -0.38 -3.80 2.35 -1.86 -2.74 115.58 109.80 1r89 h ASN 354 Ca 0.17 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1r89 h ASN 354 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1r89 h ASN 354 CO -0.03 0.79 0.13 0.58 -1.65 0.00 0.00 177.43 177.25 1r89 h VAL 355 N 0.00 1.21 -0.67 2.81 2.07 -0.88 -0.48 116.25 120.31 1r89 h VAL 355 Ca -0.01 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.89 1r89 h VAL 355 Cb 1.48 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1r89 h VAL 355 CO 0.10 0.23 0.39 0.50 0.02 0.00 0.00 177.57 178.82 1r89 h LYS 356 N 0.46 0.72 -0.21 1.57 3.64 -1.20 -0.38 116.57 121.17 1r89 h LYS 356 Ca 0.12 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1r89 h LYS 356 Cb 0.24 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1r89 h LYS 356 CO -0.01 0.48 0.07 0.87 -2.27 0.00 0.00 179.45 178.60 1r89 h LYS 357 N 0.74 0.32 -0.78 1.90 1.57 -1.22 -1.90 116.57 117.20 1r89 h LYS 357 Ca 0.29 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1r89 h LYS 357 Cb 0.12 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1r89 h LYS 357 CO -0.15 0.40 0.49 0.35 -0.57 0.00 0.00 179.45 179.97 1r89 h PHE 358 N 0.17 0.93 0.00 -1.35 3.57 -0.44 -2.41 116.94 117.41 1r89 h PHE 358 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1r89 h PHE 358 Cb 0.21 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1r89 h PHE 358 CO -0.00 0.53 -0.02 1.28 -2.23 0.00 0.00 178.31 177.87 1r89 n LEU 359 N -4.61 0.06 0.11 0.59 4.77 -0.21 -3.71 117.00 114.00 1r89 n LEU 359 Ca 0.09 0.48 -0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1r89 n LEU 359 Cb 0.09 -0.48 0.28 0.00 -2.33 0.00 0.00 43.42 40.98 1r89 n LEU 359 CO 0.33 -0.00 0.71 0.28 -1.33 0.00 0.00 177.39 177.39 1r89 h SER 360 N 0.00 0.21 -3.57 -1.43 0.02 -0.81 -3.45 113.55 104.53 1r89 h SER 360 Ca 0.00 -0.07 -0.52 0.00 -0.84 0.00 0.00 61.79 60.36 1r89 h SER 360 Cb 0.51 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 63.02 1r89 h SER 360 CO 0.00 0.54 0.57 -0.13 -1.14 0.00 0.00 176.83 176.68 1r89 s ARG 361 N -4.29 4.48 0.12 3.45 0.52 -1.24 -4.98 118.95 117.00 1r89 s ARG 361 Ca -0.04 1.95 -0.30 0.00 -0.52 0.00 0.00 55.73 56.81 1r89 s ARG 361 Cb 0.14 -3.20 -0.07 0.00 0.52 0.00 0.00 34.95 32.34 1r89 s ARG 361 CO 0.76 -0.08 1.21 1.21 0.02 0.00 0.00 175.30 178.42 1r89 s ASN 362 N -0.08 7.07 0.05 0.23 2.47 -1.26 -5.03 114.94 118.39 1r89 s ASN 362 Ca 0.52 2.13 -0.05 0.00 0.42 0.00 0.00 52.86 55.88 1r89 s ASN 362 Cb -0.34 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 36.85 1r89 s ASN 362 CO 0.40 -0.44 0.08 -0.13 -3.72 0.00 0.00 177.10 173.29 1r89 s ARG 363 N 0.51 0.65 0.31 0.43 0.52 -1.26 -5.04 118.95 115.06 1r89 s ARG 363 Ca 0.57 -0.93 0.11 0.00 -0.52 0.00 0.00 55.73 54.95 1r89 s ARG 363 Cb -0.31 0.25 0.48 0.00 0.52 0.00 0.00 34.95 35.88 1r89 s ARG 363 CO 0.32 -0.16 1.68 0.00 0.02 0.00 0.00 175.30 177.17 1r89 h ALA 364 N 3.33 1.12 -2.65 2.13 0.00 -1.96 -3.45 119.26 