#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfs h LEU 6 N 0.00 0.41 -6.01 -1.84 6.46 -2.05 -3.41 115.31 108.87 2dfs h LEU 6 Ca 0.00 -0.90 -0.61 0.00 -0.12 0.00 0.00 57.88 56.25 2dfs h LEU 6 Cb 0.00 -0.13 0.02 0.00 -0.73 0.00 0.00 40.66 39.82 2dfs h LEU 6 CO 0.00 1.48 2.70 -1.22 -0.62 0.00 0.00 178.44 180.78 2dfs n TYR 7 N -4.06 2.19 -2.78 1.25 4.02 -1.26 -4.91 117.16 111.62 2dfs n TYR 7 Ca -0.19 -2.22 -0.25 0.00 -0.01 0.00 0.00 57.90 55.23 2dfs n TYR 7 Cb 0.85 -1.96 0.01 0.00 -0.02 0.00 0.00 39.34 38.22 2dfs n TYR 7 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2dfs s THR 8 N 3.99 4.07 0.30 -0.72 -4.23 -1.26 -1.76 115.64 116.03 2dfs s THR 8 Ca 0.52 -0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.49 2dfs s THR 8 Cb 0.14 -3.54 -0.12 0.00 1.34 0.00 0.00 72.50 70.32 2dfs s THR 8 CO 0.02 -0.45 1.50 0.29 -0.54 0.00 0.00 174.62 175.43 2dfs n LYS 9 N -2.25 2.48 -3.07 3.99 5.02 -1.26 -3.02 118.16 120.06 2dfs n LYS 9 Ca 0.02 0.88 -0.13 0.00 -2.02 0.00 0.00 58.31 57.06 2dfs n LYS 9 Cb 0.57 -2.60 0.06 0.00 -0.02 0.00 0.00 35.03 33.05 2dfs n LYS 9 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2dfs n TYR 10 N 1.53 -1.65 -4.17 2.13 4.02 -0.93 -5.01 117.16 113.08 2dfs n TYR 10 Ca 0.07 0.69 -0.16 0.00 -0.01 0.00 0.00 57.90 58.49 2dfs n TYR 10 Cb 0.36 -4.22 -0.11 0.00 -0.02 0.00 0.00 39.34 35.34 2dfs n TYR 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dfs s ALA 11 N -3.26 1.14 0.08 -0.72 0.00 -1.17 -5.01 121.76 112.84 2dfs s ALA 11 Ca 0.04 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 50.99 2dfs s ALA 11 Cb -0.02 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2dfs s ALA 11 CO 0.53 0.06 -0.23 1.03 0.00 0.00 0.00 175.76 177.16 2dfs s ARG 12 N -2.26 1.35 0.25 0.00 0.52 -1.26 -2.06 118.95 115.48 2dfs s ARG 12 Ca 0.02 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 2dfs s ARG 12 Cb -0.07 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.75 2dfs s ARG 12 CO 0.01 0.39 0.09 0.14 0.02 0.00 0.00 175.30 175.96 2dfs s VAL 13 N -0.99 0.52 -0.12 3.52 -7.23 -0.11 -1.20 120.40 114.80 2dfs s VAL 13 Ca 0.09 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2dfs s VAL 13 Cb -0.10 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2dfs s VAL 13 CO 0.04 -0.03 -0.08 0.26 -0.31 0.00 0.00 175.10 174.98 2dfs s TRP 14 N -3.78 2.92 0.13 2.82 0.52 -0.03 -1.10 118.94 120.41 2dfs s TRP 14 Ca 0.37 -0.32 0.11 0.00 0.02 0.00 0.00 56.10 56.28 2dfs s TRP 14 Cb 0.08 -1.85 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2dfs s TRP 14 CO 0.13 0.01 -0.25 0.96 0.02 0.00 0.00 176.95 177.82 2dfs s ILE 15 N 0.03 2.39 0.70 2.03 -4.36 -0.21 -3.72 121.20 118.05 2dfs s ILE 15 Ca -0.02 -1.70 -0.16 0.00 -0.26 0.00 0.00 60.65 58.51 2dfs s ILE 15 Cb -0.14 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.53 2dfs s ILE 15 CO 0.03 0.10 1.25 -2.16 0.24 0.00 0.00 174.94 174.40 2dfs s PRO 16 N -2.06 2.29 -0.06 0.37 0.04 -1.26 -0.51 135.00 133.81 2dfs s PRO 16 Ca 0.15 1.92 -0.07 0.00 0.04 0.00 0.00 61.00 63.03 2dfs s PRO 16 Cb -0.10 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2dfs s PRO 16 CO 0.07 -1.76 0.19 0.34 0.04 0.00 0.00 177.00 175.88 2dfs s ASP 17 N -1.71 -0.16 0.23 6.66 3.68 -0.55 -4.63 116.67 120.19 2dfs s ASP 17 Ca 0.78 0.26 0.25 0.00 2.13 0.00 0.00 52.55 55.97 2dfs s ASP 17 Cb -0.33 0.36 0.58 0.00 -1.45 0.00 0.00 42.92 42.07 2dfs s ASP 17 CO 0.43 -0.15 1.60 1.55 0.13 0.00 0.00 175.17 178.73 2dfs h PRO 18 N 5.42 0.00 0.00 4.34 0.13 -1.97 -2.79 132.00 137.12 2dfs h PRO 18 Ca -0.27 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.49 2dfs h PRO 18 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2dfs h PRO 18 CO 0.39 0.00 -2.03 0.39 -0.23 0.00 0.00 178.00 176.52 2dfs n GLU 19 N -2.39 0.58 -0.08 0.86 -0.58 -1.26 -4.61 120.64 113.15 2dfs n GLU 19 Ca 0.04 0.39 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 2dfs n GLU 19 Cb 0.46 -1.60 0.08 0.00 -0.57 0.00 0.00 31.44 29.80 2dfs n GLU 19 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2dfs n GLU 20 N -4.29 2.74 0.00 3.49 2.13 -1.26 -4.81 120.64 118.64 2dfs n GLU 20 Ca -0.45 -1.72 0.00 0.00 0.66 0.00 0.00 57.16 55.64 2dfs n GLU 20 Cb 0.81 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.38 2dfs n GLU 20 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2dfs n VAL 21 N 0.04 0.00 -3.72 6.31 0.31 -1.05 -4.77 118.33 115.44 2dfs n VAL 21 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 2dfs n VAL 21 Cb 0.33 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.10 2dfs n VAL 21 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2dfs s TRP 22 N 0.00 -0.04 0.20 3.52 0.52 -1.26 -1.49 118.94 120.39 2dfs s TRP 22 Ca 0.00 0.31 0.09 0.00 0.02 0.00 0.00 56.10 56.52 2dfs s TRP 22 Cb 0.00 -0.27 -0.04 0.00 -1.15 0.00 0.00 33.47 32.01 2dfs s TRP 22 CO 0.00 -0.16 -0.08 0.21 0.02 0.00 0.00 176.95 176.94 2dfs s LYS 23 N 1.56 2.10 -0.03 4.98 2.20 0.33 -4.89 119.74 126.00 2dfs s LYS 23 Ca -0.04 -1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 54.08 2dfs s LYS 23 Cb -0.12 -2.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.99 2dfs s LYS 23 CO -0.04 0.42 0.56 0.45 -0.36 0.00 0.00 175.35 176.38 2dfs s SER 24 N -2.98 6.91 0.12 1.43 0.15 -1.26 -1.04 113.70 117.02 2dfs s SER 24 Ca 0.26 1.08 0.03 0.00 0.70 0.00 0.00 55.95 58.02 2dfs s SER 24 Cb -0.08 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2dfs s SER 24 CO 0.16 0.10 -0.09 0.00 1.20 0.00 0.00 173.24 174.61 2dfs s ALA 25 N -0.11 1.24 -0.03 5.45 0.00 -0.26 -4.62 121.76 123.44 2dfs s ALA 25 Ca 0.30 -1.41 0.05 0.00 0.00 0.00 0.00 51.96 50.90 2dfs s ALA 25 Cb -0.17 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2dfs s ALA 25 CO 0.16 -0.14 -0.18 -2.00 0.00 0.00 0.00 175.76 173.59 2dfs s GLU 26 N -3.67 1.67 -0.21 0.00 2.12 -1.17 -0.93 118.70 116.52 2dfs s GLU 26 Ca 0.14 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.52 2dfs s GLU 26 Cb 0.03 -1.53 -0.03 0.00 0.26 0.00 0.00 34.13 32.86 2dfs s GLU 26 CO -0.01 0.33 1.65 -0.51 -0.54 0.00 0.00 175.26 176.17 2dfs s LEU 27 N -0.22 3.90 0.15 2.70 1.02 -0.88 -2.67 118.68 122.68 2dfs s LEU 27 Ca 0.02 1.67 -0.12 0.00 0.02 0.00 0.00 54.13 55.72 2dfs s LEU 27 Cb -0.09 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.59 2dfs s LEU 27 CO 0.01 -1.27 1.56 -0.07 0.02 0.00 0.00 176.35 176.60 2dfs h LEU 28 N 11.75 0.91 -9.02 1.79 3.38 -1.25 -2.47 115.31 120.40 2dfs h LEU 28 Ca -0.34 -0.35 -0.55 0.00 0.09 0.00 0.00 57.88 56.72 2dfs h LEU 28 Cb 1.16 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.51 2dfs h LEU 28 CO 1.00 1.05 -0.76 -1.59 0.09 0.00 0.00 178.44 178.23 2dfs s LYS 29 N -4.83 1.48 0.45 1.13 -2.85 -1.26 -4.86 119.74 109.00 2dfs s LYS 29 Ca -0.12 -1.62 -0.25 0.00 -1.00 0.00 0.00 55.97 52.98 2dfs s LYS 29 Cb 0.12 -1.50 -0.08 0.00 -2.06 0.00 0.00 37.83 34.30 2dfs s LYS 29 CO 0.84 0.28 1.38 -0.51 0.10 0.00 0.00 175.35 177.45 2dfs s ASP 30 N -3.19 5.95 0.04 0.03 1.01 -1.26 -4.36 116.67 114.90 2dfs s ASP 30 Ca 0.24 2.83 -0.30 0.00 0.71 0.00 0.00 52.55 56.02 2dfs s ASP 30 Cb -0.04 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.18 2dfs s ASP 30 CO 0.10 -1.11 1.30 -0.47 0.21 0.00 0.00 175.17 175.20 2dfs s TYR 31 N -1.23 3.19 -0.20 4.23 5.04 -0.72 -4.94 117.35 122.71 2dfs s TYR 31 Ca 0.61 1.08 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 2dfs s TYR 31 Cb -0.42 -3.55 -0.02 0.00 0.35 0.00 0.00 41.96 38.32 2dfs s TYR 31 CO 0.53 -1.85 -0.00 0.21 -1.34 0.00 0.00 175.55 173.10 2dfs s LYS 32 N 1.62 3.63 0.09 4.97 2.47 -1.26 -4.80 119.74 126.45 2dfs s LYS 32 Ca 0.61 -0.52 -0.35 0.00 -1.56 0.00 0.00 55.97 54.15 2dfs s LYS 32 Cb -0.31 -3.07 -0.15 0.00 -1.46 0.00 0.00 37.83 32.84 2dfs s LYS 32 CO 0.28 0.03 1.52 -2.30 0.16 0.00 0.00 175.35 175.03 2dfs n PRO 33 N 4.20 1.70 -0.57 4.03 -0.02 -1.26 -1.38 135.00 141.69 2dfs n PRO 33 Ca -0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2dfs n PRO 33 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2dfs n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dfs n GLY 34 N 3.18 0.77 3.64 -1.23 0.00 -1.26 -5.08 105.19 105.21 2dfs n GLY 34 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2dfs n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfs n ASP 35 N 0.00 1.31 0.04 1.61 8.00 -0.48 -4.97 116.55 122.06 2dfs n ASP 35 Ca 0.00 0.89 0.11 0.00 0.71 0.00 0.00 54.79 56.50 2dfs n ASP 35 Cb 0.00 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.70 2dfs n ASP 35 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2dfs n LYS 36 N -0.81 0.36 -3.83 -1.24 2.85 -1.26 -4.99 118.16 109.24 2dfs n LYS 36 Ca 0.12 0.02 -0.10 0.00 -1.05 0.00 0.00 58.31 57.30 2dfs n LYS 36 Cb 0.45 -1.64 -0.08 0.00 -0.65 0.00 0.00 35.03 33.12 2dfs n LYS 36 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2dfs s VAL 37 N -3.24 0.11 0.23 0.58 -7.23 -1.26 -1.87 120.40 107.72 2dfs s VAL 37 Ca 0.03 -0.94 0.09 0.00 -1.81 0.00 0.00 61.98 59.34 2dfs s VAL 37 Cb 0.13 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2dfs s VAL 37 CO 0.80 -0.52 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.27 