#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjf s PHE 4 N 0.00 3.42 -0.05 0.00 2.19 -0.33 -4.91 117.98 118.31 1mjf s PHE 4 Ca 0.00 0.35 0.02 0.00 0.33 0.00 0.00 56.93 57.63 1mjf s PHE 4 Cb 0.00 -1.99 0.01 0.00 -1.31 0.00 0.00 43.02 39.74 1mjf s PHE 4 CO 0.00 0.49 -0.09 0.42 1.83 0.00 0.00 175.22 177.87 1mjf s ILE 5 N -0.46 0.86 -0.27 3.12 1.01 -1.26 -0.87 121.20 123.33 1mjf s ILE 5 Ca 0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.31 1mjf s ILE 5 Cb -0.12 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.50 1mjf s ILE 5 CO 0.02 0.29 0.18 -0.70 0.00 0.00 0.00 174.94 174.72 1mjf s GLU 6 N 0.60 3.98 -0.04 2.79 2.12 -0.44 -4.96 118.70 122.75 1mjf s GLU 6 Ca -0.10 -0.31 -0.15 0.00 0.36 0.00 0.00 54.97 54.76 1mjf s GLU 6 Cb -0.13 -3.63 -0.05 0.00 0.26 0.00 0.00 34.13 30.57 1mjf s GLU 6 CO 0.02 -0.12 0.40 -1.58 -0.54 0.00 0.00 175.26 173.44 1mjf s TRP 7 N 1.59 3.66 0.44 5.30 0.52 -1.26 -1.62 118.94 127.56 1mjf s TRP 7 Ca 0.07 0.92 0.06 0.00 0.02 0.00 0.00 56.10 57.18 1mjf s TRP 7 Cb -0.15 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1mjf s TRP 7 CO 0.09 0.52 0.16 0.71 0.02 0.00 0.00 176.95 178.45 1mjf s TYR 8 N -0.60 2.42 0.36 -1.98 1.51 0.54 -5.01 117.35 114.60 1mjf s TYR 8 Ca 0.23 -0.66 -0.25 0.00 -1.01 0.00 0.00 57.07 55.38 1mjf s TYR 8 Cb -0.16 -1.89 -0.13 0.00 -0.11 0.00 0.00 41.96 39.67 1mjf s TYR 8 CO 0.12 0.16 0.76 -2.30 -1.11 0.00 0.00 175.55 173.18 1mjf n PRO 9 N -1.25 0.88 -1.18 -1.71 -0.02 -1.26 -2.27 135.00 128.18 1mjf n PRO 9 Ca -0.04 0.31 -0.06 0.00 -2.02 0.00 0.00 63.50 61.69 1mjf n PRO 9 Cb 0.65 -1.65 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1mjf n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1mjf n ARG 10 N 0.58 -0.87 -2.17 -0.52 1.74 -1.26 -3.68 116.66 110.48 1mjf n ARG 10 Ca 0.11 0.62 -0.08 0.00 -0.77 0.00 0.00 57.85 57.73 1mjf n ARG 10 Cb 0.36 -4.50 -0.00 0.00 -1.02 0.00 0.00 32.46 27.30 1mjf n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mjf n GLY 11 N -1.36 0.05 3.81 -0.13 0.00 -0.96 -5.04 105.19 101.56 1mjf n GLY 11 Ca -0.06 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1mjf n GLY 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1mjf s TYR 12 N -2.41 3.76 -0.01 1.61 5.04 -1.23 -4.91 117.35 119.20 1mjf s TYR 12 Ca 0.01 1.40 0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1mjf s TYR 12 Cb -0.00 -2.61 -0.00 0.00 0.35 0.00 0.00 41.96 39.70 1mjf s TYR 12 CO 0.01 0.46 -0.07 0.20 -1.34 0.00 0.00 175.55 174.81 1mjf s GLY 13 N -1.37 0.33 -0.25 8.97 0.00 -1.26 -0.34 107.32 113.41 1mjf s GLY 13 Ca 0.37 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 1mjf s GLY 13 CO 0.22 -0.20 0.10 0.14 0.00 0.00 0.00 173.10 173.35 1mjf s VAL 14 N -0.10 4.60 0.04 1.40 1.01 -0.64 -4.96 120.40 121.75 1mjf s VAL 14 Ca 0.02 -0.08 0.09 0.00 0.00 0.00 0.00 61.98 62.01 1mjf s VAL 14 Cb -0.03 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1mjf s VAL 14 CO -0.00 0.34 -0.26 0.00 0.00 0.00 0.00 175.10 175.17 1mjf s ALA 15 N 1.47 2.20 -0.06 5.51 0.00 -1.26 -1.32 121.76 128.31 1mjf s ALA 15 Ca 0.06 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.80 1mjf s ALA 15 Cb -0.15 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1mjf s ALA 15 CO 0.05 0.52 -0.09 -0.06 0.00 0.00 0.00 175.76 176.19 1mjf s PHE 16 N -0.78 1.13 0.31 0.00 0.08 -0.05 -5.00 117.98 113.66 1mjf s PHE 16 Ca 0.11 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 1mjf s PHE 16 Cb -0.10 -0.88 -0.11 0.00 -0.57 0.00 0.00 43.02 41.36 1mjf s PHE 16 CO 0.02 -0.24 1.47 0.15 -0.10 0.00 0.00 175.22 176.52 1mjf s LYS 17 N 0.79 4.21 0.05 0.44 1.02 -1.26 -1.19 119.74 123.79 1mjf s LYS 17 Ca -0.13 2.43 0.09 0.00 0.02 0.00 0.00 55.97 58.37 1mjf s LYS 17 Cb -0.15 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 1mjf s LYS 17 CO 0.02 -0.46 -0.25 0.96 -0.92 0.00 0.00 175.35 174.70 1mjf s ILE 18 N -0.48 1.99 0.02 2.17 -4.36 -1.26 -1.62 121.20 117.66 1mjf s ILE 18 Ca 0.57 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 59.47 1mjf s ILE 18 Cb -0.44 -1.71 -0.35 0.00 1.25 0.00 0.00 42.46 41.21 1mjf s ILE 18 CO 0.51 0.31 0.96 0.11 0.24 0.00 0.00 174.94 177.07 1mjf h LYS 19 N 4.81 0.51 -1.53 0.37 1.57 -1.04 -3.44 116.57 117.82 1mjf h LYS 19 Ca -0.45 -0.88 0.08 0.00 -1.87 0.00 0.00 60.65 57.53 1mjf h LYS 19 Cb 1.15 0.33 -0.27 0.00 0.08 0.00 0.00 32.23 33.52 1mjf h LYS 19 CO 0.44 1.42 0.52 0.21 -0.57 0.00 0.00 179.45 181.47 1mjf s LYS 20 N -2.58 0.46 -0.07 3.15 2.47 -1.04 -5.01 119.74 117.11 1mjf s LYS 20 Ca -0.10 0.48 -0.28 0.00 -1.56 0.00 0.00 55.97 54.51 1mjf s LYS 20 Cb 0.04 0.22 -0.02 0.00 -1.46 0.00 0.00 37.83 36.61 1mjf s LYS 20 CO 0.93 -0.07 0.90 0.21 0.16 0.00 0.00 175.35 177.48 1mjf s LYS 21 N 0.03 4.46 0.00 4.03 2.20 -1.26 -0.34 119.74 128.85 1mjf s LYS 21 Ca 0.03 1.23 0.02 0.00 -0.36 0.00 0.00 55.97 56.89 1mjf s LYS 21 Cb -0.04 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 1mjf s LYS 21 CO -0.06 -0.13 0.19 0.44 -0.36 0.00 0.00 175.35 175.43 1mjf n ILE 22 N 4.17 0.00 -3.56 5.43 -5.35 -0.37 -4.95 119.36 114.72 1mjf n ILE 22 Ca 0.05 -0.46 -0.15 0.00 -0.27 0.00 0.00 62.75 61.91 1mjf n ILE 22 Cb 0.50 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.35 1mjf n ILE 22 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1mjf s TYR 23 N -0.96 -0.60 -0.18 4.28 5.04 -1.14 -4.96 117.35 118.82 1mjf s TYR 23 Ca 0.01 1.16 -0.13 0.00 -2.44 0.00 0.00 57.07 55.67 1mjf s TYR 23 Cb 0.02 0.39 0.06 0.00 0.35 0.00 0.00 41.96 42.77 1mjf s TYR 23 CO 0.07 -0.48 0.46 -2.00 -1.34 0.00 0.00 175.55 172.25 1mjf s GLU 24 N -0.80 0.48 -0.13 4.97 2.12 -1.26 -1.93 118.70 122.15 1mjf s GLU 24 Ca -0.06 0.77 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 1mjf s GLU 24 Cb -0.01 0.10 0.04 0.00 0.26 0.00 0.00 34.13 34.52 1mjf s GLU 24 CO 0.05 -0.12 0.32 0.21 -0.54 0.00 0.00 175.26 175.19 1mjf s LYS 25 N 0.96 0.34 -0.51 4.30 2.20 -0.49 -5.01 119.74 121.53 1mjf s LYS 25 Ca -0.06 0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 55.86 1mjf s LYS 25 Cb -0.06 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1mjf s LYS 25 CO -0.08 -0.10 0.91 -1.17 -0.36 0.00 0.00 175.35 174.55 1mjf s LEU 26 N 0.74 4.11 0.00 5.43 2.96 -1.26 -0.60 118.68 130.06 1mjf s LEU 26 Ca -0.05 -0.21 -0.11 0.00 -0.22 0.00 0.00 54.13 53.55 1mjf s LEU 26 Cb -0.06 -2.93 0.19 0.00 0.50 0.00 0.00 46.19 43.89 1mjf s LEU 26 CO -0.05 -1.13 1.16 -1.54 -1.32 0.00 0.00 176.35 173.46 1mjf n SER 27 N 7.26 0.50 0.31 3.68 3.41 -0.14 -4.96 113.62 123.68 1mjf n SER 27 Ca 0.03 -1.67 0.19 0.00 -0.26 0.00 0.00 58.87 57.16 1mjf n SER 27 Cb 0.48 -0.85 1.02 0.00 -0.26 0.00 0.00 64.21 64.60 1mjf n SER 27 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1mjf h LYS 28 N 0.00 0.00 0.00 4.33 3.64 -2.00 -3.27 116.57 119.26 1mjf h LYS 28 Ca -0.38 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1mjf h LYS 28 Cb 1.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1mjf h LYS 28 CO 0.31 0.02 -1.12 0.66 -2.27 0.00 0.00 179.45 177.04 1mjf n TYR 29 N -3.36 0.00 -3.58 1.91 4.01 -1.26 -5.11 117.16 109.78 1mjf n TYR 29 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 1mjf n TYR 29 Cb 0.12 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1mjf n TYR 29 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 1mjf s GLN 30 N -2.17 0.51 -0.22 -0.72 -2.07 -1.24 -5.07 119.66 108.68 1mjf s GLN 30 Ca -0.01 -0.20 -0.29 0.00 -1.82 0.00 0.00 55.36 53.04 1mjf s GLN 30 Cb 0.02 0.22 0.01 0.00 -1.09 0.00 0.00 33.01 32.17 1mjf s GLN 30 CO 0.11 -0.22 1.02 0.21 -1.32 0.00 0.00 175.29 175.09 1mjf s LYS 31 N -2.67 4.27 -0.18 9.60 2.20 -1.26 -0.97 119.74 130.73 1mjf s LYS 31 Ca 0.08 1.34 -0.07 0.00 -0.36 0.00 0.00 55.97 56.96 1mjf s LYS 31 Cb -0.01 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1mjf s LYS 31 CO -0.06 -0.59 0.07 0.42 -0.36 0.00 0.00 175.35 174.83 1mjf s ILE 32 N 3.05 4.85 0.00 5.43 1.01 0.23 -0.83 121.20 134.94 1mjf s ILE 32 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1mjf s ILE 32 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 1mjf s ILE 32 CO 0.07 0.47 -0.02 -1.61 0.00 0.00 0.00 174.94 173.86 1mjf s GLU 33 N 0.23 0.17 -0.03 2.79 2.02 -0.18 -1.40 118.70 122.30 1mjf s GLU 33 Ca 0.04 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 54.90 1mjf s GLU 33 Cb -0.12 -0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.02 1mjf s GLU 33 CO 0.00 0.02 -0.18 0.08 0.02 0.00 0.00 175.26 175.20 1mjf s VAL 34 N -0.34 1.46 0.06 2.63 1.01 -0.81 -0.70 120.40 123.70 1mjf s VAL 34 Ca -0.03 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1mjf s VAL 34 Cb -0.03 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1mjf s VAL 34 CO -0.00 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.00 1mjf s TYR 35 N -0.14 1.79 -0.34 5.22 1.51 -0.45 -1.24 117.35 123.70 1mjf s TYR 35 Ca 0.00 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 1mjf s TYR 35 Cb -0.10 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.71 1mjf s TYR 35 CO 0.01 0.12 0.62 -2.00 -1.11 0.00 0.00 175.55 173.19 1mjf s GLU 36 N -1.36 3.74 0.58 -0.62 2.56 0.53 -0.70 118.70 123.43 1mjf s GLU 36 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 54.97 55.09 1mjf s GLU 36 Cb -0.09 -3.78 0.01 0.00 2.00 0.00 0.00 34.13 32.27 1mjf s GLU 36 CO 0.02 -0.67 0.88 0.95 -0.56 0.00 0.00 175.26 175.87 1mjf s THR 37 N 2.64 3.57 0.09 -1.70 -4.23 0.09 -0.55 115.64 115.55 1mjf s THR 37 Ca 0.24 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.49 1mjf s THR 37 Cb -0.15 -3.41 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 1mjf s THR 37 