117.78 1r89 h ALA 364 Ca -0.33 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.55 1r89 h ALA 364 Cb 1.18 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1r89 h ALA 364 CO 0.56 0.67 -0.77 -0.06 0.00 0.00 0.00 179.25 179.64 1r89 s PHE 365 N -3.81 1.97 0.04 0.00 0.08 -1.26 -5.12 117.98 109.87 1r89 s PHE 365 Ca -0.02 -0.44 -0.28 0.00 0.12 0.00 0.00 56.93 56.30 1r89 s PHE 365 Cb 0.13 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.60 1r89 s PHE 365 CO 0.75 0.45 0.91 1.03 -0.10 0.00 0.00 175.22 178.26 1r89 s ARG 366 N -3.12 4.58 0.93 0.44 0.52 -1.26 -4.76 118.95 116.28 1r89 s ARG 366 Ca 0.21 1.31 -0.11 0.00 -0.52 0.00 0.00 55.73 56.62 1r89 s ARG 366 Cb -0.05 -3.42 0.15 0.00 0.52 0.00 0.00 34.95 32.16 1r89 s ARG 366 CO 0.09 0.10 1.11 -2.14 0.02 0.00 0.00 175.30 174.48 1r89 s PRO 367 N 0.48 0.96 0.07 3.54 0.02 -1.26 -4.66 135.00 134.15 1r89 s PRO 367 Ca 0.47 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.71 1r89 s PRO 367 Cb -0.21 -1.74 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1r89 s PRO 367 CO 0.27 -2.58 0.06 -0.59 -0.33 0.00 0.00 177.00 173.83 1r89 s PHE 368 N -2.71 0.42 -0.14 6.54 -0.12 -0.20 -4.98 117.98 116.80 1r89 s PHE 368 Ca 0.65 -0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 56.51 1r89 s PHE 368 Cb -0.21 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 41.85 1r89 s PHE 368 CO 0.59 -0.46 0.23 0.42 -0.05 0.00 0.00 175.22 175.95 1r89 s ILE 369 N -3.91 5.34 -0.04 -4.49 1.01 -1.26 -0.93 121.20 116.92 1r89 s ILE 369 Ca 0.08 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1r89 s ILE 369 Cb 0.07 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 39.02 1r89 s ILE 369 CO -0.09 0.48 0.08 -0.70 0.00 0.00 0.00 174.94 174.71 1r89 s GLU 370 N -0.12 -0.00 -1.51 2.79 2.12 -0.06 -4.91 118.70 117.01 1r89 s GLU 370 Ca 0.15 0.29 -0.08 0.00 0.36 0.00 0.00 54.97 55.69 1r89 s GLU 370 Cb -0.13 -0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.06 1r89 s GLU 370 CO 0.04 -0.20 0.62 -1.71 -0.54 0.00 0.00 175.26 173.47 1r89 n ASN 371 N 4.39 -1.86 0.00 -1.70 5.15 -1.26 -2.19 115.26 117.80 1r89 n ASN 371 Ca -0.23 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 1r89 n ASN 371 Cb 0.50 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 1r89 n ASN 371 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r89 n GLY 372 N -1.75 0.71 2.99 8.20 0.00 -1.26 -5.01 105.19 109.08 1r89 n GLY 372 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1r89 n GLY 372 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1r89 s ARG 373 N -0.18 0.36 0.35 1.61 3.52 -0.93 -1.43 118.95 122.26 1r89 s ARG 373 Ca 0.00 -0.51 -0.25 0.00 -0.13 0.00 0.00 55.73 54.84 1r89 s ARG 373 Cb 0.00 -0.14 -0.10 0.00 -1.56 0.00 0.00 34.95 33.15 1r89 s ARG 373 CO 0.00 0.02 0.97 -1.58 -0.81 0.00 0.00 175.30 173.91 1r89 s TRP 374 N -0.99 3.56 0.03 5.12 0.52 -0.51 -0.88 118.94 125.79 1r89 s TRP 374 Ca -0.08 1.74 0.01 0.00 0.02 0.00 0.00 56.10 