2dfs s LEU 38 N -2.33 3.14 -0.20 1.32 1.43 -0.13 -4.95 118.68 116.97 2dfs s LEU 38 Ca -0.02 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 2dfs s LEU 38 Cb 0.01 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 2dfs s LEU 38 CO -0.06 0.04 -0.10 -1.10 0.23 0.00 0.00 176.35 175.36 2dfs s GLN 39 N -3.34 3.27 0.43 1.70 -1.52 -1.26 -0.51 119.66 118.42 2dfs s GLN 39 Ca 0.29 -0.69 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2dfs s GLN 39 Cb -0.07 -2.83 -0.02 0.00 -0.22 0.00 0.00 33.01 29.86 2dfs s GLN 39 CO 0.18 -0.14 0.10 -0.51 -0.25 0.00 0.00 175.29 174.67 2dfs s LEU 40 N 1.25 2.08 -0.06 2.90 1.43 -0.38 -0.76 118.68 125.15 2dfs s LEU 40 Ca 0.03 -1.65 -0.07 0.00 -1.03 0.00 0.00 54.13 51.41 2dfs s LEU 40 Cb -0.14 -0.27 0.02 0.00 0.03 0.00 0.00 46.19 45.82 2dfs s LEU 40 CO -0.04 -0.89 0.18 0.00 0.23 0.00 0.00 176.35 175.82 2dfs s ARG 41 N -3.75 0.27 0.00 1.70 1.70 -1.09 -3.70 118.95 114.07 2dfs s ARG 41 Ca 0.21 0.13 0.00 0.00 -0.47 0.00 0.00 55.73 55.60 2dfs s ARG 41 Cb 0.03 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.53 2dfs s ARG 41 CO 0.12 -0.04 0.00 1.28 -1.08 0.00 0.00 175.30 175.58 2dfs n LEU 42 N 2.68 0.00 -0.07 -1.89 4.77 -1.26 -3.04 117.00 118.20 2dfs n LEU 42 Ca -0.14 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 2dfs n LEU 42 Cb 0.58 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 42.14 2dfs n LEU 42 CO 0.20 0.00 0.73 -1.84 -1.33 0.00 0.00 177.39 175.15 2dfs n GLU 43 N 0.00 0.32 -0.03 3.23 0.28 -1.26 -3.70 120.64 119.48 2dfs n GLU 43 Ca 0.00 -0.13 -0.02 0.00 -0.16 0.00 0.00 57.16 56.85 2dfs n GLU 43 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.37 2dfs n GLU 43 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2dfs n GLU 44 N -1.23 0.18 0.00 3.44 0.00 -1.26 -5.11 120.64 116.67 2dfs n GLU 44 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 57.16 57.56 2dfs n GLU 44 Cb 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 31.44 30.69 2dfs n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dfs n GLY 45 N 1.66 0.11 0.00 8.31 0.00 -1.24 -5.11 105.19 108.91 2dfs n GLY 45 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2dfs n GLY 45 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2dfs n LYS 46 N -0.84 0.00 0.01 1.61 -0.00 -1.26 -4.46 118.16 113.22 2dfs n LYS 46 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.30 2dfs n LYS 46 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2dfs n LYS 46 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2dfs n ASP 47 N 0.00 0.32 -4.83 -5.58 5.75 -1.24 -4.97 116.55 105.99 2dfs n ASP 47 Ca 0.00 0.04 -0.35 0.00 -0.01 0.00 0.00 54.79 54.47 2dfs n ASP 47 Cb 0.00 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 2dfs n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2dfs s LEU 48 N -6.28 4.27 -0.22 -2.12 2.96 -1.25 -4.96 118.68 111.08 2dfs s LEU 48 Ca -0.01 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 55.08 2dfs s LEU 48 Cb 0.00 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 2dfs s LEU 48 CO 0.01 -0.01 0.26 -0.70 -1.32 0.00 0.00 176.35 174.59 2dfs s GLU 49 N -2.23 4.13 -0.38 1.98 2.12 -1.26 -1.24 118.70 121.82 2dfs s GLU 49 Ca 0.45 -0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.59 2dfs s GLU 49 Cb -0.15 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.74 2dfs s GLU 49 CO 0.20 0.05 0.23 -0.47 -0.54 0.00 0.00 175.26 174.73 2dfs s TYR 50 N 1.07 3.23 0.29 5.30 5.04 0.33 -4.94 117.35 127.67 2dfs s TYR 50 Ca 0.12 -0.75 -0.29 0.00 -2.44 0.00 0.00 57.07 53.71 2dfs s TYR 50 Cb -0.14 -2.48 -0.10 0.00 0.35 0.00 0.00 41.96 39.59 2dfs s TYR 50 CO 0.05 -0.59 1.44 0.00 -1.34 0.00 0.00 175.55 175.11 2dfs s LEU 52 N -0.92 4.08 0.15 0.00 1.43 -0.78 -4.95 118.68 117.69 2dfs s LEU 52 Ca 0.57 0.22 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 2dfs s LEU 52 Cb -0.43 -2.03 -0.11 0.00 0.03 0.00 0.00 46.19 43.65 2dfs s LEU 52 CO 0.49 0.23 1.76 -0.62 0.23 0.00 0.00 176.35 178.44 2dfs s ASP 53 N 0.05 6.43 0.21 2.29 -1.08 -1.26 -4.90 116.67 118.41 2dfs s ASP 53 Ca 0.08 2.76 0.24 0.00 -0.52 0.00 0.00 52.55 55.11 2dfs s ASP 53 Cb -0.12 -2.58 0.44 0.00 -1.46 0.00 0.00 42.92 39.20 2dfs s ASP 53 CO -0.00 -0.97 1.47 1.55 0.52 0.00 0.00 175.17 177.73 2dfs h PRO 54 N 7.87 0.00 0.00 4.34 0.13 -1.97 -1.01 132.00 141.36 2dfs h PRO 54 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2dfs h PRO 54 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2dfs h PRO 54 CO 0.95 0.00 -0.31 1.57 -0.23 0.00 0.00 178.00 179.98 2dfs h LYS 55 N 0.00 0.00 0.00 0.86 2.10 -2.03 -3.38 116.57 114.12 2dfs h LYS 55 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 2dfs h LYS 55 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2dfs h LYS 55 CO 0.00 0.18 -1.36 0.25 -2.00 0.00 0.00 179.45 176.52 2dfs n THR 56 N -3.10 0.37 -1.18 0.07 -2.24 -1.20 -5.01 114.28 101.99 2dfs n THR 56 Ca 0.02 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2dfs n THR 56 Cb 0.61 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2dfs n THR 56 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2dfs n LYS 57 N -2.45 -1.26 -0.89 -0.78 3.00 -0.39 -4.98 118.16 110.41 2dfs n LYS 57 Ca -0.10 0.63 -0.30 0.00 -0.00 0.00 0.00 58.31 58.54 2dfs n LYS 57 Cb 0.64 -4.72 0.17 0.00 0.00 0.00 0.00 35.03 31.12 2dfs n LYS 57 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2dfs s GLU 58 N -2.18 0.84 0.07 1.64 -1.05 -1.26 -4.97 118.70 111.79 2dfs s GLU 58 Ca 0.00 1.13 0.07 0.00 -0.15 0.00 0.00 54.97 56.02 2dfs s GLU 58 Cb 0.00 -1.74 -0.03 0.00 -0.44 0.00 0.00 34.13 31.92 2dfs s GLU 58 CO 0.00 -2.62 -0.18 -0.51 0.95 0.00 0.00 175.26 172.90 2dfs s LEU 59 N -6.53 2.24 0.46 1.83 1.43 -1.26 -4.70 118.68 112.16 2dfs s LEU 59 Ca 0.65 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 2dfs s LEU 59 Cb -0.21 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.14 2dfs s LEU 59 CO 0.59 0.05 1.04 -2.16 0.23 0.00 0.00 176.35 176.10 2dfs s PRO 60 N -1.57 3.90 0.34 1.29 0.04 -1.26 -4.95 135.00 132.78 2dfs s PRO 60 Ca 0.04 1.38 -0.28 0.00 0.04 0.00 0.00 61.00 62.19 2dfs s PRO 60 Cb -0.09 -2.20 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 2dfs s PRO 60 CO 0.03 -0.34 1.16 -1.25 0.04 0.00 0.00 177.00 176.63 2dfs s PRO 61 N -3.07 4.37 0.50 0.56 0.04 -1.24 -4.72 135.00 131.43 2dfs s PRO 61 Ca 0.65 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 63.38 2dfs s PRO 61 Cb -0.17 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 2dfs s PRO 61 CO 0.21 -0.05 0.99 -0.51 0.04 0.00 0.00 177.00 177.68 2dfs s LEU 62 N -1.93 3.71 -0.22 -3.56 1.43 -1.26 -0.85 118.68 115.99 2dfs s LEU 62 Ca 0.50 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 2dfs s LEU 62 Cb -0.32 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.32 2dfs s LEU 62 CO 0.41 -0.61 0.17 -0.60 0.23 0.00 0.00 176.35 175.95 2dfs s ARG 63 N -3.76 4.12 0.60 1.70 3.52 -0.34 -4.79 118.95 120.00 2dfs s ARG 63 Ca 0.61 -0.22 -0.18 0.00 -0.13 0.00 0.00 55.73 55.81 2dfs s ARG 63 Cb -0.11 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.74 2dfs s ARG 63 CO 0.26 0.15 0.95 0.09 -0.81 0.00 0.00 175.30 175.94 2dfs n ASN 64 N 4.00 0.73 -4.77 -2.12 3.02 -1.26 -4.78 115.26 110.08 2dfs n ASN 64 Ca -0.15 0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 54.83 2dfs n ASN 64 Cb 0.52 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.28 2dfs n ASN 64 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dfs s PRO 65 N -2.73 4.10 0.54 3.52 0.04 -1.26 -4.93 135.00 134.28 2dfs s PRO 65 Ca 0.75 1.71 0.27 0.00 0.04 0.00 0.00 61.00 63.78 2dfs s PRO 65 Cb -0.42 -2.64 1.55 0.00 0.04 0.00 0.00 34.50 33.03 2dfs s PRO 65 CO 0.47 -0.24 2.13 -0.44 0.04 0.00 0.00 177.00 178.96 2dfs h ASP 66 N 2.61 0.00 -0.31 6.66 3.32 -1.95 -1.05 116.42 125.71 2dfs h ASP 66 Ca -0.48 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 2dfs h ASP 66 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2dfs h ASP 66 CO 0.62 0.08 0.19 -0.29 -1.72 0.00 0.00 179.24 178.13 2dfs h ILE 67 N 0.00 1.09 -0.46 0.35 -0.00 -2.04 -2.66 117.51 113.79 2dfs h ILE 67 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 64.86 64.66 2dfs h ILE 67 Cb 0.23 0.64 0.00 0.00 -0.00 0.00 0.00 36.82 37.69 2dfs h ILE 67 CO 0.01 0.09 0.00 0.18 -0.00 0.00 0.00 178.15 178.43 2dfs n LEU 68 N -4.47 3.96 -4.23 2.19 4.77 -0.40 -4.87 117.00 113.95 2dfs n LEU 68 Ca 0.02 -2.00 -0.34 0.00 -0.03 0.00 0.00 56.01 53.66 2dfs n LEU 68 Cb 0.08 -0.55 -0.15 0.00 -2.33 0.00 0.00 43.42 40.47 2dfs n LEU 68 CO 0.35 0.59 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.84 2dfs s VAL 69 N -1.96 2.67 0.00 4.08 1.01 -1.01 -4.48 120.40 120.71 2dfs s VAL 69 Ca 0.39 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2dfs s VAL 69 Cb 0.27 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2dfs s VAL 69 CO 0.16 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2dfs n GLY 70 N 4.49 2.17 2.42 4.51 0.00 -1.26 -5.01 105.19 112.50 2dfs n GLY 70 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2dfs n GLY 70 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dfs