CO 0.14 -0.40 1.39 -0.33 -0.54 0.00 0.00 174.62 174.87 1mjf h GLU 38 N -0.13 0.64 0.00 3.99 4.39 -1.58 -3.40 114.58 118.49 1mjf h GLU 38 Ca -0.45 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 58.89 1mjf h GLU 38 Cb 1.26 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1mjf h GLU 38 CO 0.60 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.82 1mjf n GLY 39 N 0.24 -0.35 0.46 -3.84 0.00 -1.26 -4.80 105.19 95.64 1mjf n GLY 39 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1mjf n GLY 39 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1mjf n PHE 40 N -0.10 0.00 -4.50 1.61 3.01 -1.26 -4.99 117.46 111.23 1mjf n PHE 40 Ca 0.00 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.55 1mjf n PHE 40 Cb 0.08 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1mjf n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mjf n GLY 41 N -0.87 1.06 3.86 1.37 0.00 -1.26 -2.13 105.19 107.22 1mjf n GLY 41 Ca 0.13 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1mjf n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mjf s ARG 42 N 0.00 3.82 -0.18 1.61 0.52 -1.26 -0.74 118.95 122.72 1mjf s ARG 42 Ca 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 55.73 55.44 1mjf s ARG 42 Cb 0.00 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1mjf s ARG 42 CO 0.00 0.60 -0.07 -1.17 0.02 0.00 0.00 175.30 174.68 1mjf s LEU 43 N -1.65 2.94 -0.23 2.53 0.20 0.12 -1.09 118.68 121.50 1mjf s LEU 43 Ca 0.30 -0.31 -0.13 0.00 0.69 0.00 0.00 54.13 54.69 1mjf s LEU 43 Cb -0.15 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 1mjf s LEU 43 CO 0.16 0.08 0.26 -0.22 -0.29 0.00 0.00 176.35 176.34 1mjf s LEU 44 N 0.87 4.12 -0.03 -0.68 2.96 -0.82 -1.34 118.68 123.77 1mjf s LEU 44 Ca -0.02 0.27 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 1mjf s LEU 44 Cb -0.15 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 1mjf s LEU 44 CO 0.01 -0.00 -0.26 0.00 -1.32 0.00 0.00 176.35 174.78 1mjf s ALA 45 N 1.21 2.16 -0.17 5.97 0.00 0.12 -0.41 121.76 130.65 1mjf s ALA 45 Ca 0.12 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1mjf s ALA 45 Cb -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1mjf s ALA 45 CO 0.06 0.49 -0.17 -0.51 0.00 0.00 0.00 175.76 175.64 1mjf s LEU 46 N -0.47 1.92 -1.58 0.00 1.43 -0.51 -1.01 118.68 118.47 1mjf s LEU 46 Ca 0.06 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1mjf s LEU 46 Cb -0.11 -1.33 0.11 0.00 0.03 0.00 0.00 46.19 44.88 1mjf s LEU 46 CO 0.00 -0.03 0.91 0.47 0.23 0.00 0.00 176.35 177.94 1mjf n ASP 47 N 4.69 -4.40 0.00 2.29 8.00 -0.01 -1.65 116.55 125.48 1mjf n ASP 47 Ca -0.19 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1mjf n ASP 47 Cb 0.50 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1mjf n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mjf n GLY 48 N -1.59 0.45 3.71 0.44 0.00 -1.26 -5.01 105.19 101.93 1mjf n GLY 48 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1mjf n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mjf s THR 49 N -2.09 4.86 0.03 2.61 -4.23 -0.66 -4.61 115.64 111.57 1mjf s THR 49 Ca 0.00 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.18 1mjf s THR 49 Cb 0.00 -3.14 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 1mjf s THR 49 CO 0.00 0.54 1.68 -0.69 -0.54 0.00 0.00 174.62 175.61 1mjf s VAL 50 N -0.28 3.18 -0.15 2.29 1.01 -1.26 -1.42 120.40 123.77 1mjf s VAL 50 Ca 0.09 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.44 1mjf s VAL 50 Cb -0.12 -3.32 -0.24 0.00 0.00 0.00 0.00 36.38 32.70 1mjf s VAL 50 CO 0.01 -0.02 0.33 1.56 0.00 0.00 0.00 175.10 176.99 1mjf h GLN 51 N 8.85 0.18 -2.23 2.72 1.08 -1.10 -3.48 115.11 121.14 1mjf h GLN 51 Ca -0.42 -0.30 0.08 0.00 -1.45 0.00 0.00 58.65 56.55 1mjf h GLN 51 Cb 1.20 0.11 -0.16 0.00 -0.05 0.00 0.00 27.48 28.58 1mjf h GLN 51 CO 0.94 1.15 0.45 -0.48 -0.95 0.00 0.00 178.83 179.93 1mjf s LEU 52 N -7.37 -0.41 -0.04 1.46 0.05 -1.22 -5.01 118.68 106.14 1mjf s LEU 52 Ca -0.24 0.11 0.05 0.00 0.05 0.00 0.00 54.13 54.10 1mjf s LEU 52 Cb 0.06 2.10 -0.02 0.00 -2.05 0.00 0.00 46.19 46.28 1mjf s LEU 52 CO 0.71 -0.62 -0.20 0.68 -0.55 0.00 0.00 176.35 176.37 1mjf s VAL 53 N -2.74 2.53 0.29 1.48 -7.23 -1.26 -1.94 120.40 111.53 1mjf s VAL 53 Ca 0.02 -0.92 0.19 0.00 -1.81 0.00 0.00 61.98 59.47 1mjf s VAL 53 Cb -0.01 -1.95 0.17 0.00 0.56 0.00 0.00 36.38 35.15 1mjf s VAL 53 CO -0.07 0.58 1.85 0.71 -0.31 0.00 0.00 175.10 177.87 1mjf h THR 54 N 4.56 0.90 -3.33 5.32 1.35 -1.04 -0.94 112.91 119.73 1mjf h THR 54 Ca -0.42 -1.17 -0.77 0.00 -0.55 0.00 0.00 66.41 63.50 1mjf h THR 54 Cb 1.15 1.69 -0.24 0.00 -1.73 0.00 0.00 68.15 69.02 1mjf h THR 54 CO 0.49 0.29 0.47 -0.76 -0.25 0.00 0.00 175.52 175.76 1mjf s LEU 55 N -7.45 6.17 0.00 3.87 1.43 -0.90 -4.31 118.68 117.49 1mjf s LEU 55 Ca -0.02 -2.88 0.00 0.00 -1.03 0.00 0.00 54.13 50.20 1mjf s LEU 55 Cb 0.13 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1mjf s LEU 55 CO 0.67 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1mjf n GLY 56 N 3.87 0.85 0.36 -3.19 0.00 -1.21 -4.81 105.19 101.06 1mjf n GLY 56 Ca 0.21 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.42 1mjf n GLY 56 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1mjf h GLU 57 N 0.00 0.00 0.00 1.61 -0.00 -1.35 -0.33 114.58 114.51 1mjf h GLU 57 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.35 1mjf h GLU 57 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1mjf h GLU 57 CO 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 179.01 178.97 1mjf h ARG 58 N 0.00 0.00 0.00 1.06 3.08 -1.89 -0.36 114.38 116.27 1mjf h ARG 58 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1mjf h ARG 58 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1mjf h ARG 58 CO -0.00 0.04 0.00 0.66 -1.07 0.00 0.00 179.97 179.60 1mjf h SER 59 N 0.00 0.00 0.00 7.04 4.64 -1.40 -1.81 113.55 122.02 1mjf h SER 59 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1mjf h SER 59 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 1mjf h SER 59 CO 0.01 0.00 -1.81 0.00 -0.87 0.00 0.00 176.83 174.16 1mjf n TYR 60 N -2.38 0.00 0.02 4.77 9.36 -0.22 -4.42 117.16 124.29 1mjf n TYR 60 Ca 0.00 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 1mjf n TYR 60 Cb 0.15 -0.74 0.25 0.00 -0.63 0.00 0.00 39.34 38.37 1mjf n TYR 60 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1mjf h HIS 61 N -0.95 0.50 0.59 2.98 3.86 -1.38 -1.72 115.15 119.03 1mjf h HIS 61 Ca -0.38 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 1mjf h HIS 61 Cb 1.31 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 29.65 1mjf h HIS 61 CO -0.23 0.60 -0.28 0.93 0.86 0.00 0.00 177.93 179.82 1mjf h GLU 62 N 0.42 -0.76 0.00 2.45 5.08 -1.58 -2.51 114.58 117.68 1mjf h GLU 62 Ca 0.07 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1mjf h GLU 62 Cb 0.53 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1mjf h GLU 62 CO 0.03 -0.45 -0.19 -1.00 -1.00 0.00 0.00 179.01 176.41 1mjf h PRO 63 N -1.00 0.00 -0.43 2.33 0.13 -1.76 -1.33 132.00 129.94 1mjf h PRO 63 Ca -0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1mjf h PRO 63 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1mjf h PRO 63 CO 0.13 0.19 0.06 1.25 -0.23 0.00 0.00 178.00 179.40 1mjf h LEU 64 N 0.00 0.70 0.00 1.56 5.85 -1.31 -3.40 115.31 118.70 1mjf h LEU 64 Ca -0.00 -0.27 -0.26 0.00 0.84 0.00 0.00 57.88 58.19 1mjf h LEU 64 Cb 0.39 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1mjf h LEU 64 CO 0.02 0.79 -1.71 0.52 -0.34 0.00 0.00 178.44 177.72 1mjf n VAL 65 N -4.47 1.51 -0.05 1.05 0.31 -0.95 -4.69 118.33 111.03 1mjf n VAL 65 Ca -0.00 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1mjf n VAL 65 Cb 0.25 -2.08 0.07 0.00 -0.91 0.00 0.00 33.84 31.16 1mjf n VAL 65 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1mjf h HIS 66 N -1.00 0.83 -0.19 3.52 3.86 -1.46 -2.53 115.15 118.18 1mjf h HIS 66 Ca -0.39 -0.24 0.05 0.00 -1.16 0.00 0.00 60.37 58.63 1mjf h HIS 66 Cb 1.29 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 1mjf h HIS 66 CO -0.15 0.97 -0.17 -1.35 0.86 0.00 0.00 177.93 178.10 1mjf h PRO 67 N 0.58 -0.17 -0.64 2.45 0.11 -1.78 0.07 132.00 132.61 1mjf h PRO 67 Ca 0.05 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1mjf h PRO 67 Cb 0.91 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1mjf h PRO 67 CO 0.08 -0.12 0.23 0.00 -0.21 0.00 0.00 178.00 177.98 1mjf h ALA 68 N 0.92 0.84 -0.53 -0.75 0.00 -1.82 -0.07 119.26 117.84 1mjf h ALA 68 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1mjf h ALA 68 Cb 0.35 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mjf h ALA 68 CO -0.30 0.49 0.03 0.52 0.00 0.00 0.00 179.25 180.00 1mjf h MET 69 N 0.92 0.87 0.00 0.00 2.86 -1.21 -2.23 114.93 116.13 1mjf h MET 69 Ca 0.21 -0.23 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1mjf h MET 69 Cb 0.25 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1mjf h MET 69 CO -0.01 0.85 -0.68 -0.07 1.06 0.00 0.00 176.91 178.05 1mjf h LEU 70 N 0.82 0.00 -0.40 1.22 3.38 -0.75 -3.23 115.31 116.35 1mjf h LEU 70 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 1mjf h LEU 70 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1mjf h LEU 70 CO 0.02 0.58 -0.80 0.00 0.09 0.00 0.00 178.44 178.33 1mjf h ALA 71 N 1.42 0.64 -2.74 1.53 0.00 -0.84 -2.38 119.26 116.88 1mjf h ALA 71 Ca -0.02 -0.69 -0.51 0.00 0.00 0.00 0.00 54.91 53.68 1mjf h ALA 71 Cb 1.47 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.18 1mjf h ALA 71 CO 0.07 0.91 0.50 -1.58 0.00 0.00 0.00 179.25 179.16 1mjf s HIS 72 N -3.29 3.52 0.39 