57.78 1r89 s TRP 374 Cb -0.07 -2.98 -0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1r89 s TRP 374 CO -0.00 -0.03 -0.04 -1.58 0.02 0.00 0.00 176.95 175.31 1r89 s TRP 375 N -1.65 0.42 -0.01 -1.98 0.52 -0.10 0.14 118.94 116.28 1r89 s TRP 375 Ca 0.53 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 56.10 1r89 s TRP 375 Cb -0.19 -0.28 -0.01 0.00 -1.15 0.00 0.00 33.47 31.84 1r89 s TRP 375 CO 0.24 -0.18 -0.13 0.00 0.02 0.00 0.00 176.95 176.90 1r89 s ALA 376 N -1.77 1.09 0.04 0.98 0.00 -0.10 -1.03 121.76 120.98 1r89 s ALA 376 Ca -0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1r89 s ALA 376 Cb -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1r89 s ALA 376 CO -0.02 0.27 1.07 -0.06 0.00 0.00 0.00 175.76 177.02 1r89 s PHE 377 N -0.33 3.57 0.23 0.00 0.08 -1.26 -0.14 117.98 120.13 1r89 s PHE 377 Ca 0.05 1.54 -0.01 0.00 0.12 0.00 0.00 56.93 58.63 1r89 s PHE 377 Cb -0.05 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 1r89 s PHE 377 CO -0.00 -0.54 0.20 -1.21 -0.10 0.00 0.00 175.22 173.56 1r89 s GLU 378 N 0.92 1.35 -0.14 0.44 2.02 -0.40 -4.68 118.70 118.23 1r89 s GLU 378 Ca 0.54 -1.67 -0.01 0.00 0.02 0.00 0.00 54.97 53.86 1r89 s GLU 378 Cb -0.25 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.27 1r89 s GLU 378 CO 0.29 -0.47 -0.12 -1.64 0.02 0.00 0.00 175.26 173.34 1r89 s MET 379 N -3.98 3.42 0.59 1.61 -1.94 -1.26 -0.87 119.30 116.87 1r89 s MET 379 Ca 0.38 -0.66 -0.19 0.00 -1.71 0.00 0.00 55.69 53.51 1r89 s MET 379 Cb 0.05 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 1r89 s MET 379 CO 0.15 0.20 1.19 1.03 -0.01 0.00 0.00 175.02 177.58 1r89 s ARG 380 N 0.39 3.01 0.00 2.03 0.52 0.48 -4.96 118.95 120.42 1r89 s ARG 380 Ca -0.09 1.78 0.28 0.00 -0.52 0.00 0.00 55.73 57.17 1r89 s ARG 380 Cb -0.16 -1.94 0.96 0.00 0.52 0.00 0.00 34.95 34.33 1r89 s ARG 380 CO 0.05 -1.16 1.69 1.63 0.02 0.00 0.00 175.30 177.53 1r89 n LYS 381 N -1.59 1.66 -3.72 3.54 5.02 -1.26 -4.91 118.16 116.90 1r89 n LYS 381 Ca 0.13 -1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 55.29 1r89 n LYS 381 Cb 0.50 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 1r89 n LYS 381 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1r89 s PHE 382 N -2.04 -0.20 0.00 2.13 -0.12 -1.26 -5.01 117.98 111.48 1r89 s PHE 382 Ca 0.36 0.18 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 1r89 s PHE 382 Cb 0.21 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1r89 s PHE 382 CO 0.35 -0.50 0.24 0.25 -0.05 0.00 0.00 175.22 175.51 1r89 n THR 383 N 0.75 0.00 -4.43 -4.49 -2.24 -1.26 -4.94 114.28 97.67 1r89 n THR 383 Ca -0.19 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 60.99 1r89 n THR 383 Cb 0.59 1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 69.92 1r89 n THR 383 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1r89 s THR 384 N -0.20 2.31 0.31 4.28 -4.23 -1.26 -0.84 115.64 116.00 1r89 s THR 384 Ca 0.00 -2.17 