n GLU 71 N -0.21 0.00 0.21 1.61 -0.58 -1.26 -4.89 120.64 115.52 2dfs n GLU 71 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2dfs n GLU 71 Cb 0.00 -0.75 0.40 0.00 -0.57 0.00 0.00 31.44 30.52 2dfs n GLU 71 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2dfs h ASN 72 N -0.07 0.00 -4.19 1.62 2.35 -1.97 -3.44 115.58 109.88 2dfs h ASN 72 Ca -0.31 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.84 2dfs h ASN 72 Cb 1.08 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.21 2dfs h ASN 72 CO 0.30 0.00 -0.84 -0.62 -1.65 0.00 0.00 177.43 174.62 2dfs s ASP 73 N -5.60 2.68 0.22 5.81 2.15 -1.26 -1.00 116.67 119.66 2dfs s ASP 73 Ca 0.05 -0.63 0.25 0.00 0.43 0.00 0.00 52.55 52.66 2dfs s ASP 73 Cb 0.08 -0.19 0.60 0.00 -0.30 0.00 0.00 42.92 43.11 2dfs s ASP 73 CO 0.59 0.13 1.62 -0.07 -0.17 0.00 0.00 175.17 177.27 2dfs h LEU 74 N 4.40 0.00 0.00 -1.34 3.38 -1.72 -3.33 115.31 116.70 2dfs h LEU 74 Ca -0.46 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2dfs h LEU 74 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2dfs h LEU 74 CO 0.41 0.03 -0.55 0.41 0.09 0.00 0.00 178.44 178.83 2dfs n THR 75 N -2.36 0.15 -0.16 0.22 -1.04 -1.26 -2.90 114.28 106.93 2dfs n THR 75 Ca 0.05 -0.12 0.05 0.00 -2.04 0.00 0.00 64.05 61.99 2dfs n THR 75 Cb 0.45 0.06 0.35 0.00 -1.82 0.00 0.00 70.33 69.37 2dfs n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dfs h ALA 76 N 2.78 1.68 -2.57 2.41 0.00 -1.84 -3.36 119.26 118.37 2dfs h ALA 76 Ca 0.00 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.36 2dfs h ALA 76 Cb 0.61 -0.20 0.05 0.00 0.00 0.00 0.00 17.79 18.24 2dfs h ALA 76 CO 0.00 0.23 1.09 -0.51 0.00 0.00 0.00 179.25 180.06 2dfs s LEU 77 N -9.69 4.39 0.06 0.00 1.43 -1.14 -4.87 118.68 108.86 2dfs s LEU 77 Ca -0.10 2.82 -0.16 0.00 -1.03 0.00 0.00 54.13 55.66 2dfs s LEU 77 Cb 0.19 -3.58 -0.17 0.00 0.03 0.00 0.00 46.19 42.66 2dfs s LEU 77 CO 0.77 -1.01 1.26 -1.28 0.23 0.00 0.00 176.35 176.32 2dfs h SER 78 N 8.01 0.71 -3.14 2.29 0.87 -1.90 -3.36 113.55 117.03 2dfs h SER 78 Ca -0.45 -0.63 -0.74 0.00 -1.23 0.00 0.00 61.79 58.74 2dfs h SER 78 Cb 1.21 -0.21 -0.22 0.00 -0.44 0.00 0.00 62.40 62.74 2dfs h SER 78 CO 0.95 1.22 0.13 -0.31 -0.53 0.00 0.00 176.83 178.29 2dfs s TYR 79 N -3.73 3.28 -0.52 2.24 2.02 -1.26 -0.57 117.35 118.82 2dfs s TYR 79 Ca -0.12 -1.38 -0.13 0.00 -0.37 0.00 0.00 57.07 55.07 2dfs s TYR 79 Cb 0.06 -3.95 0.13 0.00 -0.40 0.00 0.00 41.96 37.80 2dfs s TYR 79 CO 0.85 -1.18 0.44 -1.17 -1.57 0.00 0.00 175.55 172.92 2dfs s LEU 80 N 1.74 5.97 0.24 -1.29 2.96 -1.26 -4.76 118.68 122.29 2dfs s LEU 80 Ca 0.14 -1.88 -0.22 0.00 -0.22 0.00 0.00 54.13 51.95 2dfs s LEU 80 Cb -0.19 -2.12 0.03 0.00 0.50 0.00 0.00 46.19 44.42 2dfs s LEU 80 CO -0.01 -0.77 0.69 -1.38 -1.32 0.00 0.00 176.35 173.56 2dfs s HIS 81 N 1.43 -0.28 0.20 5.38 -3.43 -1.26 -4.87 115.29 112.46 2dfs s HIS 81 Ca 0.05 -0.11 -0.22 0.00 -0.80 0.00 0.00 55.06 53.98 2dfs s HIS 81 Cb -0.28 0.67 0.12 0.00 -1.43 0.00 0.00 32.58 31.66 2dfs s HIS 81 CO 0.01 -1.13 1.56 1.49 -2.00 0.00 0.00 174.74 174.67 2dfs h GLU 82 N 2.00 -0.07 0.00 -0.38 4.81 -1.94 -0.63 114.58 118.37 2dfs h GLU 82 Ca -0.23 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.96 2dfs h GLU 82 Cb 1.27 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 2dfs h GLU 82 CO 0.27 -0.05 -0.23 -1.00 -0.73 0.00 0.00 179.01 177.28 2dfs h PRO 83 N -0.08 0.00 -0.30 0.92 0.13 -1.97 -1.72 132.00 128.98 2dfs h PRO 83 Ca 0.26 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.32 2dfs h PRO 83 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2dfs h PRO 83 CO -0.87 0.23 -0.09 0.00 -0.23 0.00 0.00 178.00 177.04 2dfs h ALA 84 N 1.77 0.41 -0.27 -0.56 0.00 -1.42 -1.12 119.26 118.08 2dfs h ALA 84 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2dfs h ALA 84 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dfs h ALA 84 CO 0.03 0.25 0.08 0.28 0.00 0.00 0.00 179.25 179.88 2dfs h VAL 85 N 0.34 1.20 -0.16 0.00 2.07 -1.24 -1.69 116.25 116.77 2dfs h VAL 85 Ca 0.07 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 2dfs h VAL 85 Cb 0.58 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2dfs h VAL 85 CO 0.03 0.22 0.09 0.25 0.02 0.00 0.00 177.57 178.18 2dfs h LEU 86 N 0.27 0.20 -0.48 2.57 5.85 -1.32 -1.87 115.31 120.52 2dfs h LEU 86 Ca 0.09 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2dfs h LEU 86 Cb 0.26 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2dfs h LEU 86 CO -0.00 0.21 0.16 -0.74 -0.34 0.00 0.00 178.44 177.73 2dfs h HIS 87 N 0.17 0.76 -0.36 1.25 2.76 -1.24 -1.98 115.15 116.52 2dfs h HIS 87 Ca 0.06 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2dfs h HIS 87 Cb 0.05 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 2dfs h HIS 87 CO -0.05 0.66 0.17 -0.97 -1.30 0.00 0.00 177.93 176.44 2dfs h ASN 88 N 0.64 0.48 -0.57 3.26 -0.73 -1.21 -2.23 115.58 115.23 2dfs h ASN 88 Ca 0.16 -0.14 -0.07 0.00 1.87 0.00 0.00 56.30 58.11 2dfs h ASN 88 Cb 0.25 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 2dfs h ASN 88 CO -0.01 0.49 0.08 -0.07 -0.37 0.00 0.00 177.43 177.55 2dfs h LEU 89 N 0.45 0.94 -0.18 0.34 3.38 -1.35 -2.84 115.31 116.04 2dfs h LEU 89 Ca 0.12 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2dfs h LEU 89 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dfs h LEU 89 CO -0.01 0.95 0.09 0.50 0.09 0.00 0.00 178.44 180.06 2dfs h LYS 90 N 0.92 0.19 -0.53 1.13 3.64 -1.17 -1.74 116.57 119.01 2dfs h LYS 90 Ca 0.18 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2dfs h LYS 90 Cb 0.42 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2dfs h LYS 90 CO 0.01 0.13 -0.03 -0.39 -2.27 0.00 0.00 179.45 176.90 2dfs h VAL 91 N 0.20 1.26 -0.54 2.00 -1.51 -1.38 0.15 116.25 116.43 2dfs h VAL 91 Ca 0.07 -1.12 -0.04 0.00 -1.23 0.00 0.00 66.70 64.38 2dfs h VAL 91 Cb 0.01 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 30.04 2dfs h VAL 91 CO -0.05 0.40 0.18 0.03 -1.23 0.00 0.00 177.57 176.90 2dfs h ARG 92 N 0.84 0.82 -0.02 5.19 3.08 -1.46 -2.22 114.38 120.62 2dfs h ARG 92 Ca 0.15 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2dfs h ARG 92 Cb 0.54 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2dfs h ARG 92 CO 0.03 0.75 -0.01 0.35 -1.07 0.00 0.00 179.97 180.01 2dfs h PHE 93 N 0.74 0.06 0.00 3.04 3.57 -1.13 0.31 116.94 123.53 2dfs h PHE 93 Ca 0.17 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 2dfs h PHE 93 Cb 0.26 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2dfs h PHE 93 CO 0.01 0.46 -0.10 0.82 -2.23 0.00 0.00 178.31 177.27 2dfs h ILE 94 N -0.36 0.15 -0.48 1.41 1.08 -1.03 -2.96 117.51 115.32 2dfs h ILE 94 Ca 0.01 -1.12 -0.09 0.00 -0.39 0.00 0.00 64.86 63.26 2dfs h ILE 94 Cb 0.45 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.48 2dfs h ILE 94 CO 0.00 0.05 -0.05 0.44 -0.69 0.00 0.00 178.15 177.90 2dfs h ASP 95 N -1.00 0.89 -0.01 1.72 5.19 -1.58 -3.34 116.42 118.28 2dfs h ASP 95 Ca -0.01 -0.33 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 2dfs h ASP 95 Cb 0.18 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2dfs h ASP 95 CO -0.00 1.01 -0.10 -1.20 -3.12 0.00 0.00 179.24 175.83 2dfs n SER 96 N -4.28 1.58 -2.49 6.45 7.64 -1.18 -5.01 113.62 116.33 2dfs n SER 96 Ca 0.00 -1.29 -0.20 0.00 1.01 0.00 0.00 58.87 58.39 2dfs n SER 96 Cb 0.35 0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 2dfs n SER 96 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dfs n LYS 97 N 0.21 -2.70 -3.53 1.43 5.02 -1.01 -4.98 118.16 112.61 2dfs n LYS 97 Ca 0.05 0.93 -0.41 0.00 -2.02 0.00 0.00 58.31 56.87 2dfs n LYS 97 Cb 0.24 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 29.55 2dfs n LYS 97 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dfs s LEU 98 N -5.97 4.73 0.00 -0.35 1.43 0.07 -4.95 118.68 113.64 2dfs s LEU 98 Ca 0.10 -0.71 0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2dfs s LEU 98 Cb -0.05 -2.11 0.24 0.00 0.03 0.00 0.00 46.19 44.30 2dfs s LEU 98 CO 0.13 -0.34 1.25 2.30 0.23 0.00 0.00 176.35 179.92 2dfs n ILE 99 N 5.09 0.00 -5.23 -0.59 -5.35 -1.26 -3.47 119.36 108.55 2dfs n ILE 99 Ca -0.12 -0.26 -0.31 0.00 -0.27 0.00 0.00 62.75 61.79 2dfs n ILE 99 Cb 0.48 1.07 -0.16 0.00 -1.74 0.00 0.00 39.64 39.29 2dfs n ILE 99 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2dfs s TYR 100 N -2.39 2.36 -0.08 4.28 2.02 -1.26 -1.21 117.35 121.07 2dfs s TYR 100 Ca 0.22 -0.69 -0.13 0.00 -0.37 0.00 0.00 57.07 56.10 2dfs s TYR 100 Cb 0.19 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.23 2dfs s TYR 100 CO 0.51 -0.20 0.33 0.99 -1.57 0.00 0.00 175.55 175.61 2dfs s THR 101 N -0.17 0.03 0.44 -0.71 2.01 -0.93 -4.77 115.64 111.53 2dfs s THR 101 Ca -0.03 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 2dfs s THR 101 Cb -0.13 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 2dfs s THR 101 CO 0.03 -0.12 0.78 -0.31 -0.69 0.00 0.00 174.62 174.32 2dfs s TYR 102 N -0.51 3.51 -0.45 4.92 2.02 -0.17 -0.43 117.35 126.23 2dfs s TYR 102 Ca -0.06 0.98 0.05 0.00 -0.37 0.00 0.00 57.07 57.67 2dfs s TYR 102 Cb -0.04 -2.40 0.19 0.00 -0.40 