0.00 5.65 -0.86 -4.81 115.29 115.89 1mjf s HIS 72 Ca -0.02 1.60 0.12 0.00 0.25 0.00 0.00 55.06 57.01 1mjf s HIS 72 Cb 0.11 -3.34 0.79 0.00 -1.18 0.00 0.00 32.58 28.96 1mjf s HIS 72 CO 0.81 -0.78 1.88 -1.00 -0.65 0.00 0.00 174.74 174.99 1mjf h PRO 73 N 4.41 0.05 -0.73 2.88 0.13 -1.86 -3.40 132.00 133.47 1mjf h PRO 73 Ca -0.46 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1mjf h PRO 73 Cb 1.21 -0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 1mjf h PRO 73 CO 0.70 0.33 -0.41 0.36 -0.23 0.00 0.00 178.00 178.75 1mjf n LYS 74 N -4.18 0.47 -2.47 0.86 -0.00 -1.26 -5.13 118.16 106.44 1mjf n LYS 74 Ca -0.02 -1.74 -0.43 0.00 -0.00 0.00 0.00 58.31 56.12 1mjf n LYS 74 Cb 0.35 -1.13 -0.02 0.00 -0.00 0.00 0.00 35.03 34.22 1mjf n LYS 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1mjf s PRO 75 N 0.86 3.86 -0.05 -1.58 0.04 -1.26 -4.84 135.00 132.03 1mjf s PRO 75 Ca 0.29 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.45 1mjf s PRO 75 Cb 0.05 -3.88 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1mjf s PRO 75 CO -0.08 -1.19 0.03 1.63 0.04 0.00 0.00 177.00 177.44 1mjf n LYS 76 N 7.43 2.72 -4.02 4.56 4.76 -1.26 -4.38 118.16 127.97 1mjf n LYS 76 Ca 0.14 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.27 1mjf n LYS 76 Cb 0.47 -1.14 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 1mjf n LYS 76 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1mjf s ARG 77 N -2.17 2.29 -0.02 1.97 3.52 -1.26 -0.54 118.95 122.74 1mjf s ARG 77 Ca -0.03 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 54.98 1mjf s ARG 77 Cb 0.02 -2.21 -0.01 0.00 -1.56 0.00 0.00 34.95 31.19 1mjf s ARG 77 CO 0.23 -0.28 -0.17 0.08 -0.81 0.00 0.00 175.30 174.35 1mjf s VAL 78 N 1.45 1.37 -0.11 7.11 1.01 -0.67 -0.43 120.40 130.14 1mjf s VAL 78 Ca 0.04 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1mjf s VAL 78 Cb -0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1mjf s VAL 78 CO -0.10 0.39 -0.15 -0.22 0.00 0.00 0.00 175.10 175.01 1mjf s LEU 79 N -0.34 2.62 -0.18 3.92 2.96 -0.39 -0.97 118.68 126.29 1mjf s LEU 79 Ca 0.05 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1mjf s LEU 79 Cb -0.07 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.06 1mjf s LEU 79 CO -0.00 0.20 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.40 1mjf s VAL 80 N 0.11 2.66 -0.22 1.68 1.01 0.54 -0.32 120.40 125.85 1mjf s VAL 80 Ca -0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1mjf s VAL 80 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1mjf s VAL 80 CO 0.05 0.50 0.14 -0.63 0.00 0.00 0.00 175.10 175.15 1mjf s ILE 81 N 1.17 5.28 0.00 2.22 1.01 -0.24 -0.74 121.20 129.90 1mjf s ILE 81 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1mjf s ILE 81 Cb -0.14 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.89 1mjf s ILE 81 CO -0.06 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1mjf n GLY 82 N 3.96 0.55 2.92 6.18 0.00 -0.09 -0.34 105.19 118.37 1mjf n GLY 82 Ca -0.16 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 1mjf n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mjf n GLY 83 N 0.00 -0.35 0.34 -0.02 0.00 -0.72 -4.30 105.19 100.13 1mjf n GLY 83 Ca 0.00 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.21 1mjf n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mjf h GLY 84 N -1.41 0.00 2.00 -0.02 0.00 -1.93 -1.53 103.07 100.18 1mjf h GLY 84 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1mjf h GLY 84 CO 0.49 0.00 0.00 1.29 0.00 0.00 0.00 176.54 178.32 1mjf h ASP 85 N 0.00 0.00 0.00 0.19 3.04 -1.91 -3.35 116.42 114.40 1mjf h ASP 85 Ca 0.12 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.91 1mjf h ASP 85 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 1mjf h ASP 85 CO -0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1mjf n GLY 86 N 0.92 1.03 0.35 7.15 0.00 -0.58 -4.18 105.19 109.88 1mjf n GLY 86 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 1mjf n GLY 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1mjf h GLY 87 N 0.00 1.30 0.81 -0.02 0.00 -1.88 -1.74 103.07 101.54 1mjf h GLY 87 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 1mjf h GLY 87 CO 0.00 0.63 0.02 -0.84 0.00 0.00 0.00 176.54 176.34 1mjf h THR 88 N 1.19 1.23 -0.52 4.70 2.02 -1.92 -2.13 112.91 117.49 1mjf h THR 88 Ca 0.28 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.65 1mjf h THR 88 Cb 0.14 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1mjf h THR 88 CO -0.03 0.22 0.07 0.58 0.37 0.00 0.00 175.52 176.73 1mjf h VAL 89 N 0.04 1.23 -0.62 3.16 2.07 -1.87 -1.26 116.25 119.00 1mjf h VAL 89 Ca 0.05 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1mjf h VAL 89 Cb 0.32 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1mjf h VAL 89 CO 0.00 0.33 0.32 -0.09 0.02 0.00 0.00 177.57 178.15 1mjf h ARG 90 N 0.78 0.57 -0.44 1.57 2.43 -1.14 -1.64 114.38 116.52 1mjf h ARG 90 Ca 0.16 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.16 1mjf h ARG 90 Cb 0.37 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1mjf h ARG 90 CO 0.01 0.38 -0.28 0.93 -1.51 0.00 0.00 179.97 179.49 1mjf h GLU 91 N 0.59 0.96 -0.93 0.20 4.39 -0.92 -2.95 114.58 115.91 1mjf h GLU 91 Ca 0.28 -0.44 0.06 0.00 0.34 0.00 0.00 59.36 59.60 1mjf h GLU 91 Cb 0.21 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.79 1mjf h GLU 91 CO -0.20 1.11 0.60 0.28 -1.16 0.00 0.00 179.01 179.65 1mjf h VAL 92 N 0.81 1.08 0.00 3.13 2.07 -0.82 -2.13 116.25 120.39 1mjf h VAL 92 Ca 0.09 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1mjf h VAL 92 Cb 0.87 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1mjf h VAL 92 CO 0.08 0.20 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1mjf n LEU 93 N -4.49 0.00 0.28 2.57 4.77 -0.65 -1.68 117.00 117.80 1mjf n LEU 93 Ca 0.14 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.57 1mjf n LEU 93 Cb 0.19 -0.30 0.83 0.00 -2.33 0.00 0.00 43.42 41.81 1mjf n LEU 93 CO 0.33 -0.08 1.04 1.56 -1.33 0.00 0.00 177.39 178.91 1mjf h GLN 94 N 0.00 0.00 -6.34 3.23 4.20 -1.36 -3.44 115.11 111.40 1mjf h GLN 94 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1mjf h GLN 94 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1mjf h GLN 94 CO 0.00 0.07 -0.28 -1.01 -0.67 0.00 0.00 178.83 176.94 1mjf s HIS 95 N -4.23 3.48 -1.40 2.96 3.76 -0.68 -4.96 115.29 114.24 1mjf s HIS 95 Ca -0.03 0.33 -0.11 0.00 -0.15 0.00 0.00 55.06 55.10 1mjf s HIS 95 Cb 0.13 -1.86 0.08 0.00 1.11 0.00 0.00 32.58 32.05 1mjf s HIS 95 CO 0.55 0.29 2.20 -3.47 -0.85 0.00 0.00 174.74 173.45 1mjf n ASP 96 N -1.13 5.34 -4.88 1.40 2.03 -1.26 -4.95 116.55 113.09 1mjf n ASP 96 Ca -0.05 -2.94 -0.30 0.00 0.52 0.00 0.00 54.79 52.02 1mjf n ASP 96 Cb 0.55 -1.55 0.02 0.00 -0.72 0.00 0.00 41.12 39.43 1mjf n ASP 96 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1mjf s VAL 97 N 1.55 4.19 -0.08 5.18 -7.23 -1.26 -4.84 120.40 117.91 1mjf s VAL 97 Ca 0.48 0.59 -0.02 0.00 -1.81 0.00 0.00 61.98 61.21 1mjf s VAL 97 Cb 0.13 -3.69 -0.26 0.00 0.56 0.00 0.00 36.38 33.12 1mjf s VAL 97 CO -0.05 -0.87 0.51 0.44 -0.31 0.00 0.00 175.10 174.81 1mjf h ASP 98 N -0.38 0.34 -3.73 4.85 3.32 -1.11 -3.49 116.42 116.23 1mjf h ASP 98 Ca -0.45 -0.70 -0.07 0.00 0.02 0.00 0.00 57.03 55.83 1mjf h ASP 98 Cb 1.22 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 1mjf h ASP 98 CO 0.63 1.62 -0.06 -0.70 -1.72 0.00 0.00 179.24 179.01 1mjf s GLU 99 N -2.57 0.65 -0.10 3.56 2.12 -0.84 -4.69 118.70 116.83 1mjf s GLU 99 Ca -0.17 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.04 1mjf s GLU 99 Cb 0.07 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.74 1mjf s GLU 99 CO 0.80 -0.10 -0.13 0.54 -0.54 0.00 0.00 175.26 175.83 1mjf s VAL 100 N 0.62 1.30 -0.14 3.70 0.11 -0.48 -1.66 120.40 123.85 1mjf s VAL 100 Ca -0.03 -0.52 -0.06 0.00 -2.93 0.00 0.00 61.98 58.45 1mjf s VAL 100 Cb -0.05 -1.22 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1mjf s VAL 100 CO -0.04 0.40 0.06 -0.63 -3.33 0.00 0.00 175.10 171.56 1mjf s ILE 101 N 1.11 4.76 -0.11 7.04 1.01 -0.14 -0.97 121.20 133.91 1mjf s ILE 101 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1mjf s ILE 101 Cb -0.14 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1mjf s ILE 101 CO -0.03 0.54 -0.20 -0.32 0.00 0.00 0.00 174.94 174.93 1mjf s MET 102 N -0.29 3.15 -0.27 2.79 1.75 -0.03 -0.34 119.30 126.07 1mjf s MET 102 Ca 0.08 -0.81 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1mjf s MET 102 Cb -0.12 -2.42 0.07 0.00 2.84 0.00 0.00 34.83 35.20 1mjf s MET 102 CO 0.02 0.20 -0.04 0.08 -0.65 0.00 0.00 175.02 174.63 1mjf s VAL 103 N 0.32 1.84 -0.09 10.11 1.01 0.08 -0.90 120.40 132.77 1mjf s VAL 103 Ca -0.15 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.28 1mjf s VAL 103 Cb -0.17 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1mjf s VAL 103 CO 0.08 -0.21 -0.21 -0.70 0.00 0.00 0.00 175.10 174.06 1mjf s GLU 104 N 1.22 2.69 0.21 2.72 2.56 -0.88 -0.91 118.70 126.30 1mjf s GLU 104 Ca -0.03 -0.76 0.04 0.00 0.00 0.00 0.00 54.97 54.22 1mjf s GLU 104 Cb -0.19 -2.07 0.15 0.00 2.00 0.00 0.00 34.13 34.02 1mjf s GLU 104 CO -0.07 0.14 1.49 0.97 -0.56 0.00 0.00 175.26 177.23 1mjf h ILE 105 N 5.76 1.43 -3.41 -3.70 2.10 -1.73 -1.67 117.51 116.29 1mjf h ILE 105 Ca -0.22 -2.24 -0.71 0.00 1.08 0.00 0.00 64.86 62.76 1mjf h ILE 105 Cb 1.23 2.19 -0.32 0.00 -1.09 0.00 0.00 36.82 38.82 1mjf h ILE 105 CO 0.47 0.66 -0.45 -0.62 -1.08 0.00 0.00 178.15 177.12 1mjf s ASP 106 N -6.91 5.48 0.44 2.19 -1.08 -1.26 -4.53 116.67 110.99 1mjf s ASP 106 Ca -0.03 -2.06 0.13 0.00 -0.52 0.00 0.00 52.55 50.07 1mjf s ASP 106 Cb 0.11 -1.92 1.02 0.00 -1.46 0.00 0.00 42.92 40.68 1mjf s ASP 106 CO 0.81 -0.60 2.00 -0.08 0.52 0.00 0.00 175.17 177.83 1mjf h GLU 107 N 8.14 0.39 -0.03 4.34 4.81 -2.00 -2.28 114.58 127.95 1mjf h GLU 107 Ca -0.15 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 1mjf h GLU 107 Cb 1.