0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1r89 s THR 384 Cb 0.00 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.82 1r89 s THR 384 CO 0.00 -0.27 1.83 1.55 -0.54 0.00 0.00 174.62 177.18 1r89 h PRO 385 N 2.82 0.55 -0.75 3.99 0.13 -1.79 -1.06 132.00 135.89 1r89 h PRO 385 Ca -0.43 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 1r89 h PRO 385 Cb 1.23 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1r89 h PRO 385 CO 0.54 0.62 0.45 0.93 -0.23 0.00 0.00 178.00 180.30 1r89 h GLU 386 N 0.52 1.02 -0.31 0.86 3.07 -1.95 0.32 114.58 118.10 1r89 h GLU 386 Ca 0.10 -0.10 -0.14 0.00 -0.50 0.00 0.00 59.36 58.73 1r89 h GLU 386 Cb 0.42 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1r89 h GLU 386 CO 0.02 0.72 -0.38 0.93 -1.40 0.00 0.00 179.01 178.91 1r89 h GLU 387 N 1.02 0.73 -0.26 2.33 5.08 -1.88 -1.40 114.58 120.20 1r89 h GLU 387 Ca 0.27 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1r89 h GLU 387 Cb -0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1r89 h GLU 387 CO -0.05 0.99 0.09 0.78 -1.00 0.00 0.00 179.01 179.82 1r89 h GLY 388 N 0.94 0.43 1.48 -3.84 0.00 -0.78 -2.51 103.07 98.79 1r89 h GLY 388 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1r89 h GLY 388 CO 0.08 0.23 -0.26 -2.08 0.00 0.00 0.00 176.54 174.51 1r89 h VAL 389 N 0.27 1.27 -0.61 4.60 2.07 -0.84 0.43 116.25 123.44 1r89 h VAL 389 Ca 0.09 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.35 1r89 h VAL 389 Cb 0.21 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1r89 h VAL 389 CO -0.01 0.43 0.29 -0.09 0.02 0.00 0.00 177.57 178.21 1r89 h ARG 390 N 0.52 0.51 -0.19 1.57 2.43 -1.16 0.59 114.38 118.65 1r89 h ARG 390 Ca 0.07 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1r89 h ARG 390 Cb 0.72 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1r89 h ARG 390 CO 0.06 0.34 0.04 1.03 -1.51 0.00 0.00 179.97 179.93 1r89 h SER 391 N 0.53 0.29 -0.23 -3.80 0.87 -1.08 -2.50 113.55 107.62 1r89 h SER 391 Ca 0.29 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1r89 h SER 391 Cb 0.26 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1r89 h SER 391 CO -0.23 0.45 0.12 0.22 -0.53 0.00 0.00 176.83 176.86 1r89 h TYR 392 N 0.11 0.33 0.00 2.24 3.20 -0.64 -2.33 116.97 119.88 1r89 h TYR 392 Ca 0.06 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 1r89 h TYR 392 Cb 0.28 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1r89 h TYR 392 CO 0.01 0.31 -0.35 0.00 -1.64 0.00 0.00 178.16 176.49 1r89 h ALA 393 N 0.99 1.17 -0.10 1.82 0.00 -0.96 0.29 119.26 122.47 1r89 h ALA 393 Ca 0.08 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1r89 h ALA 393 Cb 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1r89 h ALA 393 CO -0.01 0.44 -0.52 0.77 0.00 0.00 0.00 179.25 179.93 1r89 h SER 394 N 0.00 0.31 0.00 0.00 0.02 -1.23 -3.26 113.55 109.40 1r89 h SER 394 Ca -0.00 -0.16 -0.27 0.00 -0.84 0.00 0.00 61.79 60.52 1r89 h SER 394 Cb 0.74 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1r89 