0.00 0.00 41.96 39.31 2dfs s TYR 102 CO 0.02 -0.18 0.43 0.00 -1.57 0.00 0.00 175.55 174.24 2dfs n GLY 104 N 2.27 2.19 0.81 0.00 0.00 -1.26 -2.22 105.19 106.98 2dfs n GLY 104 Ca 0.27 0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.56 2dfs n GLY 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dfs n ILE 105 N 0.00 0.51 -4.32 -0.61 -5.35 -1.26 -4.85 119.36 103.48 2dfs n ILE 105 Ca 0.00 -0.57 -0.34 0.00 -0.27 0.00 0.00 62.75 61.58 2dfs n ILE 105 Cb 0.00 0.38 -0.12 0.00 -1.74 0.00 0.00 39.64 38.17 2dfs n ILE 105 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2dfs s VAL 106 N -1.49 4.08 -0.16 7.28 1.01 -0.94 -4.21 120.40 125.98 2dfs s VAL 106 Ca 0.32 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.82 2dfs s VAL 106 Cb 0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2dfs s VAL 106 CO 0.23 0.49 0.50 -0.22 0.00 0.00 0.00 175.10 176.10 2dfs s LEU 107 N 0.35 4.21 -0.17 3.92 2.96 -0.44 -0.04 118.68 129.48 2dfs s LEU 107 Ca -0.03 0.75 -0.13 0.00 -0.22 0.00 0.00 54.13 54.50 2dfs s LEU 107 Cb -0.14 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.79 2dfs s LEU 107 CO 0.02 -0.09 0.27 -0.69 -1.32 0.00 0.00 176.35 174.54 2dfs s VAL 108 N 1.14 5.32 -0.18 1.68 1.01 0.43 -0.33 120.40 129.46 2dfs s VAL 108 Ca 0.25 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2dfs s VAL 108 Cb -0.15 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2dfs s VAL 108 CO 0.10 0.39 -0.17 0.00 0.00 0.00 0.00 175.10 175.42 2dfs s ALA 109 N 0.50 2.21 -0.23 5.51 0.00 0.10 -2.19 121.76 127.65 2dfs s ALA 109 Ca 0.15 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.85 2dfs s ALA 109 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2dfs s ALA 109 CO 0.03 -0.45 0.12 0.42 0.00 0.00 0.00 175.76 175.88 2dfs s ILE 110 N 1.33 4.98 0.00 0.00 1.01 -0.35 -0.42 121.20 127.76 2dfs s ILE 110 Ca 0.04 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2dfs s ILE 110 Cb -0.14 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 2dfs s ILE 110 CO -0.12 0.36 1.83 0.21 0.00 0.00 0.00 174.94 177.22 2dfs s ASN 111 N 1.08 6.55 0.37 3.58 3.84 -0.48 -4.80 114.94 125.08 2dfs s ASN 111 Ca 0.06 2.48 0.23 0.00 0.21 0.00 0.00 52.86 55.84 2dfs s ASN 111 Cb -0.14 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.28 2dfs s ASN 111 CO 0.04 -0.99 1.46 1.55 -2.79 0.00 0.00 177.10 176.37 2dfs h PRO 112 N 10.06 0.00 0.00 0.43 0.13 -1.94 -3.42 132.00 137.26 2dfs h PRO 112 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2dfs h PRO 112 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dfs h PRO 112 CO 0.95 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.38 2dfs n TYR 113 N -2.97 0.00 -2.70 1.56 4.01 -1.26 -1.61 117.16 114.19 2dfs n TYR 113 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 2dfs n TYR 113 Cb 0.53 -0.18 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 2dfs n TYR 113 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2dfs s GLU 114 N 0.00 3.12 -0.19 -0.72 2.12 -1.26 -4.89 118.70 116.88 2dfs s GLU 114 Ca 0.00 -0.15 -0.05 0.00 0.36 0.00 0.00 54.97 55.13 2dfs s GLU 114 Cb 0.00 -2.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 2dfs s GLU 114 CO 0.00 -0.41 0.00 -0.65 -0.54 0.00 0.00 175.26 173.66 2dfs s GLN 115 N -4.76 3.67 0.19 4.30 -0.21 -1.26 -5.09 119.66 116.50 2dfs s GLN 115 Ca 0.50 -0.50 0.09 0.00 0.02 0.00 0.00 55.36 55.47 2dfs s GLN 115 Cb -0.10 -3.06 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2dfs s GLN 115 CO 0.42 0.09 -0.12 -0.51 -2.12 0.00 0.00 175.29 173.05 2dfs s LEU 116 N 0.80 2.87 -0.71 2.90 1.43 -1.26 -5.04 118.68 119.67 2dfs s LEU 116 Ca 0.00 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2dfs s LEU 116 Cb -0.14 -1.56 0.35 0.00 0.03 0.00 0.00 46.19 44.87 2dfs s LEU 116 CO 0.02 0.10 2.10 -0.81 0.23 0.00 0.00 176.35 178.00 2dfs n PRO 117 N 0.06 2.63 -0.12 1.29 -0.04 -1.26 -4.31 135.00 133.25 2dfs n PRO 117 Ca -0.11 -3.20 0.05 0.00 -0.04 0.00 0.00 63.50 60.21 2dfs n PRO 117 Cb 0.56 -2.22 0.11 0.00 -0.04 0.00 0.00 33.50 31.90 2dfs n PRO 117 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dfs n ILE 118 N -0.49 1.45 -0.44 0.52 -5.35 -1.26 -4.59 119.36 109.20 2dfs n ILE 118 Ca 0.55 -1.50 0.02 0.00 -0.27 0.00 0.00 62.75 61.55 2dfs n ILE 118 Cb 0.44 0.17 0.03 0.00 -1.74 0.00 0.00 39.64 38.54 2dfs n ILE 118 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2dfs n TYR 119 N -0.58 0.00 -2.24 4.28 4.01 -1.26 -4.92 117.16 116.45 2dfs n TYR 119 Ca 0.10 -0.49 -0.27 0.00 -0.16 0.00 0.00 57.90 57.08 2dfs n TYR 119 Cb 0.49 -0.06 0.14 0.00 -0.31 0.00 0.00 39.34 39.60 2dfs n TYR 119 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2dfs s GLY 120 N -1.19 1.76 0.27 2.72 0.00 -1.26 -4.91 107.32 104.72 2dfs s GLY 120 Ca 0.06 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.35 2dfs s GLY 120 CO 0.01 -0.75 1.90 0.83 0.00 0.00 0.00 173.10 175.09 2dfs h GLU 121 N -1.05 1.11 -0.24 2.90 4.39 -1.99 -2.09 114.58 117.60 2dfs h GLU 121 Ca -0.41 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 2dfs h GLU 121 Cb 1.26 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 2dfs h GLU 121 CO 0.42 0.80 0.12 0.38 -1.16 0.00 0.00 179.01 179.57 2dfs h ASP 122 N 1.12 0.31 -0.76 1.42 2.03 -1.99 -1.95 116.42 116.59 2dfs h ASP 122 Ca 0.29 -0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.43 2dfs h ASP 122 Cb 0.00 -0.08 -0.03 0.00 -0.83 0.00 0.00 39.33 38.39 2dfs h ASP 122 CO -0.05 0.33 0.27 0.40 -1.03 0.00 0.00 179.24 179.16 2dfs h ILE 123 N 0.27 1.26 -0.68 4.15 5.03 -1.87 -2.34 117.51 123.33 2dfs h ILE 123 Ca 0.08 -0.86 0.02 0.00 -0.12 0.00 0.00 64.86 63.98 2dfs h ILE 123 Cb 0.09 0.39 -0.04 0.00 -3.03 0.00 0.00 36.82 34.24 2dfs h ILE 123 CO -0.01 0.35 0.43 0.40 -0.68 0.00 0.00 178.15 178.63 2dfs h ILE 124 N 1.11 1.12 -0.52 -0.67 2.04 -1.23 -2.59 117.51 116.77 2dfs h ILE 124 Ca 0.25 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2dfs h ILE 124 Cb 0.26 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2dfs h ILE 124 CO -0.01 0.16 0.09 0.78 0.00 0.00 0.00 178.15 179.17 2dfs h ASN 125 N 0.85 0.76 -0.70 1.72 2.35 -1.16 -2.24 115.58 117.17 2dfs h ASN 125 Ca 0.26 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2dfs h ASN 125 Cb -0.02 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2dfs h ASN 125 CO -0.09 0.77 0.26 0.00 -1.65 0.00 0.00 177.43 176.72 2dfs h ALA 126 N 1.33 1.11 0.00 -0.83 0.00 -1.06 -2.81 119.26 117.00 2dfs h ALA 126 Ca 0.17 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2dfs h ALA 126 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2dfs h ALA 126 CO 0.00 0.62 -0.57 1.88 0.00 0.00 0.00 179.25 181.19 2dfs h TYR 127 N 1.04 0.00 -1.71 0.00 0.05 -1.38 -3.44 116.97 111.53 2dfs h TYR 127 Ca 0.24 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.38 2dfs h TYR 127 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 2dfs h TYR 127 CO 0.02 0.57 1.27 0.45 -1.05 0.00 0.00 178.16 179.42 2dfs n SER 128 N -3.70 2.97 0.00 3.88 2.88 -0.85 -1.79 113.62 117.00 2dfs n SER 128 Ca -0.01 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2dfs n SER 128 Cb 0.60 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2dfs n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dfs n GLY 129 N 5.32 0.91 3.94 0.46 0.00 -1.26 -5.01 105.19 109.53 2dfs n GLY 129 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 2dfs n GLY 129 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfs s GLN 130 N -0.07 2.64 0.45 1.61 -1.52 -0.74 -5.09 119.66 116.93 2dfs s GLN 130 Ca 0.00 -0.28 -0.14 0.00 -1.95 0.00 0.00 55.36 52.99 2dfs s GLN 130 Cb 0.00 -2.31 -0.07 0.00 -0.22 0.00 0.00 33.01 30.40 2dfs s GLN 130 CO 0.00 -0.83 0.87 -0.80 -0.25 0.00 0.00 175.29 174.28 2dfs s ASN 131 N -4.38 6.61 0.38 5.90 0.01 -1.26 -4.92 114.94 117.27 2dfs s ASN 131 Ca 0.56 1.36 0.08 0.00 -0.71 0.00 0.00 52.86 54.15 2dfs s ASN 131 Cb -0.10 -2.42 0.76 0.00 0.41 0.00 0.00 41.25 39.89 2dfs s ASN 131 CO 0.43 -0.46 1.93 -0.03 -1.51 0.00 0.00 177.10 177.46 2dfs h MET 132 N 1.23 0.35 0.00 -0.60 4.05 -1.94 -3.17 114.93 114.85 2dfs h MET 132 Ca -0.47 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 2dfs h MET 132 Cb 1.18 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 2dfs h MET 132 CO 0.63 0.41 -0.10 0.41 0.23 0.00 0.00 176.91 178.49 2dfs n GLY 133 N -0.97 -1.61 0.74 1.39 0.00 -1.26 -3.98 105.19 99.50 2dfs n GLY 133 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2dfs n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfs n ASP 134 N -2.06 2.75 -4.13 1.61 9.92 -1.20 -4.92 116.55 118.52 2dfs n ASP 134 Ca 0.06 -1.81 -0.14 0.00 -0.53 0.00 0.00 54.79 52.36 2dfs n ASP 134 Cb 0.41 -0.15 -0.11 0.00 -0.64 0.00 0.00 41.12 40.63 2dfs n ASP 134 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 2dfs s MET 135 N -1.15 0.72 0.42 -1.24 -1.94 -1.26 -5.00 119.30 109.85 2dfs s MET 135 Ca 0.25 -0.98 -0.26 0.00 -1.71 0.00 0.00 55.69 52.98 2dfs s MET 135 Cb 0.15 -0.46 -0.10 0.00 2.01 0.00 0.00 34.83 36.43 2dfs s MET 135 CO 0.20 0.08 1.41 -0.25 -0.01 0.00 0.00 175.02 176.45 2dfs n ASP 136 N 0.98 3.27 -4.69 3.03 