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1mjf h GLU 107 CO 0.77 0.26 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.60 1mjf h ASP 108 N 0.40 0.05 -0.71 1.04 3.32 -1.99 -1.71 116.42 116.83 1mjf h ASP 108 Ca 0.24 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1mjf h ASP 108 Cb 0.41 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1mjf h ASP 108 CO -0.06 0.33 0.18 0.58 -1.72 0.00 0.00 179.24 178.55 1mjf h VAL 109 N 0.05 1.26 -0.47 -1.35 2.07 -1.78 -0.58 116.25 115.45 1mjf h VAL 109 Ca 0.01 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1mjf h VAL 109 Cb 0.51 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1mjf h VAL 109 CO 0.04 0.37 0.12 0.40 0.02 0.00 0.00 177.57 178.52 1mjf h ILE 110 N 1.08 1.23 -0.23 4.57 2.04 -1.46 -1.24 117.51 123.49 1mjf h ILE 110 Ca 0.22 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 1mjf h ILE 110 Cb 0.37 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1mjf h ILE 110 CO 0.00 0.29 -0.03 0.24 0.00 0.00 0.00 178.15 178.66 1mjf h MET 111 N 0.63 0.43 -0.76 2.37 2.86 -1.14 -1.03 114.93 118.29 1mjf h MET 111 Ca 0.15 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1mjf h MET 111 Cb 0.32 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 1mjf h MET 111 CO 0.00 0.64 0.29 0.28 1.06 0.00 0.00 176.91 179.18 1mjf h VAL 112 N 0.19 1.26 -0.33 -2.22 2.07 -1.11 -2.32 116.25 113.79 1mjf h VAL 112 Ca 0.06 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1mjf h VAL 112 Cb 0.46 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1mjf h VAL 112 CO 0.02 0.34 -0.07 0.28 0.02 0.00 0.00 177.57 178.15 1mjf h SER 113 N 1.11 0.63 0.50 0.57 0.02 -1.06 0.13 113.55 115.46 1mjf h SER 113 Ca 0.25 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1mjf h SER 113 Cb 0.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1mjf h SER 113 CO -0.02 0.84 -0.35 0.07 -1.14 0.00 0.00 176.83 176.24 1mjf h LYS 114 N 0.41 0.00 0.13 3.45 2.10 -1.09 0.11 116.57 121.68 1mjf h LYS 114 Ca 0.08 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.39 1mjf h LYS 114 Cb 0.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1mjf h LYS 114 CO 0.03 0.35 -1.83 -0.44 -2.00 0.00 0.00 179.45 175.56 1mjf h ASP 115 N 0.00 0.43 0.00 7.07 3.32 -1.30 -3.41 116.42 122.53 1mjf h ASP 115 Ca -0.00 -0.91 -0.03 0.00 0.02 0.00 0.00 57.03 56.11 1mjf h ASP 115 Cb 0.70 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1mjf h ASP 115 CO 0.05 1.80 -1.20 0.18 -1.72 0.00 0.00 179.24 178.34 1mjf n LEU 116 N -3.63 0.00 -0.10 1.55 4.77 0.02 -4.84 117.00 114.78 1mjf n LEU 116 Ca -0.30 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1mjf n LEU 116 Cb 1.01 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 1mjf n LEU 116 CO 0.43 0.04 -0.72 -0.38 -1.33 0.00 0.00 177.39 175.42 1mjf n ILE 117 N -1.84 1.49 -2.41 -0.08 2.08 -0.74 -5.01 119.36 112.84 1mjf n ILE 117 Ca -0.03 0.05 -0.16 0.00 0.56 0.00 0.00 62.75 63.18 1mjf n ILE 117 Cb 0.32 -2.25 0.00 0.00 -0.75 0.00 0.00 39.64 36.96 1mjf n ILE 117 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1mjf n LYS 118 N -4.46 -1.78 0.10 0.38 5.02 0.30 -4.89 118.16 112.84 1mjf n LYS 118 Ca -0.21 0.72 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 1mjf n LYS 118 Cb 0.54 -5.07 0.43 0.00 -0.02 0.00 0.00 35.03 30.90 1mjf n LYS 118 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1mjf n ILE 119 N -4.05 0.59 0.55 -0.18 -5.35 -1.26 -3.63 119.36 106.03 1mjf n ILE 119 Ca -0.16 -0.20 0.13 0.00 -0.27 0.00 0.00 62.75 62.25 1mjf n ILE 119 Cb 0.63 -0.66 0.38 0.00 -1.74 0.00 0.00 39.64 38.24 1mjf n ILE 119 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1mjf h ASP 120 N 0.00 0.00 -5.99 7.28 2.03 -1.86 -3.45 116.42 114.42 1mjf h ASP 120 Ca 0.00 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 55.89 1mjf h ASP 120 Cb 0.67 0.00 0.08 0.00 -0.83 0.00 0.00 39.33 39.25 1mjf h ASP 120 CO 0.00 0.00 -0.75 -3.20 -1.03 0.00 0.00 179.24 174.26 1mjf n ASN 121 N -2.40 -3.95 0.00 4.15 5.15 -1.24 -2.30 115.26 114.67 1mjf n ASN 121 Ca 0.05 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 1mjf n ASN 121 Cb 0.44 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 1mjf n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mjf n GLY 122 N -1.66 0.98 0.23 8.20 0.00 -1.26 -4.95 105.19 106.73 1mjf n GLY 122 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1mjf n GLY 122 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1mjf h LEU 123 N 0.00 0.71 -0.69 0.99 5.85 -1.88 -2.49 115.31 117.80 1mjf h LEU 123 Ca 0.00 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1mjf h LEU 123 Cb 0.00 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1mjf h LEU 123 CO 0.00 0.75 0.29 -0.07 -0.34 0.00 0.00 178.44 179.07 1mjf h LEU 124 N 0.63 0.94 -0.41 2.25 3.38 -1.93 -1.53 115.31 118.65 1mjf h LEU 124 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1mjf h LEU 124 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1mjf h LEU 124 CO -0.00 0.84 0.20 -0.08 0.09 0.00 0.00 178.44 179.49 1mjf h GLU 125 N 0.98 0.59 -0.95 1.13 4.57 -1.95 -0.50 114.58 118.45 1mjf h GLU 125 Ca 0.23 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1mjf h GLU 125 Cb 0.18 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 1mjf h GLU 125 CO -0.02 0.51 0.62 0.00 -1.18 0.00 0.00 179.01 178.94 1mjf h ALA 126 N 1.05 1.36 -0.15 2.92 0.00 -1.19 -1.40 119.26 121.85 1mjf h ALA 126 Ca 0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 1mjf h ALA 126 Cb 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1mjf h ALA 126 CO -0.02 0.56 -0.68 0.52 0.00 0.00 0.00 179.25 179.64 1mjf h MET 127 N 1.23 0.62 -0.09 0.00 2.07 -0.97 -0.40 114.93 117.39 1mjf h MET 127 Ca 0.36 -0.46 -0.08 0.00 -2.07 0.00 0.00 59.70 57.46 1mjf h MET 127 Cb -0.06 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1mjf h MET 127 CO -0.10 1.08 -0.31 -0.07 1.07 0.00 0.00 176.91 178.58 1mjf h LEU 128 N 0.44 0.16 -0.65 1.22 3.38 -0.73 -2.67 115.31 116.46 1mjf h LEU 128 Ca -0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1mjf h LEU 128 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1mjf h LEU 128 CO 0.13 0.47 -0.23 0.59 0.09 0.00 0.00 178.44 179.49 1mjf n ASN 129 N -4.13 1.24 -1.51 -0.43 3.02 -0.56 -4.95 115.26 107.95 1mjf n ASN 129 Ca -0.01 -1.07 -0.15 0.00 -0.03 0.00 0.00 54.58 53.32 1mjf n ASN 129 Cb 0.39 0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1mjf n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mjf n GLY 130 N 1.32 0.27 0.00 7.41 0.00 -0.69 -4.91 105.19 108.60 1mjf n GLY 130 Ca 0.13 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.96 1mjf n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjf n LYS 131 N -2.45 0.02 -2.46 1.61 5.02 -0.24 -4.96 118.16 114.69 1mjf n LYS 131 Ca -0.17 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.71 1mjf n LYS 131 Cb 0.59 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1mjf n LYS 131 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1mjf s HIS 132 N -3.01 3.53 -0.09 2.13 2.46 -1.16 -4.94 115.29 114.20 1mjf s HIS 132 Ca 0.08 1.55 0.26 0.00 0.47 0.00 0.00 55.06 57.42 1mjf s HIS 132 Cb 0.16 -3.33 0.82 0.00 -0.13 0.00 0.00 32.58 30.10 1mjf s HIS 132 CO 0.85 -0.80 1.78 1.05 -2.47 0.00 0.00 174.74 175.15 1mjf h GLU 133 N 5.09 0.00 0.00 2.88 9.09 -1.95 -3.38 114.58 126.30 1mjf h GLU 133 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1mjf h GLU 133 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1mjf h GLU 133 CO 0.73 0.10 -0.86 1.63 0.05 0.00 0.00 179.01 180.65 1mjf n LYS 134 N -3.17 0.06 -3.35 1.06 5.02 -1.26 -4.96 118.16 111.55 1mjf n LYS 134 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 1mjf n LYS 134 Cb 0.45 -0.93 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 1mjf n LYS 134 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mjf s ALA 135 N -1.86 3.50 -0.00 7.82 0.00 -1.26 -1.39 121.76 128.58 1mjf s ALA 135 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1mjf s ALA 135 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 1mjf s ALA 135 CO 0.00 0.05 -0.21 0.15 0.00 0.00 0.00 175.76 175.75 1mjf s LYS 136 N 0.48 1.59 -0.13 0.00 3.01 -0.14 -4.55 119.74 120.01 1mjf s LYS 136 Ca 0.25 -0.79 -0.01 0.00 -1.01 0.00 0.00 55.97 54.41 1mjf s LYS 136 Cb -0.15 -1.58 -0.02 0.00 -1.01 0.00 0.00 37.83 35.07 1mjf s LYS 136 CO 0.10 0.43 -0.09 -1.17 0.51 0.00 0.00 175.35 175.12 1mjf s LEU 137 N -0.66 2.97 -0.10 3.17 2.96 -1.26 -0.85 118.68 124.91 1mjf s LEU 137 Ca 0.08 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 1mjf s LEU 137 Cb -0.08 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1mjf s LEU 137 CO -0.00 0.20 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.11 1mjf s THR 138 N 0.13 2.01 -0.41 3.68 2.01 -0.08 -4.97 115.64 118.02 1mjf s THR 138 Ca -0.04 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.75 1mjf s THR 138 Cb -0.14 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1mjf s THR 138 CO 0.04 0.55 0.74 -0.63 -0.69 0.00 0.00 174.62 174.63 1mjf s ILE 139 N 0.40 4.74 -0.74 1.82 -1.09 -1.26 -2.08 121.20 122.98 1mjf s ILE 139 Ca -0.18 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 1mjf s ILE 139 Cb -0.18 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1mjf