h SER 394 CO 0.05 0.78 -2.02 0.41 -1.14 0.00 0.00 176.83 174.90 1r89 n THR 395 N -3.94 1.02 -1.37 -2.27 -1.04 -0.90 -4.65 114.28 101.13 1r89 n THR 395 Ca -0.02 -0.57 0.03 0.00 -2.04 0.00 0.00 64.05 61.45 1r89 n THR 395 Cb 0.56 -0.74 0.20 0.00 -1.82 0.00 0.00 70.33 68.53 1r89 n THR 395 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1r89 n HIS 396 N -2.66 0.58 0.32 -1.42 -0.00 0.10 -4.65 115.22 107.49 1r89 n HIS 396 Ca -0.26 -1.37 0.19 0.00 -0.00 0.00 0.00 57.72 56.28 1r89 n HIS 396 Cb 0.95 -0.34 1.08 0.00 -0.00 0.00 0.00 29.99 31.68 1r89 n HIS 396 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.34 176.45 1r89 h TRP 397 N 0.95 0.00 0.00 4.41 5.08 -1.70 -1.84 115.95 122.85 1r89 h TRP 397 Ca 0.09 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.06 1r89 h TRP 397 Cb 1.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.49 1r89 h TRP 397 CO 0.71 0.00 0.00 -2.39 -1.28 0.00 0.00 178.44 175.48 1r89 n HIS 398 N -3.41 0.55 0.37 0.12 1.44 -1.26 -2.06 115.22 110.96 1r89 n HIS 398 Ca -0.03 0.25 0.08 0.00 -2.01 0.00 0.00 57.72 56.01 1r89 n HIS 398 Cb 0.09 -0.91 0.12 0.00 0.12 0.00 0.00 29.99 29.41 1r89 n HIS 398 CO 0.00 0.00 0.00 -2.37 -2.81 0.00 0.00 176.34 171.16 1r89 n THR 399 N -2.04 0.32 -0.75 0.61 5.66 -0.69 -4.63 114.28 112.77 1r89 n THR 399 Ca 0.01 -0.66 0.01 0.00 -3.05 0.00 0.00 64.05 60.35 1r89 n THR 399 Cb 0.11 1.06 0.32 0.00 -1.55 0.00 0.00 70.33 70.27 1r89 n THR 399 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1r89 n LEU 400 N 0.91 5.46 0.00 1.09 4.77 -0.88 -4.82 117.00 123.54 1r89 n LEU 400 Ca 0.12 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 1r89 n LEU 400 Cb 0.43 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1r89 n LEU 400 CO 0.10 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1r89 n GLY 401 N 0.25 2.01 0.28 -0.72 0.00 -1.26 -3.48 105.19 102.26 1r89 n GLY 401 Ca 0.31 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 1r89 n GLY 401 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r89 h LYS 402 N 0.00 -0.35 0.11 1.61 3.64 -1.93 -0.48 116.57 119.17 1r89 h LYS 402 Ca 0.00 0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.06 1r89 h LYS 402 Cb 0.00 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1r89 h LYS 402 CO 0.00 -0.23 -1.90 0.09 -2.27 0.00 0.00 179.45 175.13 1r89 n ASN 403 N -5.37 2.09 -0.12 4.20 4.13 -1.26 -2.84 115.26 116.10 1r89 n ASN 403 Ca -0.04 0.24 -0.07 0.00 1.68 0.00 0.00 54.58 56.39 1r89 n ASN 403 Cb 0.28 -0.88 0.01 0.00 -1.54 0.00 0.00 39.78 37.65 1r89 n ASN 403 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1r89 h VAL 404 N -0.07 0.99 -0.41 2.41 2.07 -1.79 -1.28 116.25 118.17 1r89 h VAL 404 Ca -0.42 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 1r89 h VAL 404 Cb 1.94 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1r89 h VAL 404 CO 0.05 0.07 -0.28 1.23 0.02 0.00 0.00 177.57 178.66 1r89 h GLY 405 N 0.40 0.95 1.30 