8.00 -1.26 -4.90 116.55 120.97 2dfs n ASP 136 Ca -0.19 1.15 -0.44 0.00 0.71 0.00 0.00 54.79 56.02 2dfs n ASP 136 Cb 0.56 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.04 2dfs n ASP 136 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2dfs n PRO 137 N 0.05 2.46 -3.61 -0.24 -0.04 -1.26 -4.88 135.00 127.48 2dfs n PRO 137 Ca 0.04 0.89 -0.11 0.00 -0.04 0.00 0.00 63.50 64.28 2dfs n PRO 137 Cb 0.40 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.11 2dfs n PRO 137 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2dfs s HIS 138 N 1.34 -0.25 0.42 0.54 2.46 -1.26 -4.68 115.29 113.86 2dfs s HIS 138 Ca 0.78 -0.03 0.09 0.00 0.47 0.00 0.00 55.06 56.37 2dfs s HIS 138 Cb -0.59 0.29 0.90 0.00 -0.13 0.00 0.00 32.58 33.04 2dfs s HIS 138 CO 0.36 -0.71 2.03 0.97 -2.47 0.00 0.00 174.74 174.93 2dfs h ILE 139 N 2.38 1.11 -0.77 0.89 6.09 -1.97 -2.39 117.51 122.84 2dfs h ILE 139 Ca -0.34 -0.31 0.01 0.00 -1.37 0.00 0.00 64.86 62.85 2dfs h ILE 139 Cb 1.26 0.75 -0.04 0.00 0.47 0.00 0.00 36.82 39.26 2dfs h ILE 139 CO 0.46 0.12 0.51 -0.26 -3.07 0.00 0.00 178.15 175.91 2dfs h PHE 140 N 0.40 0.96 -0.78 2.19 0.04 -1.95 -2.03 116.94 115.77 2dfs h PHE 140 Ca 0.10 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2dfs h PHE 140 Cb 0.06 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 2dfs h PHE 140 CO 0.00 0.60 0.48 0.00 -0.60 0.00 0.00 178.31 178.79 2dfs h ALA 141 N 1.29 0.99 -0.78 2.45 0.00 -1.77 -0.60 119.26 120.84 2dfs h ALA 141 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2dfs h ALA 141 Cb -0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 2dfs h ALA 141 CO -0.07 0.44 0.34 0.28 0.00 0.00 0.00 179.25 180.24 2dfs h VAL 142 N 1.06 1.25 -0.45 0.00 2.07 -1.40 -2.36 116.25 116.43 2dfs h VAL 142 Ca 0.28 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 2dfs h VAL 142 Cb -0.06 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2dfs h VAL 142 CO -0.05 0.32 0.18 0.00 0.02 0.00 0.00 177.57 178.04 2dfs h ALA 143 N 1.17 0.58 -0.61 1.67 0.00 -0.86 -2.65 119.26 118.56 2dfs h ALA 143 Ca 0.26 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dfs h ALA 143 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2dfs h ALA 143 CO -0.03 0.18 0.39 1.49 0.00 0.00 0.00 179.25 181.28 2dfs h GLU 144 N 0.58 0.75 -0.84 0.00 4.57 -1.04 -2.08 114.58 116.52 2dfs h GLU 144 Ca 0.15 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2dfs h GLU 144 Cb 0.18 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 2dfs h GLU 144 CO -0.01 0.49 0.45 1.49 -1.18 0.00 0.00 179.01 180.25 2dfs h GLU 145 N 0.77 1.18 -0.49 1.92 4.57 -1.39 -0.58 114.58 120.55 2dfs h GLU 145 Ca 0.24 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2dfs h GLU 145 Cb -0.02 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 2dfs h GLU 145 CO -0.08 0.88 0.30 0.00 -1.18 0.00 0.00 179.01 178.93 2dfs h ALA 146 N 1.24 0.63 -0.68 2.92 0.00 -1.20 -1.17 119.26 120.99 2dfs h ALA 146 Ca 0.29 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2dfs h ALA 146 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2dfs h ALA 146 CO -0.04 0.11 0.26 -0.92 0.00 0.00 0.00 179.25 178.66 2dfs h TYR 147 N 0.66 1.05 -0.25 0.00 3.20 -1.04 -2.57 116.97 118.01 2dfs h TYR 147 Ca 0.18 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2dfs h TYR 147 Cb -0.02 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 2dfs h TYR 147 CO -0.03 0.82 -0.02 -0.22 -1.64 0.00 0.00 178.16 177.07 2dfs h LYS 148 N 0.97 0.44 0.00 1.82 3.64 -1.00 -3.15 116.57 119.29 2dfs h LYS 148 Ca 0.23 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2dfs h LYS 148 Cb 0.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2dfs h LYS 148 CO -0.02 0.63 -0.12 1.96 -2.27 0.00 0.00 179.45 179.64 2dfs h GLN 149 N 0.21 0.00 -0.17 1.90 4.20 -1.24 -2.25 115.11 117.76 2dfs h GLN 149 Ca 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2dfs h GLN 149 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2dfs h GLN 149 CO 0.02 0.12 0.09 1.98 -0.67 0.00 0.00 178.83 180.36 2dfs h MET 150 N 0.00 0.24 0.00 1.46 4.05 -1.41 -2.06 114.93 117.20 2dfs h MET 150 Ca -0.00 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.24 2dfs h MET 150 Cb 0.70 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2dfs h MET 150 CO 0.02 0.25 -1.12 0.00 0.23 0.00 0.00 176.91 176.29 2dfs h ALA 151 N 0.97 0.65 -0.68 0.39 0.00 -1.61 -1.39 119.26 117.59 2dfs h ALA 151 Ca 0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2dfs h ALA 151 Cb 0.09 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2dfs h ALA 151 CO -0.01 0.81 0.29 -0.09 0.00 0.00 0.00 179.25 180.25 2dfs h ARG 152 N 0.00 1.01 -0.01 0.00 2.43 -1.43 -3.33 114.38 113.05 2dfs h ARG 152 Ca -0.11 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2dfs h ARG 152 Cb 1.51 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2dfs h ARG 152 CO 0.05 0.83 -0.37 -0.25 -1.51 0.00 0.00 179.97 178.73 2dfs n ASP 153 N -4.40 1.25 -3.61 -3.80 9.92 -0.78 -5.02 116.55 110.11 2dfs n ASP 153 Ca 0.05 -1.12 -0.24 0.00 -0.53 0.00 0.00 54.79 52.95 2dfs n ASP 153 Cb 0.16 0.60 0.04 0.00 -0.64 0.00 0.00 41.12 41.29 2dfs n ASP 153 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2dfs n GLU 154 N -0.46 -3.02 -3.70 -1.24 -0.58 -0.59 -5.02 120.64 106.02 2dfs n GLU 154 Ca 0.05 0.60 -0.14 0.00 -0.42 0.00 0.00 57.16 57.25 2dfs n GLU 154 Cb 0.27 -4.91 -0.14 0.00 -0.57 0.00 0.00 31.44 26.09 2dfs n GLU 154 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2dfs s ARG 155 N -5.69 0.12 0.54 3.49 3.52 -0.82 -5.05 118.95 115.06 2dfs s ARG 155 Ca 0.26 0.54 -0.21 0.00 -0.13 0.00 0.00 55.73 56.18 2dfs s ARG 155 Cb -0.07 -0.16 -0.05 0.00 -1.56 0.00 0.00 34.95 33.11 2dfs s ARG 155 CO 0.82 -0.23 1.31 -0.80 -0.81 0.00 0.00 175.30 175.59 2dfs s ASN 156 N 1.74 5.37 0.18 -2.12 0.01 -1.26 -4.21 114.94 114.64 2dfs s ASN 156 Ca -0.04 2.66 0.11 0.00 -0.71 0.00 0.00 52.86 54.88 2dfs s ASN 156 Cb -0.11 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.88 2dfs s ASN 156 CO -0.07 -1.50 -0.23 -1.10 -1.51 0.00 0.00 177.10 172.69 2dfs s GLN 157 N -2.93 1.55 -0.17 -0.60 -1.52 -0.61 -2.56 119.66 112.82 2dfs s GLN 157 Ca 0.71 -1.45 -0.00 0.00 -1.95 0.00 0.00 55.36 52.67 2dfs s GLN 157 Cb -0.38 -1.89 0.04 0.00 -0.22 0.00 0.00 33.01 30.56 2dfs s GLN 157 CO 0.44 0.42 -0.08 -1.12 -0.25 0.00 0.00 175.29 174.70 2dfs s SER 158 N -2.54 2.89 -0.36 5.90 0.01 -0.72 -0.26 113.70 118.63 2dfs s SER 158 Ca 0.20 -0.66 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 2dfs s SER 158 Cb -0.09 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2dfs s SER 158 CO 0.09 -0.16 0.58 -0.63 0.41 0.00 0.00 173.24 173.54 2dfs s ILE 159 N 1.57 4.94 -0.34 1.44 1.01 0.12 -0.32 121.20 129.62 2dfs s ILE 159 Ca 0.01 0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.94 2dfs s ILE 159 Cb -0.15 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 2dfs s ILE 159 CO -0.08 -0.30 0.29 -0.63 0.00 0.00 0.00 174.94 174.22 2dfs s ILE 160 N 2.57 5.24 -0.26 2.92 1.01 0.11 -0.29 121.20 132.50 2dfs s ILE 160 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 2dfs s ILE 160 Cb -0.15 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2dfs s ILE 160 CO 0.14 -0.06 -0.01 -0.69 0.00 0.00 0.00 174.94 174.33 2dfs s VAL 161 N 1.84 3.37 0.19 2.92 1.01 0.05 -1.25 120.40 128.53 2dfs s VAL 161 Ca 0.08 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2dfs s VAL 161 Cb -0.17 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2dfs s VAL 161 CO 0.11 0.22 -0.01 -0.94 0.00 0.00 0.00 175.10 174.49 2dfs s SER 162 N 1.43 1.45 0.00 3.32 1.04 -0.51 -2.59 113.70 117.84 2dfs s SER 162 Ca 0.03 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.28 2dfs s SER 162 Cb -0.16 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2dfs s SER 162 CO -0.02 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2dfs n GLY 163 N -0.30 3.84 3.54 7.32 0.00 -1.25 -0.28 105.19 118.08 2dfs n GLY 163 Ca -0.06 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 2dfs n GLY 163 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dfs n GLU 164 N -1.79 0.01 -1.81 1.61 2.13 -1.26 -3.67 120.64 115.87 2dfs n GLU 164 Ca 0.00 0.07 -0.40 0.00 0.66 0.00 0.00 57.16 57.48 2dfs n GLU 164 Cb 0.00 -2.09 0.01 0.00 0.27 0.00 0.00 31.44 29.63 2dfs n GLU 164 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2dfs s SER 165 N -1.96 6.05 0.00 4.31 0.01 -1.26 -2.63 113.70 118.22 2dfs s SER 165 Ca 0.66 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.88 2dfs s SER 165 Cb -0.28 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.29 2dfs s SER 165 CO 0.58 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2dfs n GLY 166 N 0.54 1.01 0.05 3.44 0.00 -1.26 -4.89 105.19 104.08 2dfs n GLY 166 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2dfs n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfs n ALA 167 N 0.94 2.20 0.00 4.61 0.00 -1.08 -4.83 120.51 122.35 2dfs n ALA 167 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2dfs n ALA 167 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2dfs