s ILE 139 CO 0.08 -0.56 0.00 0.61 -1.23 0.00 0.00 174.94 173.84 1mjf n GLY 140 N 4.82 -1.35 3.66 6.18 0.00 -0.63 -4.94 105.19 112.93 1mjf n GLY 140 Ca 0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1mjf n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mjf s ASP 141 N -0.38 6.92 0.44 1.61 -1.08 -1.26 -2.10 116.67 120.81 1mjf s ASP 141 Ca 0.00 1.15 0.10 0.00 -0.52 0.00 0.00 52.55 53.27 1mjf s ASP 141 Cb 0.00 -2.46 0.97 0.00 -1.46 0.00 0.00 42.92 39.97 1mjf s ASP 141 CO 0.00 -0.50 2.08 1.23 0.52 0.00 0.00 175.17 178.49 1mjf h GLY 142 N 8.92 0.44 0.97 2.66 0.00 -1.96 -0.40 103.07 113.70 1mjf h GLY 142 Ca -0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1mjf h GLY 142 CO 0.88 0.15 0.07 -2.75 0.00 0.00 0.00 176.54 174.89 1mjf h PHE 143 N 0.41 0.14 -0.47 5.60 3.57 -1.97 -1.90 116.94 122.34 1mjf h PHE 143 Ca 0.12 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.50 1mjf h PHE 143 Cb -0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1mjf h PHE 143 CO -0.00 0.13 -0.21 0.93 -2.23 0.00 0.00 178.31 176.93 1mjf h GLU 144 N 0.12 0.95 -0.68 1.11 3.07 -1.85 -3.16 114.58 114.14 1mjf h GLU 144 Ca 0.04 -0.40 -0.00 0.00 -0.50 0.00 0.00 59.36 58.50 1mjf h GLU 144 Cb 0.03 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 1mjf h GLU 144 CO -0.01 1.07 0.42 0.35 -1.40 0.00 0.00 179.01 179.44 1mjf h PHE 145 N 0.82 0.89 0.00 4.33 3.57 -0.95 -2.49 116.94 123.12 1mjf h PHE 145 Ca 0.11 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1mjf h PHE 145 Cb 0.78 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1mjf h PHE 145 CO 0.05 0.59 -0.06 0.97 -2.23 0.00 0.00 178.31 177.63 1mjf h ILE 146 N 0.93 0.13 -0.28 1.41 6.09 -1.37 0.03 117.51 124.46 1mjf h ILE 146 Ca 0.25 -0.88 -0.09 0.00 -1.37 0.00 0.00 64.86 62.77 1mjf h ILE 146 Cb -0.05 1.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 1mjf h ILE 146 CO -0.05 0.06 -0.21 0.11 -3.07 0.00 0.00 178.15 174.99 1mjf h LYS 147 N 0.00 0.51 -0.01 2.19 1.57 -1.41 -3.34 116.57 116.08 1mjf h LYS 147 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1mjf h LYS 147 Cb 0.78 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1mjf h LYS 147 CO 0.01 0.70 -0.01 0.09 -0.57 0.00 0.00 179.45 179.66 1mjf n ASN 148 N -4.14 1.82 -3.91 0.86 3.02 -0.85 -4.99 115.26 107.06 1mjf n ASN 148 Ca -0.00 -1.41 -0.11 0.00 -0.03 0.00 0.00 54.58 53.03 1mjf n ASN 148 Cb 0.39 0.03 -0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1mjf n ASN 148 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1mjf s ASN 149 N -0.90 0.08 0.38 6.41 0.01 -0.06 -5.09 114.94 115.79 1mjf s ASN 149 Ca 0.12 -0.17 -0.10 0.00 -0.71 0.00 0.00 52.86 52.00 1mjf s ASN 149 Cb 0.09 0.04 0.04 0.00 0.41 0.00 0.00 41.25 41.82 1mjf s ASN 149 CO 0.14 -0.11 0.68 0.00 -1.51 0.00 0.00 177.10 176.29 1mjf s ARG 150 N -0.52 2.17 0.00 -0.60 1.70 -1.26 -4.53 118.95 115.90 1mjf s ARG 150 Ca -0.06 -1.62 0.00 0.00 -0.47 0.00 0.00 55.73 53.58 1mjf s ARG 150 Cb -0.04 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.90 1mjf s ARG 150 CO -0.00 -0.98 0.00 0.41 -1.08 0.00 0.00 175.30 173.65 1mjf n GLY 151 N -0.56 0.49 3.43 3.88 0.00 0.39 -5.06 105.19 107.76 1mjf n GLY 151 Ca -0.05 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1mjf n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mjf s PHE 152 N -1.70 2.67 0.11 1.61 0.08 -0.87 -4.83 117.98 115.05 1mjf s PHE 152 Ca 0.00 -0.31 -0.09 0.00 0.12 0.00 0.00 56.93 56.66 1mjf s PHE 152 Cb 0.00 -1.65 -0.13 0.00 -0.57 0.00 0.00 43.02 40.66 1mjf s PHE 152 CO 0.00 0.07 1.28 -0.44 -0.10 0.00 0.00 175.22 176.03 1mjf h ASP 153 N 5.64 0.73 -3.68 1.36 3.32 -1.06 0.99 116.42 123.72 1mjf h ASP 153 Ca -0.41 -0.55 -0.37 0.00 0.02 0.00 0.00 57.03 55.72 1mjf h ASP 153 Cb 1.16 -0.22 -0.31 0.00 0.22 0.00 0.00 39.33 40.18 1mjf h ASP 153 CO 0.51 1.34 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.92 1mjf s VAL 154 N -3.40 0.46 -0.11 -1.35 1.01 -1.15 -1.36 120.40 114.49 1mjf s VAL 154 Ca -0.08 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1mjf s VAL 154 Cb 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.02 1mjf s VAL 154 CO 0.89 0.17 -0.19 -0.63 0.00 0.00 0.00 175.10 175.34 1mjf s ILE 155 N 0.45 1.75 -0.21 2.22 1.01 -0.26 -1.27 121.20 124.90 1mjf s ILE 155 Ca -0.05 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 1mjf s ILE 155 Cb -0.09 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1mjf s ILE 155 CO -0.00 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.66 1mjf s ILE 156 N 0.79 2.45 -0.50 2.92 1.01 0.56 -1.27 121.20 127.15 1mjf s ILE 156 Ca -0.10 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 1mjf s ILE 156 Cb -0.16 -2.14 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1mjf s ILE 156 CO 0.01 0.38 0.75 0.00 0.00 0.00 0.00 174.94 176.08 1mjf s ALA 157 N 1.30 3.29 -0.75 9.38 0.00 0.20 -1.08 121.76 134.11 1mjf s ALA 157 Ca 0.02 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 50.62 1mjf s ALA 157 Cb -0.15 -3.48 0.33 0.00 0.00 0.00 0.00 23.12 19.82 1mjf s ALA 157 CO -0.09 -2.08 1.27 -3.47 0.00 0.00 0.00 175.76 171.40 1mjf n ASP 158 N 6.66 5.54 -4.48 0.00 2.03 0.53 -3.06 116.55 123.77 1mjf n ASP 158 Ca -0.02 -3.68 -0.17 0.00 0.52 0.00 0.00 54.79 51.45 1mjf n ASP 158 Cb 0.47 -0.80 0.05 0.00 -0.72 0.00 0.00 41.12 40.13 1mjf n ASP 158 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1mjf n SER 159 N -0.12 1.83 -3.67 1.67 3.41 -1.24 -1.76 113.62 113.74 1mjf n SER 159 Ca 0.37 -2.32 -0.26 0.00 -0.26 0.00 0.00 58.87 56.40 1mjf n SER 159 Cb 0.34 -0.34 0.18 0.00 -0.26 0.00 0.00 64.21 64.14 1mjf n SER 159 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mjf n THR 160 N -2.04 0.00 -1.72 6.66 -2.24 -1.26 -4.99 114.28 108.69 1mjf n THR 160 Ca 0.13 -0.84 -0.37 0.00 -2.27 0.00 0.00 64.05 60.70 1mjf n THR 160 Cb 0.51 -1.54 0.06 0.00 -2.10 0.00 0.00 70.33 67.26 1mjf n THR 160 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1mjf n ASP 161 N -3.82 2.03 -4.73 3.42 8.00 -1.26 -5.11 116.55 115.08 1mjf n ASP 161 Ca 0.15 0.86 -0.31 0.00 0.71 0.00 0.00 54.79 56.20 1mjf n ASP 161 Cb 0.51 -1.54 0.12 0.00 -0.02 0.00 0.00 41.12 40.19 1mjf n ASP 161 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1mjf s PRO 162 N -3.17 1.77 0.48 -0.24 0.04 -1.26 -5.14 135.00 127.47 1mjf s PRO 162 Ca 0.79 1.19 0.30 0.00 0.04 0.00 0.00 61.00 63.33 1mjf s PRO 162 Cb -0.39 -1.84 1.64 0.00 0.04 0.00 0.00 34.50 33.95 1mjf s PRO 162 CO 0.43 -1.99 1.92 -0.39 0.04 0.00 0.00 177.00 177.00 1mjf h VAL 168 N -1.39 0.00 0.00 -0.36 -1.51 -2.02 -3.52 116.25 107.46 1mjf h VAL 168 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1mjf h VAL 168 Cb 1.25 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1mjf h VAL 168 CO 0.50 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 177.02 1mjf n LEU 169 N -2.59 0.00 -0.18 4.19 4.77 -1.26 -2.36 117.00 119.57 1mjf n LEU 169 Ca -0.02 0.05 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 1mjf n LEU 169 Cb 0.10 -0.05 0.13 0.00 -2.33 0.00 0.00 43.42 41.27 1mjf n LEU 169 CO 0.13 -0.01 0.51 0.49 -1.33 0.00 0.00 177.39 177.18 1mjf n PHE 170 N -1.05 0.00 -3.70 -1.77 3.01 -1.26 -4.92 117.46 107.78 1mjf n PHE 170 Ca 0.17 -0.92 -0.30 0.00 1.01 0.00 0.00 57.45 57.41 1mjf n PHE 170 Cb 0.10 -0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.38 1mjf n PHE 170 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1mjf s SER 171 N -2.68 6.43 0.26 4.37 1.04 -1.00 -4.72 113.70 117.40 1mjf s SER 171 Ca 0.29 0.48 -0.03 0.00 0.48 0.00 0.00 55.95 57.17 1mjf s SER 171 Cb 0.26 -2.04 0.37 0.00 0.10 0.00 0.00 66.02 64.71 1mjf s SER 171 CO 0.02 0.02 1.88 1.05 0.98 0.00 0.00 173.24 177.19 1mjf h GLU 172 N 2.47 1.14 -0.41 4.02 9.09 -1.89 -1.83 114.58 127.17 1mjf h GLU 172 Ca -0.47 -0.07 0.07 0.00 0.05 0.00 0.00 59.36 58.94 1mjf h GLU 172 Cb 1.18 -0.26 -0.06 0.00 -1.65 0.00 0.00 28.75 27.96 1mjf h GLU 172 CO 0.71 0.75 0.04 1.49 0.05 0.00 0.00 179.01 182.05 1mjf h GLU 173 N 1.17 0.15 -0.66 1.06 4.81 -1.95 -1.26 114.58 117.90 1mjf h GLU 173 Ca 0.42 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1mjf h GLU 173 Cb 0.12 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1mjf h GLU 173 CO -0.16 0.10 0.31 0.35 -0.73 0.00 0.00 179.01 178.88 1mjf h PHE 174 N 0.15 0.96 0.00 0.92 3.57 -1.65 -2.68 116.94 118.21 1mjf h PHE 174 Ca 0.20 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1mjf h PHE 174 Cb 0.27 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 1mjf h PHE 174 CO -0.24 0.72 -0.33 1.88 -2.23 0.00 0.00 178.31 178.11 1mjf h TYR 175 N 0.91 0.00 -0.23 0.41 0.05 -0.78 -0.89 116.97 116.44 1mjf h TYR 175 Ca 0.23 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.84 1mjf h TYR 175 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1mjf h TYR 175 CO 0.00 0.33 -0.48 0.00 -1.05 0.00 0.00 178.16 176.96 1mjf h ARG 176 N 0.00 0.74 -0.92 4.88 3.08 -1.03 -0.99 114.38 120.14 1mjf h ARG 176 Ca -0.00 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 1mjf h ARG 176 Cb 0.63 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1mjf h ARG 176 CO 0.04 1.11 0.55 1.88 -1.07 0.00 0.00 179.97 182.48 1mjf h TYR 177 N 0.47 1.22 -0.14 3.04 0.05 -1.16 -1.95 116.97 118.49 1mjf h TYR 177 Ca 0.01 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1mjf h TYR 177 Cb 1.09 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1mjf h TYR 177 CO 0.08 0.81 0.07 0.28 -1.05 0.00 0.00 178.16 178.36 1mjf h VAL 178 N 1.27 1.13 -0.78 -2.88 2.07 -1.02 -1.61 116.25 114.43 1mjf h VAL 178 Ca 0.33 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1mjf