2.17 0.00 -1.11 -1.66 103.07 105.12 1r89 h GLY 405 Ca 0.16 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1r89 h GLY 405 CO -0.11 0.79 0.41 0.83 0.00 0.00 0.00 176.54 178.47 1r89 h GLU 406 N 0.74 0.93 -0.15 4.80 5.08 -1.42 -0.39 114.58 124.18 1r89 h GLU 406 Ca 0.09 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1r89 h GLU 406 Cb 0.84 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1r89 h GLU 406 CO 0.07 0.65 0.01 1.03 -1.00 0.00 0.00 179.01 179.77 1r89 h SER 407 N 0.95 0.25 -0.67 1.42 0.87 -0.82 -2.89 113.55 112.66 1r89 h SER 407 Ca 0.25 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1r89 h SER 407 Cb -0.04 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1r89 h SER 407 CO -0.05 0.49 0.44 0.40 -0.53 0.00 0.00 176.83 177.58 1r89 h ILE 408 N 0.01 1.06 -0.83 2.23 2.04 -0.98 -1.13 117.51 119.91 1r89 h ILE 408 Ca 0.04 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1r89 h ILE 408 Cb 0.36 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1r89 h ILE 408 CO 0.01 0.14 0.51 -0.09 0.00 0.00 0.00 178.15 178.71 1r89 h ARG 409 N 0.74 0.90 -0.04 2.37 2.43 -0.91 -2.89 114.38 116.99 1r89 h ARG 409 Ca 0.28 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.20 1r89 h ARG 409 Cb 0.16 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1r89 h ARG 409 CO -0.08 0.59 -0.81 0.93 -1.51 0.00 0.00 179.97 179.09 1r89 h GLU 410 N 0.92 0.35 -1.21 0.20 5.08 -1.04 -3.46 114.58 115.42 1r89 h GLU 410 Ca 0.36 -0.32 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 1r89 h GLU 410 Cb 0.17 0.08 -0.30 0.00 0.50 0.00 0.00 28.75 29.20 1r89 h GLU 410 CO -0.17 0.99 0.58 -0.47 -1.00 0.00 0.00 179.01 178.93 1r89 s TYR 411 N -3.44 -0.29 0.16 4.33 6.14 -0.70 -5.13 117.35 118.42 1r89 s TYR 411 Ca -0.05 0.57 -0.11 0.00 0.64 0.00 0.00 57.07 58.12 1r89 s TYR 411 Cb 0.10 0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.65 1r89 s TYR 411 CO 0.84 -0.14 0.32 -0.59 0.64 0.00 0.00 175.55 176.62 1r89 s PHE 412 N 1.25 0.24 -0.00 4.97 -0.12 -1.25 -4.13 117.98 118.94 1r89 s PHE 412 Ca -0.08 -0.60 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 1r89 s PHE 412 Cb -0.03 0.04 -0.00 0.00 -0.63 0.00 0.00 43.02 42.40 1r89 s PHE 412 CO -0.12 -0.73 -0.05 -2.00 -0.05 0.00 0.00 175.22 172.27 1r89 s GLU 413 N -3.93 0.40 -0.24 1.99 2.12 -0.09 -4.98 118.70 113.97 1r89 s GLU 413 Ca 0.13 -0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 1r89 s GLU 413 Cb 0.03 -0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 1r89 s GLU 413 CO -0.03 0.10 0.27 0.42 -0.54 0.00 0.00 175.26 175.48 1r89 s ILE 414 N -0.19 5.27 -0.08 -3.70 -1.09 -1.26 -0.20 121.20 119.95 1r89 s ILE 414 Ca 0.01 0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.86 1r89 s ILE 414 Cb -0.02 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1r89 s ILE 414 CO -0.00 0.27 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.14 1r89 s ILE 415 N 1.44 2.38 0.15 2.92 1.01 -0.12 -4.96 