n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfs n GLY 168 N 1.17 1.44 0.22 0.00 0.00 -1.26 -4.10 105.19 102.66 2dfs n GLY 168 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 2dfs n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dfs h LYS 169 N 0.75 0.50 -0.95 1.61 1.57 -1.90 -1.20 116.57 116.95 2dfs h LYS 169 Ca 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2dfs h LYS 169 Cb 0.00 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 2dfs h LYS 169 CO 0.00 0.33 0.61 1.79 -0.57 0.00 0.00 179.45 181.61 2dfs h THR 170 N 0.51 1.25 -0.54 -0.16 1.35 -1.97 -1.83 112.91 111.52 2dfs h THR 170 Ca 0.26 -0.48 -0.08 0.00 -0.55 0.00 0.00 66.41 65.55 2dfs h THR 170 Cb 0.20 -0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 2dfs h THR 170 CO -0.20 0.25 0.01 0.58 -0.25 0.00 0.00 175.52 175.91 2dfs h VAL 171 N 1.30 1.26 -0.59 6.82 2.07 -1.81 -2.28 116.25 123.02 2dfs h VAL 171 Ca 0.35 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2dfs h VAL 171 Cb -0.12 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2dfs h VAL 171 CO -0.07 0.39 0.39 0.28 0.02 0.00 0.00 177.57 178.58 2dfs h SER 172 N 0.82 0.67 -0.80 0.57 0.02 -0.94 -2.50 113.55 111.39 2dfs h SER 172 Ca 0.15 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2dfs h SER 172 Cb 0.52 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2dfs h SER 172 CO 0.03 0.48 0.41 0.00 -1.14 0.00 0.00 176.83 176.61 2dfs h ALA 173 N 1.22 1.03 -0.59 3.77 0.00 -1.31 -2.20 119.26 121.18 2dfs h ALA 173 Ca 0.22 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dfs h ALA 173 Cb -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.34 2dfs h ALA 173 CO -0.05 0.58 0.33 -0.22 0.00 0.00 0.00 179.25 179.89 2dfs h LYS 174 N 1.13 0.61 -0.00 0.00 3.64 -1.08 -1.96 116.57 118.91 2dfs h LYS 174 Ca 0.28 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.45 2dfs h LYS 174 Cb 0.09 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2dfs h LYS 174 CO -0.04 0.40 -0.78 1.88 -2.27 0.00 0.00 179.45 178.64 2dfs h TYR 175 N 0.63 0.06 -0.66 1.91 0.05 -1.37 -2.62 116.97 114.97 2dfs h TYR 175 Ca 0.25 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2dfs h TYR 175 Cb 0.12 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2dfs h TYR 175 CO -0.08 0.81 0.33 0.00 -1.05 0.00 0.00 178.16 178.17 2dfs h ALA 176 N 1.18 0.85 -0.67 3.88 0.00 -1.18 -2.50 119.26 120.82 2dfs h ALA 176 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2dfs h ALA 176 Cb 1.38 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2dfs h ALA 176 CO 0.11 0.40 0.35 0.52 0.00 0.00 0.00 179.25 180.63 2dfs h MET 177 N 0.91 0.94 -0.88 0.00 2.86 -1.34 -2.40 114.93 115.03 2dfs h MET 177 Ca 0.23 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 2dfs h MET 177 Cb 0.10 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 2dfs h MET 177 CO -0.03 0.72 0.51 -0.09 1.06 0.00 0.00 176.91 179.08 2dfs h ARG 178 N 0.92 1.20 0.11 1.72 2.43 -1.37 -0.37 114.38 119.01 2dfs h ARG 178 Ca 0.23 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2dfs h ARG 178 Cb 0.07 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2dfs h ARG 178 CO -0.03 0.86 -0.10 -0.92 -1.51 0.00 0.00 179.97 178.26 2dfs h TYR 179 N 1.22 -0.27 -0.78 2.20 3.20 -1.27 -1.08 116.97 120.18 2dfs h TYR 179 Ca 0.31 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 2dfs h TYR 179 Cb -0.02 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2dfs h TYR 179 CO 0.01 -0.16 0.48 0.74 -1.64 0.00 0.00 178.16 177.58 2dfs h PHE 180 N -0.23 1.02 -0.06 -3.82 0.04 -1.17 -1.66 116.94 111.05 2dfs h PHE 180 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 2dfs h PHE 180 Cb 0.22 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2dfs h PHE 180 CO -0.12 0.67 0.02 0.00 -0.60 0.00 0.00 178.31 178.29 2dfs h ALA 181 N 1.45 0.07 -0.53 2.45 0.00 -0.92 -3.27 119.26 118.51 2dfs h ALA 181 Ca 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2dfs h ALA 181 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2dfs h ALA 181 CO -0.05 -0.32 -0.00 1.15 0.00 0.00 0.00 179.25 180.02 2dfs h THR 182 N -0.09 1.26 0.00 0.00 2.02 -0.94 -3.23 112.91 111.93 2dfs h THR 182 Ca 0.02 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2dfs h THR 182 Cb 0.20 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2dfs h THR 182 CO -0.00 0.39 0.00 1.33 0.37 0.00 0.00 175.52 177.61 2dfs n VAL 183 N -4.28 0.31 -0.16 3.16 0.24 -0.65 -4.30 118.33 112.66 2dfs n VAL 183 Ca 0.01 0.08 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 2dfs n VAL 183 Cb 0.33 -0.66 0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2dfs n VAL 183 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dfs n SER 184 N -1.48 2.72 -0.65 -1.34 3.41 -1.22 -4.98 113.62 110.07 2dfs n SER 184 Ca 0.06 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 2dfs n SER 184 Cb 0.28 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2dfs n SER 184 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dfs n GLY 185 N 0.22 0.80 0.00 5.00 0.00 -1.26 -4.22 105.19 105.73 2dfs n GLY 185 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2dfs n GLY 185 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dfs n SER 186 N 0.73 0.00 -4.80 1.61 7.64 -1.26 -4.86 113.62 112.68 2dfs n SER 186 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 2dfs n SER 186 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 2dfs n SER 186 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dfs s ALA 187 N 0.00 3.53 -0.01 -0.43 0.00 -1.26 -5.03 121.76 118.56 2dfs s ALA 187 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 2dfs s ALA 187 Cb 0.00 -2.76 -0.19 0.00 0.00 0.00 0.00 23.12 20.17 2dfs s ALA 187 CO 0.00 0.35 1.25 0.77 0.00 0.00 0.00 175.76 178.13 2dfs h SER 188 N 4.50 0.15 0.00 0.00 0.02 -1.95 -2.89 113.55 113.38 2dfs h SER 188 Ca -0.48 -0.54 -0.17 0.00 -0.84 0.00 0.00 61.79 59.76 2dfs h SER 188 Cb 1.21 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2dfs h SER 188 CO 0.65 0.66 -1.77 -1.84 -1.14 0.00 0.00 176.83 173.38 2dfs n GLU 189 N -4.71 1.65 0.40 3.45 0.00 -1.26 -4.61 120.64 115.56 2dfs n GLU 189 Ca -0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 57.16 56.88 2dfs n GLU 189 Cb 0.32 -1.31 -0.08 0.00 0.00 0.00 0.00 31.44 30.37 2dfs n GLU 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dfs h ALA 190 N 0.73 -1.03 -7.01 -1.84 0.00 -1.96 -3.47 119.26 104.68 2dfs h ALA 190 Ca -0.25 -0.23 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 2dfs h ALA 190 Cb 1.48 0.40 -0.21 0.00 0.00 0.00 0.00 17.79 19.45 2dfs h ALA 190 CO 0.01 -1.00 -0.93 0.09 0.00 0.00 0.00 179.25 177.43 2dfs n ASN 191 N -5.48 0.74 -0.27 0.00 3.02 -1.09 -4.71 115.26 107.46 2dfs n ASN 191 Ca -0.14 -1.23 0.21 0.00 -0.03 0.00 0.00 54.58 53.39 2dfs n ASN 191 Cb 0.42 -1.53 0.52 0.00 -0.61 0.00 0.00 39.78 38.57 2dfs n ASN 191 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2dfs h VAL 192 N -1.62 0.63 -0.84 2.41 2.07 -1.92 -1.75 116.25 115.23 2dfs h VAL 192 Ca -0.63 -0.14 0.17 0.00 0.82 0.00 0.00 66.70 66.92 2dfs h VAL 192 Cb 1.35 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 31.16 2dfs h VAL 192 CO 0.70 0.07 -0.22 -0.08 0.02 0.00 0.00 177.57 178.06 2dfs h GLU 193 N 0.39 -0.01 -0.44 1.57 4.81 -1.92 -2.20 114.58 116.79 2dfs h GLU 193 Ca 0.51 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 2dfs h GLU 193 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2dfs h GLU 193 CO -0.20 -0.00 0.24 1.49 -0.73 0.00 0.00 179.01 179.80 2dfs h GLU 194 N -0.01 0.61 -0.40 1.92 4.22 -1.64 -0.14 114.58 119.15 2dfs h GLU 194 Ca 0.40 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.73 2dfs h GLU 194 Cb 0.61 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2dfs h GLU 194 CO -0.86 0.49 0.11 0.87 -2.18 0.00 0.00 179.01 177.43 2dfs h LYS 195 N 0.57 0.63 -0.56 1.92 1.79 -1.65 -2.21 116.57 117.07 2dfs h LYS 195 Ca 0.15 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2dfs h LYS 195 Cb 0.05 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 2dfs h LYS 195 CO -0.02 0.64 0.22 0.28 -1.08 0.00 0.00 179.45 179.48 2dfs h VAL 196 N 0.50 1.22 -0.66 0.50 2.07 -1.24 -2.79 116.25 115.85 2dfs h VAL 196 Ca 0.13 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2dfs h VAL 196 Cb 0.28 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2dfs h VAL 196 CO -0.00 0.27 0.30 -0.07 0.02 0.00 0.00 177.57 178.08 2dfs h LEU 197 N 0.76 0.86 -2.01 2.57 3.38 -0.93 -1.69 115.31 118.25 2dfs h LEU 197 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dfs h LEU 197 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dfs h LEU 197 CO -0.01 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.26 2dfs h ALA 198 N 1.39 1.00 0.00 1.53 0.00 -1.22 -2.26 119.26 119.70 2dfs h ALA 198 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dfs h ALA 198 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dfs h ALA 198 CO -0.03 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.88 2dfs h SER 199 N 0.00 0.00 -0.15 0.00 4.64 -1.04 -3.35 113.55 113.64 2dfs h SER 199 