h VAL 178 Cb -0.04 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1mjf h VAL 178 CO -0.06 0.12 0.51 0.22 0.02 0.00 0.00 177.57 178.38 1mjf h TYR 179 N 0.10 0.99 -0.16 1.57 5.03 -1.01 -0.69 116.97 122.80 1mjf h TYR 179 Ca 0.05 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.29 1mjf h TYR 179 Cb 0.13 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.06 1mjf h TYR 179 CO -0.03 0.63 -0.29 -0.44 -1.32 0.00 0.00 178.16 176.71 1mjf h ASP 180 N 1.06 0.32 1.91 -2.11 3.32 -1.26 -2.83 116.42 116.83 1mjf h ASP 180 Ca 0.28 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1mjf h ASP 180 Cb -0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.35 1mjf h ASP 180 CO -0.06 0.60 -0.01 0.00 -1.72 0.00 0.00 179.24 178.06 1mjf h ALA 181 N 1.42 1.00 -2.61 3.45 0.00 -0.42 -3.46 119.26 118.64 1mjf h ALA 181 Ca 0.04 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.46 1mjf h ALA 181 Cb 0.66 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.49 1mjf h ALA 181 CO 0.05 0.00 0.45 -0.51 0.00 0.00 0.00 179.25 179.24 1mjf s LEU 182 N -5.95 4.12 0.89 0.00 1.43 -0.35 -0.46 118.68 118.36 1mjf s LEU 182 Ca 0.07 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.23 1mjf s LEU 182 Cb 0.06 -4.16 0.13 0.00 0.03 0.00 0.00 46.19 42.25 1mjf s LEU 182 CO 0.66 -0.64 1.12 0.20 0.23 0.00 0.00 176.35 177.92 1mjf s ASN 183 N -1.41 3.65 -0.26 2.29 0.01 0.34 -4.77 114.94 114.79 1mjf s ASN 183 Ca 0.59 1.13 0.02 0.00 -0.71 0.00 0.00 52.86 53.89 1mjf s ASN 183 Cb -0.26 -1.77 0.05 0.00 0.41 0.00 0.00 41.25 39.69 1mjf s ASN 183 CO 0.32 -2.48 -0.09 0.21 -1.51 0.00 0.00 177.10 173.55 1mjf s ASN 184 N -3.87 4.44 0.55 -1.22 3.84 -1.26 -1.81 114.94 115.62 1mjf s ASN 184 Ca 0.63 -1.29 -0.16 0.00 0.21 0.00 0.00 52.86 52.25 1mjf s ASN 184 Cb -0.15 -1.58 -0.06 0.00 -0.55 0.00 0.00 41.25 38.90 1mjf s ASN 184 CO 0.54 -0.19 1.02 -2.16 -2.79 0.00 0.00 177.10 173.52 1mjf s PRO 185 N 1.16 3.68 0.03 0.43 0.04 -1.26 -5.05 135.00 134.02 1mjf s PRO 185 Ca -0.07 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.84 1mjf s PRO 185 Cb -0.19 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1mjf s PRO 185 CO -0.05 -0.50 0.35 0.20 0.04 0.00 0.00 177.00 177.04 1mjf s GLY 186 N -3.06 -0.18 -0.02 0.56 0.00 -0.16 -4.80 107.32 99.65 1mjf s GLY 186 Ca 0.60 0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1mjf s GLY 186 CO 0.35 -0.05 0.00 -1.50 0.00 0.00 0.00 173.10 171.91 1mjf s ILE 187 N -2.28 0.11 -0.08 0.90 2.07 -0.46 -0.95 121.20 120.51 1mjf s ILE 187 Ca -0.07 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1mjf s ILE 187 Cb -0.02 -0.18 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1mjf s ILE 187 CO -0.01 0.10 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.57 1mjf s TYR 188 N 0.68 2.93 0.00 3.50 5.04 0.47 -1.10 117.35 128.87 1mjf s TYR 188 Ca -0.06 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 1mjf s TYR 188 Cb -0.09 -1.74 -0.00 0.00 0.35 0.00 0.00 41.96 40.47 1mjf s TYR 188 CO -0.01 0.26 -0.01 0.54 -1.34 0.00 0.00 175.55 174.99 1mjf s VAL 189 N -0.63 0.08 0.01 3.14 0.11 -0.40 -0.74 120.40 121.98 1mjf s VAL 189 Ca 0.09 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1mjf s VAL 189 Cb -0.12 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1mjf s VAL 189 CO 0.02 -0.07 -0.04 0.28 -3.33 0.00 0.00 175.10 171.96 1mjf s THR 190 N -0.28 0.27 0.39 5.04 -1.32 -0.55 -0.62 115.64 118.57 1mjf s THR 190 Ca -0.02 -0.37 -0.27 0.00 -1.21 0.00 0.00 61.69 59.81 1mjf s THR 190 Cb -0.02 -0.28 -0.10 0.00 -1.51 0.00 0.00 72.50 70.59 1mjf s THR 190 CO -0.00 -0.07 1.41 0.00 -2.21 0.00 0.00 174.62 173.75 1mjf s GLN 191 N -0.47 4.06 -0.04 7.08 1.03 -1.17 -1.37 119.66 128.78 1mjf s GLN 191 Ca -0.03 2.40 0.08 0.00 0.04 0.00 0.00 55.36 57.86 1mjf s GLN 191 Cb -0.04 -2.90 0.14 0.00 0.03 0.00 0.00 33.01 30.25 1mjf s GLN 191 CO -0.00 -0.51 1.07 0.00 -2.54 0.00 0.00 175.29 173.31 1mjf n ALA 192 N 0.36 2.19 0.00 2.60 0.00 0.25 -4.84 120.51 121.06 1mjf n ALA 192 Ca 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1mjf n ALA 192 Cb 0.41 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1mjf n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjf n GLY 193 N -0.33 0.64 3.68 0.00 0.00 -1.24 -4.13 105.19 103.81 1mjf n GLY 193 Ca 0.05 -1.88 -0.47 0.00 0.00 0.00 0.00 46.02 43.73 1mjf n GLY 193 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mjf n SER 194 N -0.55 3.41 -0.16 1.61 2.88 -1.26 -0.74 113.62 118.81 1mjf n SER 194 Ca 0.00 1.01 -0.02 0.00 -1.33 0.00 0.00 58.87 58.54 1mjf n SER 194 Cb 0.00 -1.42 0.07 0.00 -0.75 0.00 0.00 64.21 62.11 1mjf n SER 194 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1mjf h VAL 195 N 4.69 0.61 0.00 2.46 2.07 -1.66 -1.24 116.25 123.19 1mjf h VAL 195 Ca -0.47 -0.05 -0.24 0.00 0.82 0.00 0.00 66.70 66.76 1mjf h VAL 195 Cb 1.26 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1mjf h VAL 195 CO 0.93 0.02 -1.47 1.88 0.02 0.00 0.00 177.57 178.95 1mjf h TYR 196 N 0.13 0.00 0.00 1.57 0.05 -1.90 -3.36 116.97 113.46 1mjf h TYR 196 Ca 0.26 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 1mjf h TYR 196 Cb 0.39 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 1mjf h TYR 196 CO -0.31 0.89 -1.49 1.28 -1.05 0.00 0.00 178.16 177.48 1mjf n LEU 197 N -3.07 0.00 -1.88 3.88 4.77 -1.19 -4.41 117.00 115.09 1mjf n LEU 197 Ca -0.12 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.65 1mjf n LEU 197 Cb 0.97 0.06 0.08 0.00 -2.33 0.00 0.00 43.42 42.20 1mjf n LEU 197 CO 0.45 0.06 0.62 0.49 -1.33 0.00 0.00 177.39 177.67 1mjf n PHE 198 N -1.96 2.44 -0.24 -1.77 3.72 -0.47 -4.68 117.46 114.50 1mjf n PHE 198 Ca -0.05 -2.27 -0.08 0.00 -0.05 0.00 0.00 57.45 55.00 1mjf n PHE 198 Cb 0.39 -0.65 0.04 0.00 -0.94 0.00 0.00 39.48 38.31 1mjf n PHE 198 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1mjf h THR 199 N 1.59 1.26 -0.76 4.37 2.02 -1.71 -2.03 112.91 117.66 1mjf h THR 199 Ca 0.39 -0.94 0.03 0.00 0.77 0.00 0.00 66.41 66.66 1mjf h THR 199 Cb 1.38 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 1mjf h THR 199 CO 0.87 0.36 0.50 0.44 0.37 0.00 0.00 175.52 178.06 1mjf h ASP 200 N 0.98 0.82 -0.07 4.18 3.32 -1.92 -1.61 116.42 122.12 1mjf h ASP 200 Ca 0.21 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.05 1mjf h ASP 200 Cb 0.36 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1mjf h ASP 200 CO 0.00 0.57 -0.65 -0.33 -1.72 0.00 0.00 179.24 177.12 1mjf h GLU 201 N 0.95 0.69 -0.28 3.56 3.07 -1.76 -1.96 114.58 118.84 1mjf h GLU 201 Ca 0.30 -0.49 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 1mjf h GLU 201 Cb 0.00 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1mjf h GLU 201 CO -0.08 1.11 0.11 1.25 -1.40 0.00 0.00 179.01 180.00 1mjf h LEU 202 N 0.50 0.38 -0.41 1.33 5.85 -1.16 -1.94 115.31 119.85 1mjf h LEU 202 Ca -0.01 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.49 1mjf h LEU 202 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1mjf h LEU 202 CO 0.13 0.44 0.06 0.40 -0.34 0.00 0.00 178.44 179.12 1mjf h ILE 203 N 0.30 1.25 -0.64 4.05 2.04 -1.23 -1.65 117.51 121.63 1mjf h ILE 203 Ca 0.09 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1mjf h ILE 203 Cb 0.17 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1mjf h ILE 203 CO -0.01 0.31 0.07 0.77 0.00 0.00 0.00 178.15 179.29 1mjf h SER 204 N 0.54 1.04 -0.53 1.72 4.64 -1.37 -1.08 113.55 118.52 1mjf h SER 204 Ca 0.12 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 1mjf h SER 204 Cb 0.39 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1mjf h SER 204 CO 0.01 1.06 0.31 0.00 -0.87 0.00 0.00 176.83 177.34 1mjf h ALA 205 N 1.02 0.67 -0.86 5.18 0.00 -1.22 -2.00 119.26 122.05 1mjf h ALA 205 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1mjf h ALA 205 Cb 0.48 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1mjf h ALA 205 CO 0.02 0.17 0.49 -0.92 0.00 0.00 0.00 179.25 179.01 1mjf h TYR 206 N 0.71 1.17 -0.42 0.00 5.03 -1.04 -1.65 116.97 120.77 1mjf h TYR 206 Ca 0.19 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 1mjf h TYR 206 Cb 0.01 -0.38 -0.02 0.00 1.55 0.00 0.00 36.73 37.90 1mjf h TYR 206 CO -0.02 0.80 0.25 -0.22 -1.32 0.00 0.00 178.16 177.65 1mjf h LYS 207 N 1.20 0.57 -0.44 1.82 3.64 -0.79 -1.12 116.57 121.44 1mjf h LYS 207 Ca 0.30 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1mjf h LYS 207 Cb 0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1mjf h LYS 207 CO -0.05 0.43 -0.20 0.93 -2.27 0.00 0.00 179.45 178.29 1mjf h GLU 208 N 0.55 0.88 -0.42 1.90 4.39 -1.13 -2.99 114.58 117.77 1mjf h GLU 208 Ca 0.15 -0.36 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1mjf h GLU 208 Cb 0.01 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1mjf h GLU 208 CO -0.03 1.00 -0.03 0.52 -1.16 0.00 0.00 179.01 179.32 1mjf h MET 209 N 0.77 0.69 0.00 2.33 2.86 -1.04 -2.82 114.93 117.73 1mjf h MET 209 Ca 0.11 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1mjf h MET 209 Cb 0.75 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1mjf h MET 209 CO 0.06 0.73 -0.18 -0.22 1.06 0.00 0.00 176.91 178.35 1mjf h LYS 210 N 0.65 0.00 0.00 1.72 3.64 -1.06 -1.41 116.57 120.11 1mjf h LYS 210 Ca 0.13 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1mjf h LYS 210 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1mjf h LYS 210 CO 0.02 0.18 -0.21 0.87 -2.27 0.00 0.00 179.45 178.04 1mjf h LYS 211 N 0.00 0.00 0.00 1.90 1.57 -1.45 -3.39 116.57 115.20 1mjf h LYS 211 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1mjf h LYS 211 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1mjf h LYS 211 CO 0.02 0.21 -1.86 0.28 -0.57 0.00 0.00 179.45 177.54 1mjf n VAL 212 N -3.46 0.98 -2.29 0.50 0.31 -0.64 -5.06 118.33 108.67 1mjf n VAL 212 Ca -0.00 -0.20 -0.29 0.00 -0.01 0.00 0.00 64.34 63.83 1mjf n VAL 212 Cb 0.39 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1mjf n VAL 212 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1mjf s PHE 213 N -2.33 3.58 0.16 3.52 0.08 -0.63 -5.00 117.98 117.36 1mjf s PHE 213 Ca -0.24 1.02 -0.05 0.00 0.12 0.00 0.00 56.93 57.78 1mjf s PHE 213 Cb 0.09 -2.