121.20 124.02 1r89 s ILE 415 Ca 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1r89 s ILE 415 Cb -0.15 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1r89 s ILE 415 CO 0.08 0.56 -0.02 -0.44 0.00 0.00 0.00 174.94 175.12 1r89 s SER 416 N 0.03 1.15 0.00 3.58 0.01 -1.26 -0.91 113.70 116.30 1r89 s SER 416 Ca -0.08 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1r89 s SER 416 Cb -0.15 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1r89 s SER 416 CO 0.05 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1r89 n GLY 417 N -0.17 -0.50 0.34 3.44 0.00 -1.26 -3.26 105.19 103.78 1r89 n GLY 417 Ca -0.08 -1.27 0.19 0.00 0.00 0.00 0.00 46.02 44.86 1r89 n GLY 417 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r89 h GLU 418 N 0.00 0.00 0.05 1.61 4.39 -2.00 -1.77 114.58 116.86 1r89 h GLU 418 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r89 h GLU 418 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1r89 h GLU 418 CO 0.00 0.00 -0.02 0.87 -1.16 0.00 0.00 179.01 178.70 1r89 h LYS 419 N 0.00 -0.06 -0.97 2.33 6.56 -1.98 -3.15 116.57 119.31 1r89 h LYS 419 Ca 0.02 0.00 0.14 0.00 -1.06 0.00 0.00 60.65 59.75 1r89 h LYS 419 Cb 0.31 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 31.90 1r89 h LYS 419 CO -0.00 0.51 0.61 1.25 -2.06 0.00 0.00 179.45 179.76 1r89 h LEU 420 N -0.69 0.82 -1.53 2.94 5.85 -1.31 -1.88 115.31 119.51 1r89 h LEU 420 Ca -0.01 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1r89 h LEU 420 Cb 0.60 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1r89 h LEU 420 CO 0.01 0.41 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.07 1r89 h PHE 421 N 0.87 0.00 0.00 1.25 0.05 -1.52 -2.39 116.94 115.19 1r89 h PHE 421 Ca 0.49 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.26 1r89 h PHE 421 Cb 0.62 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.57 1r89 h PHE 421 CO -0.00 0.19 -0.10 0.87 -0.18 0.00 0.00 178.31 179.09 1r89 h LYS 422 N 0.00 0.00 -7.33 1.51 1.57 -1.29 -3.44 116.57 107.58 1r89 h LYS 422 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1r89 h LYS 422 Cb 0.54 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.91 1r89 h LYS 422 CO 0.02 0.10 0.40 -1.21 -0.57 0.00 0.00 179.45 178.20 1r89 s GLU 423 N -4.10 3.50 -1.58 3.15 0.41 -0.90 -4.94 118.70 114.24 1r89 s GLU 423 Ca -0.02 0.82 -0.10 0.00 -0.41 0.00 0.00 54.97 55.26 1r89 s GLU 423 Cb 0.12 -2.07 -0.05 0.00 -1.78 0.00 0.00 34.13 30.36 1r89 s GLU 423 CO 0.56 -0.65 2.79 -0.35 -0.49 0.00 0.00 175.26 177.13 1r89 n PRO 424 N -2.68 3.61 0.00 0.39 -0.05 -1.26 -4.06 135.00 130.94 1r89 n PRO 424 Ca 0.06 -2.36 0.00 0.00 -0.05 0.00 0.00 63.50 61.15 1r89 n PRO 424 Cb 0.54 -2.88 0.00 0.00 -0.05 0.00 0.00 33.50 31.11 1r89 n PRO 424 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 175.50 176.78 1r89 n VAL 425 N 3.73 0.00 -0.34 0.52 0.24 -1.26 -4.86 118.33 116.36 1r89 n VAL 425 Ca 0.73 -0.14 -0.03 0.00 -2.04 0.00 0.00 64.34 62.86 