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dfs h SER 199 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2dfs h SER 199 CO 0.00 0.00 0.10 0.78 -0.87 0.00 0.00 176.83 176.84 2dfs h ASN 200 N 0.00 0.18 -0.51 4.97 2.35 -1.43 -2.20 115.58 118.94 2dfs h ASN 200 Ca 0.00 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 2dfs h ASN 200 Cb 0.67 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 2dfs h ASN 200 CO 0.00 0.16 0.34 1.55 -1.65 0.00 0.00 177.43 177.83 2dfs h PRO 201 N 0.18 0.54 0.01 0.81 0.13 -1.78 0.12 132.00 132.01 2dfs h PRO 201 Ca 0.06 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2dfs h PRO 201 Cb 0.01 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.02 2dfs h PRO 201 CO -0.01 0.36 -0.00 0.82 -0.23 0.00 0.00 178.00 178.93 2dfs h ILE 202 N 0.55 1.17 -0.57 -3.56 2.04 -1.73 -2.19 117.51 113.22 2dfs h ILE 202 Ca 0.21 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 2dfs h ILE 202 Cb 0.13 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2dfs h ILE 202 CO -0.05 0.14 0.00 0.24 0.00 0.00 0.00 178.15 178.48 2dfs h MET 203 N -0.25 0.99 -0.72 2.37 2.86 -0.86 -2.78 114.93 116.53 2dfs h MET 203 Ca -0.00 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.29 2dfs h MET 203 Cb 0.24 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2dfs h MET 203 CO 0.00 0.97 0.24 0.93 1.06 0.00 0.00 176.91 180.11 2dfs h GLU 204 N 0.91 1.09 -0.72 1.72 5.08 -1.03 0.51 114.58 122.13 2dfs h GLU 204 Ca 0.17 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dfs h GLU 204 Cb 0.52 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2dfs h GLU 204 CO 0.03 0.92 0.46 0.66 -1.00 0.00 0.00 179.01 180.07 2dfs h SER 205 N 1.05 0.85 0.38 1.42 4.64 -1.13 -1.31 113.55 119.46 2dfs h SER 205 Ca 0.23 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2dfs h SER 205 Cb 0.27 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2dfs h SER 205 CO -0.01 0.64 -1.26 2.30 -0.87 0.00 0.00 176.83 177.63 2dfs n ILE 206 N -4.55 0.18 0.06 0.95 -5.35 -1.08 -1.02 119.36 108.55 2dfs n ILE 206 Ca 0.07 -0.33 0.02 0.00 -0.27 0.00 0.00 62.75 62.23 2dfs n ILE 206 Cb 0.04 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 38.05 2dfs n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dfs n GLY 207 N 1.32 0.07 3.66 3.28 0.00 0.16 -4.91 105.19 108.78 2dfs n GLY 207 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2dfs n GLY 207 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dfs s ASN 208 N -2.13 4.73 0.21 1.61 -0.87 -0.49 -1.70 114.94 116.30 2dfs s ASN 208 Ca -0.01 -0.47 -0.15 0.00 -1.57 0.00 0.00 52.86 50.66 2dfs s ASN 208 Cb 0.03 -0.97 0.01 0.00 -0.02 0.00 0.00 41.25 40.30 2dfs s ASN 208 CO 0.17 0.05 0.50 0.00 -2.57 0.00 0.00 177.10 175.25 2dfs s ALA 209 N -1.94 -0.66 0.01 0.60 0.00 -0.51 -2.25 121.76 117.02 2dfs s ALA 209 Ca 0.29 -0.49 -0.24 0.00 0.00 0.00 0.00 51.96 51.51 2dfs s ALA 209 Cb -0.08 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 2dfs s ALA 209 CO 0.19 -0.82 0.74 0.21 0.00 0.00 0.00 175.76 176.08 2dfs s LYS 210 N -3.93 4.46 0.40 0.00 2.36 -1.23 -0.81 119.74 120.99 2dfs s LYS 210 Ca 0.14 1.00 0.06 0.00 -2.55 0.00 0.00 55.97 54.62 2dfs s LYS 210 Cb -0.01 -3.39 -0.07 0.00 -1.05 0.00 0.00 37.83 33.31 2dfs s LYS 210 CO 0.02 0.22 0.02 0.95 1.55 0.00 0.00 175.35 178.11 2dfs s THR 211 N 0.21 1.70 0.48 3.43 -4.23 0.39 -1.55 115.64 116.07 2dfs s THR 211 Ca 0.38 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.11 2dfs s THR 211 Cb -0.20 -2.87 0.40 0.00 1.34 0.00 0.00 72.50 71.17 2dfs s THR 211 CO 0.21 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.93 2dfs h THR 212 N 1.83 0.71 -0.01 3.99 1.35 -1.84 -2.89 112.91 116.05 2dfs h THR 212 Ca -0.43 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2dfs h THR 212 Cb 1.25 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2dfs h THR 212 CO 0.77 0.04 -0.02 0.54 -0.25 0.00 0.00 175.52 176.60 2dfs n ARG 213 N -4.41 0.40 -3.75 4.72 5.12 -1.26 -5.02 116.66 112.46 2dfs n ARG 213 Ca 0.14 -0.95 -0.13 0.00 -1.93 0.00 0.00 57.85 54.99 2dfs n ARG 213 Cb 0.66 -1.15 -0.11 0.00 -1.16 0.00 0.00 32.46 30.71 2dfs n ARG 213 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2dfs s ASN 214 N -0.76 -0.37 0.07 0.55 0.01 -1.09 -5.06 114.94 108.29 2dfs s ASN 214 Ca 0.09 0.71 -0.17 0.00 -0.71 0.00 0.00 52.86 52.78 2dfs s ASN 214 Cb 0.07 0.70 -0.12 0.00 0.41 0.00 0.00 41.25 42.31 2dfs s ASN 214 CO 0.12 -0.13 1.37 -2.24 -1.51 0.00 0.00 177.10 174.70 2dfs h ASP 215 N 5.79 0.60 -3.50 -1.22 -0.00 -1.88 0.11 116.42 116.33 2dfs h ASP 215 Ca -0.28 -0.50 -0.61 0.00 -0.00 0.00 0.00 57.03 55.64 2dfs h ASP 215 Cb 1.18 -0.17 -0.37 0.00 -0.00 0.00 0.00 39.33 39.97 2dfs h ASP 215 CO 0.29 0.98 -0.80 0.21 -0.00 0.00 0.00 179.24 179.92 2dfs s ASN 216 N -6.41 3.54 -0.08 4.15 3.84 -1.26 -3.50 114.94 115.22 2dfs s ASN 216 Ca -0.13 -0.98 -0.00 0.00 0.21 0.00 0.00 52.86 51.95 2dfs s ASN 216 Cb 0.07 -1.22 0.03 0.00 -0.55 0.00 0.00 41.25 39.58 2dfs s ASN 216 CO 0.80 -0.17 -0.04 -0.55 -2.79 0.00 0.00 177.10 174.35 2dfs s SER 217 N 1.39 1.66 -0.02 -4.21 0.15 0.01 -4.54 113.70 108.15 2dfs s SER 217 Ca -0.03 -0.17 -0.30 0.00 0.70 0.00 0.00 55.95 56.15 2dfs s SER 217 Cb -0.17 -0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 63.50 2dfs s SER 217 CO -0.07 -0.13 1.51 -0.44 1.20 0.00 0.00 173.24 175.31 2dfs s SER 218 N 1.64 6.76 -0.51 5.45 0.01 -1.26 -1.43 113.70 124.36 2dfs s SER 218 Ca 0.01 2.18 0.02 0.00 1.31 0.00 0.00 55.95 59.47 2dfs s SER 218 Cb -0.13 -2.55 0.47 0.00 0.21 0.00 0.00 66.02 64.02 2dfs s SER 218 CO -0.05 -0.82 1.71 0.54 0.41 0.00 0.00 173.24 175.03 2dfs n ARG 219 N 6.09 2.93 -3.85 12.44 5.12 -0.69 -4.86 116.66 133.84 2dfs n ARG 219 Ca 0.15 -3.57 -0.07 0.00 -1.93 0.00 0.00 57.85 52.43 2dfs n ARG 219 Cb 0.43 -2.25 -0.02 0.00 -1.16 0.00 0.00 32.46 29.46 2dfs n ARG 219 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2dfs s PHE 220 N -3.69 -0.16 -0.13 -1.55 -0.12 -1.26 -1.61 117.98 109.46 2dfs s PHE 220 Ca 0.59 -0.33 -0.05 0.00 -0.05 0.00 0.00 56.93 57.09 2dfs s PHE 220 Cb 0.47 0.72 -0.04 0.00 -0.63 0.00 0.00 43.02 43.55 2dfs s PHE 220 CO 0.01 -1.27 0.05 0.20 -0.05 0.00 0.00 175.22 174.16 2dfs s GLY 221 N -2.94 1.92 -0.15 1.99 0.00 0.03 -4.65 107.32 103.52 2dfs s GLY 221 Ca 0.12 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.11 2dfs s GLY 221 CO 0.07 -0.27 -0.21 1.25 0.00 0.00 0.00 173.10 173.94 2dfs s LYS 222 N -0.38 2.98 -0.23 2.90 2.20 -0.55 -1.49 119.74 125.18 2dfs s LYS 222 Ca 0.09 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 2dfs s LYS 222 Cb -0.12 -2.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.79 2dfs s LYS 222 CO 0.02 -0.06 -0.14 -0.47 -0.36 0.00 0.00 175.35 174.33 2dfs s TYR 223 N 0.94 3.06 -0.33 4.03 5.04 0.14 -0.69 117.35 129.54 2dfs s TYR 223 Ca -0.04 -2.03 -0.09 0.00 -2.44 0.00 0.00 57.07 52.47 2dfs s TYR 223 Cb -0.15 -1.93 0.01 0.00 0.35 0.00 0.00 41.96 40.24 2dfs s TYR 223 CO -0.05 -0.85 0.15 0.42 -1.34 0.00 0.00 175.55 173.89 2dfs s ILE 224 N 1.19 4.38 -0.25 3.14 -1.09 -0.52 -0.26 121.20 127.78 2dfs s ILE 224 Ca -0.03 -0.68 -0.20 0.00 -2.23 0.00 0.00 60.65 57.51 2dfs s ILE 224 Cb -0.17 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2dfs s ILE 224 CO -0.08 -0.05 0.61 -1.61 -1.23 0.00 0.00 174.94 172.58 2dfs s GLU 225 N 1.55 4.11 -0.33 2.79 2.02 0.13 -0.61 118.70 128.37 2dfs s GLU 225 Ca 0.03 0.52 -0.16 0.00 0.02 0.00 0.00 54.97 55.38 2dfs s GLU 225 Cb -0.18 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.39 2dfs s GLU 225 CO 0.05 -0.38 0.38 0.42 0.02 0.00 0.00 175.26 175.75 2dfs s ILE 226 N 2.41 5.15 -0.02 -1.63 -1.09 0.70 -0.65 121.20 126.07 2dfs s ILE 226 Ca 0.26 0.17 -0.18 0.00 -2.23 0.00 0.00 60.65 58.66 2dfs s ILE 226 Cb -0.16 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2dfs s ILE 226 CO 0.09 -0.07 0.50 -0.83 -1.23 0.00 0.00 174.94 173.40 2dfs s GLY 227 N 1.72 2.52 -0.03 6.18 0.00 -0.17 -1.45 107.32 116.10 2dfs s GLY 227 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.81 2dfs s GLY 227 CO 0.12 0.52 -0.22 -1.36 0.00 0.00 0.00 173.10 172.16 2dfs s PHE 228 N -0.41 2.00 0.79 1.90 0.08 0.65 -1.93 117.98 121.05 2dfs s PHE 228 Ca 0.27 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.79 2dfs s PHE 228 Cb -0.17 -1.30 0.11 0.00 -0.57 0.00 0.00 43.02 41.09 2dfs s PHE 228 CO 0.14 -0.08 1.12 0.34 -0.10 0.00 0.00 175.22 176.64 2dfs s ASP 229 N -0.39 4.23 0.00 1.36 2.15 -1.16 0.01 116.67 122.87 2dfs s ASP 229 Ca 0.05 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.34 2dfs s ASP 229 Cb -0.10 -0.72 0.00 0.00 -0.30 0.00 0.00 42.92 41.80 2dfs s ASP 229 CO 0.00 -1.99 0.91 2.29 -0.17 0.00 0.00 175.17 176.21 2dfs n LYS 230 N -3.19 0.81 -0.16 4.34 2.85 -1.26 -0.32 118.16 121.24 2dfs n LYS 230 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2dfs n LYS 230 Cb 0.60 -1.09 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 2dfs n LYS 230 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2dfs n ARG 231 N 0.71 0.00 -3.41 -1.58 1.74 -1.26 -5.08 116.66 107.78 2dfs n ARG 231 Ca 0.00 -0.54 -0.29 0.00 -0.77 0.00 0.00 57.85 