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1mjf s PHE 213 CO 0.30 -0.48 1.42 -0.44 -0.10 0.00 0.00 175.22 175.93 1mjf h ASP 214 N -0.03 0.68 -4.54 1.36 3.32 -1.47 -3.45 116.42 112.29 1mjf h ASP 214 Ca -0.46 -0.41 -0.25 0.00 0.02 0.00 0.00 57.03 55.93 1mjf h ASP 214 Cb 1.20 -0.20 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 1mjf h ASP 214 CO 0.62 1.16 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.44 1mjf s ARG 215 N -3.81 0.39 -0.02 3.56 0.52 -1.16 -5.00 118.95 113.42 1mjf s ARG 215 Ca -0.08 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.65 1mjf s ARG 215 Cb 0.10 -0.17 -0.00 0.00 0.52 0.00 0.00 34.95 35.40 1mjf s ARG 215 CO 0.86 0.03 -0.13 0.08 0.02 0.00 0.00 175.30 176.16 1mjf s VAL 216 N -1.01 1.07 0.15 3.52 1.01 -1.26 -0.78 120.40 123.10 1mjf s VAL 216 Ca -0.08 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1mjf s VAL 216 Cb -0.07 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1mjf s VAL 216 CO -0.00 0.31 -0.16 -0.31 0.00 0.00 0.00 175.10 174.94 1mjf s TYR 217 N -0.07 1.61 0.12 5.22 1.51 -0.35 -4.98 117.35 120.41 1mjf s TYR 217 Ca 0.00 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1mjf s TYR 217 Cb -0.08 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1mjf s TYR 217 CO 0.00 0.24 -0.20 1.52 -1.11 0.00 0.00 175.55 176.01 1mjf s TYR 218 N -2.19 1.82 0.29 2.71 -0.85 -1.26 -0.81 117.35 117.05 1mjf s TYR 218 Ca 0.13 -0.43 -0.12 0.00 -0.52 0.00 0.00 57.07 56.13 1mjf s TYR 218 Cb -0.05 -0.97 0.01 0.00 0.38 0.00 0.00 41.96 41.33 1mjf s TYR 218 CO 0.05 0.25 0.54 1.52 -1.52 0.00 0.00 175.55 176.39 1mjf s TYR 219 N -1.44 0.43 0.07 -3.49 1.13 -0.52 -4.80 117.35 108.72 1mjf s TYR 219 Ca 0.10 -0.81 0.01 0.00 -1.41 0.00 0.00 57.07 54.96 1mjf s TYR 219 Cb -0.09 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 41.00 1mjf s TYR 219 CO 0.05 -1.12 -0.06 -1.54 -2.51 0.00 0.00 175.55 170.38 1mjf s SER 220 N -3.06 0.87 -0.10 -0.18 1.04 -1.14 -1.15 113.70 109.97 1mjf s SER 220 Ca 0.22 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1mjf s SER 220 Cb -0.02 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1mjf s SER 220 CO 0.11 -0.43 0.43 0.12 0.98 0.00 0.00 173.24 174.46 1mjf s PHE 221 N -3.04 -0.41 -0.86 5.02 2.19 -0.56 -4.69 117.98 115.64 1mjf s PHE 221 Ca 0.04 0.90 -0.25 0.00 0.33 0.00 0.00 56.93 57.95 1mjf s PHE 221 Cb 0.01 0.17 -0.02 0.00 -1.31 0.00 0.00 43.02 41.88 1mjf s PHE 221 CO -0.04 -0.33 1.78 -1.25 1.83 0.00 0.00 175.22 177.21 1mjf s PRO 222 N -0.43 2.82 -0.19 10.12 0.04 -1.26 -1.49 135.00 144.61 1mjf s PRO 222 Ca -0.06 -0.28 -0.22 0.00 0.04 0.00 0.00 61.00 60.49 1mjf s PRO 222 Cb -0.03 -4.93 -0.02 0.00 0.04 0.00 0.00 34.50 29.55 1mjf s PRO 222 CO 0.03 -2.93 0.67 0.08 0.04 0.00 0.00 177.00 174.89 1mjf s VAL 223 N 8.55 4.99 -0.02 -0.36 1.01 -1.26 -4.88 120.40 128.43 1mjf s VAL 223 Ca 0.62 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 1mjf s VAL 223 Cb -0.07 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1mjf s VAL 223 CO 0.03 0.10 1.30 -0.63 0.00 0.00 0.00 175.10 175.89 1mjf s ILE 224 N 1.94 3.97 0.00 2.22 1.01 -1.26 -2.84 121.20 126.24 1mjf s ILE 224 Ca 0.31 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1mjf s ILE 224 Cb -0.16 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1mjf s ILE 224 CO 0.11 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1mjf n GLY 225 N 3.50 1.59 3.71 6.18 0.00 -1.26 -4.59 105.19 114.33 1mjf n GLY 225 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1mjf n GLY 225 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mjf s TYR 226 N -2.41 2.90 -0.07 1.61 1.51 -1.13 -4.75 117.35 115.01 1mjf s TYR 226 Ca 0.00 -0.14 -0.34 0.00 -1.01 0.00 0.00 57.07 55.58 1mjf s TYR 226 Cb 0.00 -1.34 -0.12 0.00 -0.11 0.00 0.00 41.96 40.39 1mjf s TYR 226 CO 0.00 0.55 1.88 0.00 -1.11 0.00 0.00 175.55 176.87 1mjf n ALA 227 N -0.66 0.97 -2.82 3.71 0.00 -1.26 -4.83 120.51 115.62 1mjf n ALA 227 Ca -0.08 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1mjf n ALA 227 Cb 0.57 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1mjf n ALA 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mjf s SER 228 N 4.03 6.45 0.54 0.00 0.15 -1.26 -4.09 113.70 119.52 1mjf s SER 228 Ca 0.92 0.54 -0.00 0.00 0.70 0.00 0.00 55.95 58.10 1mjf s SER 228 Cb -0.66 -2.10 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 1mjf s SER 228 CO 0.50 0.39 0.78 -2.16 1.20 0.00 0.00 173.24 173.95 1mjf s PRO 229 N -0.97 2.67 -0.03 5.44 0.04 -1.26 -4.89 135.00 135.99 1mjf s PRO 229 Ca 0.16 -0.61 -0.03 0.00 0.04 0.00 0.00 61.00 60.56 1mjf s PRO 229 Cb -0.13 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1mjf s PRO 229 CO 0.05 -0.65 0.15 -0.46 0.04 0.00 0.00 177.00 176.13 1mjf s TRP 230 N -2.77 3.50 0.17 0.56 -0.11 -0.56 -1.85 118.94 117.87 1mjf s TRP 230 Ca 0.55 0.36 -0.02 0.00 1.22 0.00 0.00 56.10 58.21 1mjf s TRP 230 Cb -0.10 -1.83 -0.05 0.00 -1.50 0.00 0.00 33.47 29.99 1mjf s TRP 230 CO 0.39 0.64 0.36 0.00 -4.62 0.00 0.00 176.95 173.72 1mjf s ALA 231 N -1.23 3.85 -0.00 5.86 0.00 0.08 -1.49 121.76 128.83 1mjf s ALA 231 Ca 0.24 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1mjf s ALA 231 Cb -0.12 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 1mjf s ALA 231 CO 0.14 0.55 -0.03 -0.06 0.00 0.00 0.00 175.76 176.37 1mjf s PHE 232 N -1.76 0.25 0.00 0.00 0.40 -0.30 -0.58 117.98 115.99 1mjf s PHE 232 Ca 0.39 -0.05 0.08 0.00 -0.60 0.00 0.00 56.93 56.75 1mjf s PHE 232 Cb -0.12 -0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.23 1mjf s PHE 232 CO 0.28 -0.00 -0.26 -0.51 0.70 0.00 0.00 175.22 175.42 1mjf s LEU 233 N -0.07 2.09 -0.06 -0.37 1.43 -0.47 -1.44 118.68 119.79 1mjf s LEU 233 Ca 0.01 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1mjf s LEU 233 Cb -0.01 -1.30 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1mjf s LEU 233 CO -0.00 0.29 -0.20 -0.69 0.23 0.00 0.00 176.35 175.98 1mjf s VAL 234 N -0.68 1.68 -0.09 -1.59 1.01 0.01 -1.48 120.40 119.26 1mjf s VAL 234 Ca 0.10 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1mjf s VAL 234 Cb -0.10 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1mjf s VAL 234 CO 0.00 0.48 -0.16 -0.83 0.00 0.00 0.00 175.10 174.58 1mjf s GLY 235 N 0.16 1.48 -0.11 4.51 0.00 0.08 -1.21 107.32 112.22 1mjf s GLY 235 Ca -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1mjf s GLY 235 CO 0.04 -0.44 -0.13 0.14 0.00 0.00 0.00 173.10 172.71 1mjf s VAL 236 N -0.04 3.08 -0.22 1.40 1.01 0.04 -0.40 120.40 125.26 1mjf s VAL 236 Ca -0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1mjf s VAL 236 Cb -0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1mjf s VAL 236 CO 0.04 0.55 0.05 -0.75 0.00 0.00 0.00 175.10 174.99 1mjf s LYS 237 N 0.01 3.72 1.81 2.72 2.20 -0.12 -1.12 119.74 128.95 1mjf s LYS 237 Ca -0.04 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1mjf s LYS 237 Cb -0.14 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1mjf s LYS 237 CO 0.04 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1mjf n GLY 238 N 4.45 -0.53 3.14 5.54 0.00 -1.26 -0.99 105.19 115.54 1mjf n GLY 238 Ca -0.16 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 1mjf n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mjf s ASP 239 N -4.00 6.05 -0.09 1.61 -1.08 -1.26 -4.80 116.67 113.09 1mjf s ASP 239 Ca 0.00 -3.54 0.03 0.00 -0.52 0.00 0.00 52.55 48.52 1mjf s ASP 239 Cb 0.00 -1.94 0.01 0.00 -1.46 0.00 0.00 42.92 39.52 1mjf s ASP 239 CO 0.00 -0.24 -0.18 -0.63 0.52 0.00 0.00 175.17 174.64 1mjf s ILE 240 N -1.08 1.62 -0.61 4.11 1.01 -1.26 -5.00 121.20 119.99 1mjf s ILE 240 Ca 0.26 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1mjf s ILE 240 Cb -0.10 -1.44 0.08 0.00 0.01 0.00 0.00 42.46 41.02 1mjf s ILE 240 CO -0.10 0.46 0.82 -0.62 0.00 0.00 0.00 174.94 175.50 1mjf s ASP 241 N 0.60 6.19 0.32 3.58 -1.08 -1.26 -4.92 116.67 120.10 1mjf s ASP 241 Ca -0.14 -1.12 0.25 0.00 -0.52 0.00 0.00 52.55 51.01 1mjf s ASP 241 Cb -0.17 -2.36 1.10 0.00 -1.46 0.00 0.00 42.92 40.04 1mjf s ASP 241 CO 0.05 -1.24 1.76 0.15 0.52 0.00 0.00 175.17 176.41 1mjf h PHE 242 N 9.34 0.00 0.00 -5.34 3.57 -1.98 -1.97 116.94 120.55 1mjf h PHE 242 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1mjf h PHE 242 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1mjf h PHE 242 CO 0.89 0.00 0.00 0.25 -2.23 0.00 0.00 178.31 177.22 1mjf n THR 243 N -2.38 0.00 -5.00 4.41 -2.24 -1.26 -4.74 114.28 103.07 1mjf n THR 243 Ca 0.01 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 1mjf n THR 243 Cb 0.21 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 67.74 1mjf n THR 243 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1mjf s LYS 244 N -2.00 1.70 0.19 -0.78 3.01 -0.74 -4.77 119.74 116.35 1mjf s LYS 244 Ca 0.42 -0.81 0.06 0.00 -1.01 0.00 0.00 55.97 54.63 1mjf s LYS 244 Cb 0.19 -1.68 -0.05 0.00 -1.01 0.00 0.00 37.83 35.29 1mjf s LYS 244 CO 0.33 0.46 -0.10 0.96 0.51 0.00 0.00 175.35 177.50 1mjf s ILE 245 N -0.56 1.41 -0.68 2.17 -4.36 -1.26 -4.41 