1r89 n VAL 425 Cb 0.26 1.52 0.09 0.00 -1.47 0.00 0.00 33.84 34.24 1r89 n VAL 425 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1r89 h THR 426 N 0.52 1.25 -0.29 3.34 1.35 -1.86 0.35 112.91 117.57 1r89 h THR 426 Ca 0.00 -0.53 0.07 0.00 -0.55 0.00 0.00 66.41 65.39 1r89 h THR 426 Cb 0.26 -0.06 -0.07 0.00 -1.73 0.00 0.00 68.15 66.55 1r89 h THR 426 CO 0.00 0.26 -0.16 0.00 -0.25 0.00 0.00 175.52 175.37 1r89 h ALA 427 N 1.31 0.06 -0.29 6.62 0.00 -1.94 -1.00 119.26 124.02 1r89 h ALA 427 Ca 0.33 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1r89 h ALA 427 Cb -0.07 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r89 h ALA 427 CO -0.06 -0.55 -0.24 0.93 0.00 0.00 0.00 179.25 179.32 1r89 h GLU 428 N -0.12 0.57 -0.43 0.00 3.07 -1.56 -1.97 114.58 114.13 1r89 h GLU 428 Ca 0.15 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1r89 h GLU 428 Cb 0.35 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1r89 h GLU 428 CO -0.36 0.77 0.15 -0.07 -1.40 0.00 0.00 179.01 178.09 1r89 h LEU 429 N 0.50 0.62 -0.69 1.33 3.38 -0.66 -0.78 115.31 119.01 1r89 h LEU 429 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1r89 h LEU 429 Cb 0.69 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1r89 h LEU 429 CO 0.05 0.65 0.31 0.00 0.09 0.00 0.00 178.44 179.53 1r89 h GLU 431 N 0.97 0.30 -0.88 0.00 4.57 -1.27 -0.71 114.58 117.56 1r89 h GLU 431 Ca 0.23 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.45 1r89 h GLU 431 Cb 0.16 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.65 1r89 h GLU 431 CO -0.02 0.48 0.57 1.98 -1.18 0.00 0.00 179.01 180.83 1r89 h MET 432 N 0.08 0.72 -0.01 1.92 4.05 -0.85 -1.94 114.93 118.90 1r89 h MET 432 Ca 0.05 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1r89 h MET 432 Cb 0.33 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1r89 h MET 432 CO 0.00 0.48 -0.23 -1.33 0.23 0.00 0.00 176.91 176.06 1r89 n MET 433 N -4.55 1.12 -2.81 0.39 2.81 -0.63 -4.91 117.12 108.55 1r89 n MET 433 Ca 0.16 -0.73 -0.13 0.00 -1.81 0.00 0.00 57.70 55.20 1r89 n MET 433 Cb 0.41 -1.48 0.03 0.00 -0.71 0.00 0.00 33.22 31.47 1r89 n MET 433 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r89 n GLY 434 N 1.32 0.05 3.72 3.03 0.00 -0.72 -4.97 105.19 107.62 1r89 n GLY 434 Ca 0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1r89 n GLY 434 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r89 s VAL 435 N -2.98 3.17 0.81 1.61 1.01 -0.35 -5.02 120.40 118.65 1r89 s VAL 435 Ca 0.22 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1r89 s VAL 435 Cb -0.10 -3.55 0.12 0.00 0.00 0.00 0.00 36.38 32.86 1r89 s VAL 435 CO 0.27 0.07 1.14 -0.54 0.00 0.00 0.00 175.10 176.04 1r89 s LYS 436 N 0.94 1.57 0.00 2.72 1.02 -1.26 -4.86 119.74 119.87 1r89 s LYS 436 Ca 0.64 -0.37 0.24 0.00 0.02 0.00 0.00 55.97 56.51 1r89 s LYS 436 Cb -0.38 -2.05 1.46 0.00 -0.52 0.00 0.00 37.83 36.34 1r89 s LYS 436 CO 0.32 -1.72 1.82 -3.47 -0.92 0.00 0.00 175.35 171.38