121.20 113.50 1mjf s ILE 245 Ca 0.08 -2.12 -0.27 0.00 -0.26 0.00 0.00 60.65 58.08 1mjf s ILE 245 Cb -0.08 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.60 1mjf s ILE 245 CO -0.00 -0.59 1.37 -0.62 0.24 0.00 0.00 174.94 175.33 1mjf s ASP 246 N -3.27 6.07 0.32 4.36 -1.08 -0.90 -4.89 116.67 117.29 1mjf s ASP 246 Ca 0.22 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.14 1mjf s ASP 246 Cb 0.02 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 1mjf s ASP 246 CO 0.05 -1.85 1.77 0.03 0.52 0.00 0.00 175.17 175.69 1mjf h ARG 247 N 10.78 0.28 -0.28 4.34 3.08 -1.96 -1.01 114.38 129.61 1mjf h ARG 247 Ca -0.27 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.51 1mjf h ARG 247 Cb 1.07 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1mjf h ARG 247 CO 1.25 0.56 -0.46 0.93 -1.07 0.00 0.00 179.97 181.17 1mjf h GLU 248 N 0.25 0.82 -0.39 0.04 4.39 -2.01 -1.98 114.58 115.69 1mjf h GLU 248 Ca 0.03 -0.50 -0.07 0.00 0.34 0.00 0.00 59.36 59.16 1mjf h GLU 248 Cb 0.66 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1mjf h GLU 248 CO 0.05 1.13 -0.06 0.00 -1.16 0.00 0.00 179.01 178.97 1mjf h ARG 249 N 0.58 0.66 -0.85 2.33 3.08 -1.95 -3.08 114.38 115.16 1mjf h ARG 249 Ca 0.02 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1mjf h ARG 249 Cb 1.07 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.00 1mjf h ARG 249 CO 0.11 0.72 0.41 0.00 -1.07 0.00 0.00 179.97 180.14 1mjf h ALA 250 N 1.32 1.12 0.00 0.04 0.00 -0.97 -2.72 119.26 118.06 1mjf h ALA 250 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1mjf h ALA 250 Cb 0.48 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mjf h ALA 250 CO 0.02 0.66 -0.08 0.87 0.00 0.00 0.00 179.25 180.72 1mjf h LYS 251 N 1.21 0.00 0.00 0.00 1.57 -1.27 -2.14 116.57 115.94 1mjf h LYS 251 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1mjf h LYS 251 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1mjf h LYS 251 CO -0.04 0.08 0.00 0.87 -0.57 0.00 0.00 179.45 179.80 1mjf h LYS 252 N 0.00 0.00 -6.95 3.15 6.56 -1.53 -3.46 116.57 114.34 1mjf h LYS 252 Ca -0.00 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.11 1mjf h LYS 252 Cb 0.17 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.84 1mjf h LYS 252 CO 0.01 0.00 0.41 -0.51 -2.06 0.00 0.00 179.45 177.30 1mjf s LEU 253 N -4.94 4.17 -0.46 2.94 1.43 -0.81 -5.02 118.68 115.99 1mjf s LEU 253 Ca 0.09 2.02 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 1mjf s LEU 253 Cb 0.10 -4.16 0.03 0.00 0.03 0.00 0.00 46.19 42.20 1mjf s LEU 253 CO 0.60 -0.43 0.79 -1.10 0.23 0.00 0.00 176.35 176.44 1mjf s GLN 254 N -2.43 3.39 -0.01 1.70 -0.21 -1.26 -5.04 119.66 115.79 1mjf s GLN 254 Ca 0.57 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.81 1mjf s GLN 254 Cb -0.22 -3.95 -0.00 0.00 1.00 0.00 0.00 33.01 29.84 1mjf s GLN 254 CO 0.27 -1.16 -0.05 -0.51 -2.12 0.00 0.00 175.29 171.73 1mjf s LEU 255 N 3.33 1.91 -0.00 2.90 1.43 -1.26 -5.03 118.68 121.96 1mjf s LEU 255 Ca 0.29 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1mjf s LEU 255 Cb -0.12 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 1mjf s LEU 255 CO 0.22 0.05 0.07 -0.62 0.23 0.00 0.00 176.35 176.30 1mjf n GLU 256 N 3.09 1.69 0.03 1.70 -0.58 -1.26 -4.97 120.64 120.34 1mjf n GLU 256 Ca -0.15 -0.02 -0.00 0.00 -0.42 0.00 0.00 57.16 56.58 1mjf n GLU 256 Cb 0.57 -0.95 -0.00 0.00 -0.57 0.00 0.00 31.44 30.50 1mjf n GLU 256 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1mjf n TYR 257 N -1.45 0.00 -2.03 -0.32 4.01 -1.26 -5.00 117.16 111.10 1mjf n TYR 257 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1mjf n TYR 257 Cb 0.06 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1mjf n TYR 257 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1mjf s TYR 258 N -1.63 3.12 -0.71 -0.72 5.04 -1.26 -4.98 117.35 116.21 1mjf s TYR 258 Ca -0.00 0.84 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1mjf s TYR 258 Cb 0.00 -3.82 0.18 0.00 0.35 0.00 0.00 41.96 38.67 1mjf s TYR 258 CO 0.00 -2.88 0.53 0.34 -1.34 0.00 0.00 175.55 172.21 1mjf s ASP 259 N 0.92 5.27 0.56 4.32 2.15 -1.26 -4.92 116.67 123.71 1mjf s ASP 259 Ca 0.65 -3.33 0.25 0.00 0.43 0.00 0.00 52.55 50.56 1mjf s ASP 259 Cb -0.41 -1.80 1.54 0.00 -0.30 0.00 0.00 42.92 41.95 1mjf s ASP 259 CO 0.34 -0.24 2.11 1.55 -0.17 0.00 0.00 175.17 178.76 1mjf h PRO 260 N 6.34 0.00 0.00 4.34 0.13 -1.95 -0.05 132.00 140.82 1mjf h PRO 260 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 1mjf h PRO 260 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1mjf h PRO 260 CO 0.75 0.00 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.31 1mjf h LEU 261 N 0.00 0.00 -4.41 1.56 3.38 -1.97 -2.68 115.31 111.19 1mjf h LEU 261 Ca 0.09 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.42 1mjf h LEU 261 Cb 0.41 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.80 1mjf h LEU 261 CO -0.00 0.15 -0.11 0.23 0.09 0.00 0.00 178.44 178.80 1mjf n MET 262 N -3.37 3.21 -0.05 1.13 2.81 -0.04 -4.87 117.12 115.93 1mjf n MET 262 Ca -0.00 -4.04 0.03 0.00 -1.81 0.00 0.00 57.70 51.88 1mjf n MET 262 Cb 0.35 -2.27 0.38 0.00 -0.71 0.00 0.00 33.22 30.97 1mjf n MET 262 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1mjf h HIS 263 N 2.53 0.62 -0.39 2.03 6.17 -1.34 -1.22 115.15 123.54 1mjf h HIS 263 Ca 0.42 0.01 0.11 0.00 0.71 0.00 0.00 60.37 61.63 1mjf h HIS 263 Cb 0.82 -0.21 -0.02 0.00 2.52 0.00 0.00 27.41 30.52 1mjf h HIS 263 CO 0.99 0.39 0.30 1.05 0.71 0.00 0.00 177.93 181.38 1mjf h GLU 264 N 0.67 0.00 0.00 5.26 9.09 -1.88 -1.47 114.58 126.25 1mjf h GLU 264 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1mjf h GLU 264 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1mjf h GLU 264 CO -0.04 0.00 0.00 1.79 0.05 0.00 0.00 179.01 180.81 1mjf h THR 265 N 0.00 0.00 -0.87 -1.06 1.35 -1.59 -3.23 112.91 107.50 1mjf h THR 265 Ca 0.18 -0.53 0.22 0.00 -0.55 0.00 0.00 66.41 65.73 1mjf h THR 265 Cb 0.79 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 68.62 1mjf h THR 265 CO -0.00 0.00 0.60 0.25 -0.25 0.00 0.00 175.52 176.12 1mjf h LEU 266 N 0.00 0.24 -1.41 3.87 5.85 -1.37 -2.74 115.31 119.75 1mjf h LEU 266 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1mjf h LEU 266 Cb 0.64 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1mjf h LEU 266 CO 0.00 0.09 0.00 0.49 -0.34 0.00 0.00 178.44 178.68 1mjf n PHE 267 N -4.42 0.46 -1.72 1.25 3.72 -1.22 -2.89 117.46 112.64 1mjf n PHE 267 Ca 0.18 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1mjf n PHE 267 Cb 0.78 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 39.16 1mjf n PHE 267 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1mjf n GLN 268 N 0.13 2.46 -3.64 -1.08 7.27 -1.04 -4.81 117.38 116.67 1mjf n GLN 268 Ca 0.07 0.87 -0.05 0.00 0.07 0.00 0.00 57.00 57.97 1mjf n GLN 268 Cb 0.41 -2.59 -0.07 0.00 2.41 0.00 0.00 30.24 30.40 1mjf n GLN 268 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1mjf s MET 269 N -0.81 0.53 0.28 3.69 1.75 -1.26 -3.34 119.30 120.13 1mjf s MET 269 Ca 0.63 0.91 -0.27 0.00 -1.25 0.00 0.00 55.69 55.70 1mjf s MET 269 Cb -0.54 0.11 -0.15 0.00 2.84 0.00 0.00 34.83 37.09 1mjf s MET 269 CO 0.52 -0.11 0.84 -2.30 -0.65 0.00 0.00 175.02 173.32 1mjf n PRO 270 N 3.95 0.92 -0.19 4.11 -0.02 -1.26 -4.71 135.00 137.80 1mjf n PRO 270 Ca -0.19 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.56 1mjf n PRO 270 Cb 0.58 -1.59 0.05 0.00 -0.02 0.00 0.00 33.50 32.51 1mjf n PRO 270 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1mjf h LYS 271 N 1.60 0.65 -0.07 -0.52 3.64 -2.01 -1.61 116.57 118.24 1mjf h LYS 271 Ca -0.37 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 1mjf h LYS 271 Cb 1.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1mjf h LYS 271 CO 0.59 0.43 -0.10 0.10 -2.27 0.00 0.00 179.45 178.20 1mjf h TYR 272 N 0.66 0.10 0.01 1.91 -0.00 -2.00 -0.32 116.97 117.34 1mjf h TYR 272 Ca 0.22 -0.01 -0.20 0.00 0.00 0.00 0.00 58.73 58.75 1mjf h TYR 272 Cb 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 36.73 36.73 1mjf h TYR 272 CO -0.06 0.20 -0.78 0.82 -0.00 0.00 0.00 178.16 178.34 1mjf h ILE 273 N 0.10 1.38 -0.38 -0.90 2.04 -1.78 -2.45 117.51 115.52 1mjf h ILE 273 Ca 0.02 -2.17 0.07 0.00 1.00 0.00 0.00 64.86 63.78 1mjf h ILE 273 Cb 0.24 2.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1mjf h ILE 273 CO 0.01 0.65 -0.02 -0.09 0.00 0.00 0.00 178.15 178.70 1mjf h ARG 274 N 0.05 0.08 -0.45 2.37 2.43 -0.59 -1.75 114.38 116.52 1mjf h ARG 274 Ca -0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1mjf h ARG 274 Cb 1.48 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.99 1mjf h ARG 274 CO 0.15 0.05 0.25 0.93 -1.51 0.00 0.00 179.97 179.85 1mjf h GLU 275 N 0.08 0.62 -0.83 0.20 5.08 -1.13 -2.05 114.58 116.56 1mjf h GLU 275 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1mjf h GLU 275 Cb 0.27 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1mjf h GLU 275 CO -0.32 0.49 0.43 1.15 -1.00 0.00 0.00 179.01 179.75 1mjf h THR 276 N 0.59 1.25 -0.10 1.13 2.02 -1.19 -2.77 112.91 113.84 1mjf h THR 276 Ca 0.16 -0.67 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 1mjf h THR 276 Cb 0.05 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1mjf h THR 276 CO -0.03 0.29 -0.49 -0.07 0.37 0.00 0.00 175.52 175.60 1mjf h LEU 277 N 1.17 0.27 -0.45 2.58 3.38 -1.09 -3.52 115.31 117.65 1mjf h LEU 277 Ca 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1mjf h LEU 277 Cb 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mjf h LEU 277 CO -0.04 0.71 0.00 0.00 0.09 0.00 0.00 178.44 179.20