56.25 2dfs n ARG 231 Cb 0.41 -0.41 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 2dfs n ARG 231 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dfs n TYR 232 N 0.00 -2.75 -3.83 -1.55 4.01 0.57 -5.06 117.16 108.54 2dfs n TYR 232 Ca 0.00 1.13 -0.12 0.00 -0.16 0.00 0.00 57.90 58.75 2dfs n TYR 232 Cb 0.55 -2.53 -0.13 0.00 -0.31 0.00 0.00 39.34 36.93 2dfs n TYR 232 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2dfs s ARG 233 N -2.95 0.12 0.02 -0.72 3.52 -1.26 -4.76 118.95 112.92 2dfs s ARG 233 Ca 0.27 0.15 -0.34 0.00 -0.13 0.00 0.00 55.73 55.68 2dfs s ARG 233 Cb -0.04 0.06 -0.12 0.00 -1.56 0.00 0.00 34.95 33.29 2dfs s ARG 233 CO 0.85 -0.02 1.76 0.44 -0.81 0.00 0.00 175.30 177.53 2dfs n ILE 234 N 3.03 0.34 0.00 4.11 -5.35 -1.26 -2.96 119.36 117.27 2dfs n ILE 234 Ca -0.12 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 2dfs n ILE 234 Cb 0.59 -1.76 0.00 0.00 -1.74 0.00 0.00 39.64 36.73 2dfs n ILE 234 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2dfs n ILE 235 N 4.44 0.00 -3.72 7.28 -5.35 -0.82 -4.38 119.36 116.81 2dfs n ILE 235 Ca 0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.68 2dfs n ILE 235 Cb 0.30 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 2dfs n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dfs n GLY 236 N 2.35 0.82 3.38 3.28 0.00 -1.24 -4.54 105.19 109.25 2dfs n GLY 236 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 2dfs n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dfs s ALA 237 N -1.13 -0.45 -0.02 4.61 0.00 -0.51 -1.00 121.76 123.26 2dfs s ALA 237 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2dfs s ALA 237 Cb -0.00 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2dfs s ALA 237 CO 0.00 -0.69 0.00 1.21 0.00 0.00 0.00 175.76 176.29 2dfs s ASN 238 N -2.91 0.28 -0.18 0.00 2.47 0.17 -3.89 114.94 110.90 2dfs s ASN 238 Ca 0.12 -0.01 -0.08 0.00 0.42 0.00 0.00 52.86 53.30 2dfs s ASN 238 Cb 0.02 -0.13 -0.04 0.00 -1.45 0.00 0.00 41.25 39.64 2dfs s ASN 238 CO -0.03 -0.07 0.10 -0.32 -3.72 0.00 0.00 177.10 173.06 2dfs s MET 239 N 0.75 3.95 0.00 0.43 -2.45 -1.26 0.21 119.30 120.94 2dfs s MET 239 Ca -0.07 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.19 2dfs s MET 239 Cb -0.10 -3.29 -0.03 0.00 1.25 0.00 0.00 34.83 32.66 2dfs s MET 239 CO -0.02 0.39 -0.23 1.03 1.05 0.00 0.00 175.02 177.24 2dfs s ARG 240 N 0.08 2.08 0.00 4.11 0.52 0.64 -4.98 118.95 121.41 2dfs s ARG 240 Ca 0.08 -0.95 0.08 0.00 -0.52 0.00 0.00 55.73 54.42 2dfs s ARG 240 Cb -0.12 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 2dfs s ARG 240 CO -0.00 0.55 -0.25 0.95 0.02 0.00 0.00 175.30 176.57 2dfs s THR 241 N -0.74 2.20 0.12 0.02 -4.23 -1.26 -0.68 115.64 111.06 2dfs s THR 241 Ca 0.12 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.38 2dfs s THR 241 Cb -0.10 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 2dfs s THR 241 CO 0.01 0.49 0.15 -0.31 -0.54 0.00 0.00 174.62 174.43 2dfs s TYR 242 N -0.71 0.48 -1.47 3.99 2.02 -0.56 -5.00 117.35 116.12 2dfs s TYR 242 Ca 0.11 -0.89 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 2dfs s TYR 242 Cb -0.10 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.25 2dfs s TYR 242 CO 0.01 -0.57 0.88 1.28 -1.57 0.00 0.00 175.55 175.58 2dfs n LEU 243 N -0.10 -2.96 -4.73 -1.29 4.77 -1.26 -0.79 117.00 110.65 2dfs n LEU 243 Ca -0.10 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 2dfs n LEU 243 Cb 0.63 -2.96 -0.03 0.00 -2.33 0.00 0.00 43.42 38.73 2dfs n LEU 243 CO 0.26 0.43 1.05 -0.22 -1.33 0.00 0.00 177.39 177.58 2dfs s LEU 244 N -7.00 4.39 -1.01 2.23 2.96 -1.26 -4.25 118.68 114.74 2dfs s LEU 244 Ca 0.45 2.42 -0.25 0.00 -0.22 0.00 0.00 54.13 56.54 2dfs s LEU 244 Cb -0.20 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.77 2dfs s LEU 244 CO 0.56 -0.62 2.06 -1.61 -1.32 0.00 0.00 176.35 175.42 2dfs s GLU 245 N 0.40 2.07 0.32 1.98 2.02 -0.63 -4.81 118.70 120.06 2dfs s GLU 245 Ca 0.61 -0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.16 2dfs s GLU 245 Cb -0.38 -5.05 0.55 0.00 0.10 0.00 0.00 34.13 29.35 2dfs s GLU 245 CO 0.35 -4.21 1.86 0.87 0.02 0.00 0.00 175.26 174.15 2dfs h LYS 246 N 11.10 0.60 -0.82 1.61 1.57 -1.92 -3.22 116.57 125.49 2dfs h LYS 246 Ca 0.10 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2dfs h LYS 246 Cb 0.98 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2dfs h LYS 246 CO 1.14 0.60 0.54 0.66 -0.57 0.00 0.00 179.45 181.82 2dfs h SER 247 N 0.58 0.87 -0.23 0.86 4.64 -1.87 -2.85 113.55 115.55 2dfs h SER 247 Ca 0.13 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.50 2dfs h SER 247 Cb 0.32 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2dfs h SER 247 CO 0.01 0.59 0.21 -0.09 -0.87 0.00 0.00 176.83 176.68 2dfs h ARG 248 N 1.01 0.00 -0.60 4.77 2.43 -1.73 -2.28 114.38 117.98 2dfs h ARG 248 Ca 0.33 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.52 2dfs h ARG 248 Cb 0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 2dfs h ARG 248 CO -0.10 0.00 0.40 0.28 -1.51 0.00 0.00 179.97 179.04 2dfs h VAL 249 N 0.00 1.10 0.00 0.20 2.07 -1.70 -3.26 116.25 114.66 2dfs h VAL 249 Ca 0.11 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2dfs h VAL 249 Cb 0.52 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2dfs h VAL 249 CO -0.00 0.14 0.00 1.33 0.02 0.00 0.00 177.57 179.05 2dfs n VAL 250 N -4.46 0.00 -4.29 2.57 0.24 -1.01 -4.85 118.33 106.53 2dfs n VAL 250 Ca 0.07 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.69 2dfs n VAL 250 Cb 0.11 1.00 -0.14 0.00 -1.47 0.00 0.00 33.84 33.34 2dfs n VAL 250 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2dfs s PHE 251 N -0.39 0.85 0.01 6.34 5.36 -0.89 -4.83 117.98 124.43 2dfs s PHE 251 Ca 0.00 -0.25 -0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2dfs s PHE 251 Cb 0.00 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 42.14 2dfs s PHE 251 CO 0.00 -0.01 0.00 -0.65 -1.46 0.00 0.00 175.22 173.10 2dfs s GLN 252 N -0.65 0.31 0.40 10.12 1.11 -1.26 -4.26 119.66 125.42 2dfs s GLN 252 Ca 0.01 -0.51 0.08 0.00 0.01 0.00 0.00 55.36 54.94 2dfs s GLN 252 Cb -0.05 0.11 0.00 0.00 -1.01 0.00 0.00 33.01 32.06 2dfs s GLN 252 CO 0.00 -0.05 0.54 0.00 0.01 0.00 0.00 175.29 175.79 2dfs s ALA 253 N -1.29 4.45 -0.06 6.09 0.00 -1.26 -4.35 121.76 125.33 2dfs s ALA 253 Ca -0.14 -1.61 -0.40 0.00 0.00 0.00 0.00 51.96 49.81 2dfs s ALA 253 Cb -0.09 -1.64 -0.18 0.00 0.00 0.00 0.00 23.12 21.21 2dfs s ALA 253 CO -0.01 -0.21 1.31 -1.91 0.00 0.00 0.00 175.76 174.94 2dfs n GLU 254 N -1.79 0.54 -3.55 0.00 4.07 -1.26 -2.41 120.64 116.24 2dfs n GLU 254 Ca 0.06 0.20 -0.23 0.00 -0.06 0.00 0.00 57.16 57.13 2dfs n GLU 254 Cb 0.59 -1.77 0.08 0.00 -0.06 0.00 0.00 31.44 30.28 2dfs n GLU 254 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2dfs n GLU 255 N 2.62 -7.63 -4.16 5.31 0.00 0.55 -4.73 120.64 112.61 2dfs n GLU 255 Ca 0.22 0.79 -0.15 0.00 0.00 0.00 0.00 57.16 58.02 2dfs n GLU 255 Cb 0.11 -5.74 -0.11 0.00 0.00 0.00 0.00 31.44 25.69 2dfs n GLU 255 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2dfs s GLU 256 N -6.24 0.79 0.28 5.31 2.02 -1.01 -3.26 118.70 116.59 2dfs s GLU 256 Ca 0.55 -1.05 0.10 0.00 0.02 0.00 0.00 54.97 54.58 2dfs s GLU 256 Cb -0.24 -0.55 -0.04 0.00 0.10 0.00 0.00 34.13 33.39 2dfs s GLU 256 CO 0.70 0.10 -0.01 1.03 0.02 0.00 0.00 175.26 177.09 2dfs s ARG 257 N -2.38 2.22 1.44 1.61 0.52 -0.59 -3.98 118.95 117.79 2dfs s ARG 257 Ca 0.01 -1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 53.50 2dfs s ARG 257 Cb -0.05 -2.11 0.37 0.00 0.52 0.00 0.00 34.95 33.68 2dfs s ARG 257 CO 0.01 0.33 0.90 -1.71 0.02 0.00 0.00 175.30 174.84 2dfs n ASN 258 N -0.89 -3.88 -4.67 0.23 2.85 -1.26 -4.38 115.26 103.25 2dfs n ASN 258 Ca -0.06 -0.92 -0.40 0.00 -0.11 0.00 0.00 54.58 53.09 2dfs n ASN 258 Cb 0.59 -1.00 0.03 0.00 1.24 0.00 0.00 39.78 40.65 2dfs n ASN 258 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2dfs n TYR 259 N -5.70 1.69 -0.35 1.20 4.01 -1.26 -4.39 117.16 112.36 2dfs n TYR 259 Ca 0.14 0.48 0.05 0.00 -0.16 0.00 0.00 57.90 58.41 2dfs n TYR 259 Cb 0.60 -2.29 0.23 0.00 -0.31 0.00 0.00 39.34 37.57 2dfs n TYR 259 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2dfs h HIS 260 N 1.47 1.12 -0.85 -0.72 3.86 -1.13 -2.95 115.15 115.96 2dfs h HIS 260 Ca -0.48 0.03 0.16 0.00 -1.16 0.00 0.00 60.37 58.92 2dfs h HIS 260 Cb 1.32 -0.36 -0.06 0.00 1.06 0.00 0.00 27.41 29.37 2dfs h HIS 260 CO 0.44 0.52 0.56 0.97 0.86 0.00 0.00 177.93 181.28 2dfs h ILE 261 N 1.04 0.77 -0.91 2.45 6.09 -1.40 -0.47 117.51 125.08 2dfs h ILE 261 Ca 0.45 -0.17 -0.01 0.00 -1.37 0.00 0.00 64.86 63.75 2dfs h ILE 261 Cb 0.33 0.22 -0.04 0.00 0.47 0.00 0.00 36.82 37.80 2dfs h ILE 261 CO -0.20 0.09 0.52 -0.26 -3.07 0.00 0.00 178.15 175.23 2dfs h PHE 262 N 0.50 1.23 -0.05 2.19 0.04 -1.81 -1.24 116.94 117.80 2dfs h PHE 262 Ca 0.43 -0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.93 2dfs h PHE 262 Cb 0.91 -0.40 0.01 0.00 2.20 0.00 0.00 35.95 38.68 2dfs h PHE 262 CO -0.00 0.83 -0.93 1.88 -0.60 0.00 0.00 178.31 179.49 2dfs h TYR 263 N 1.27 0.99 -0.96 -0.55 0.05 -1.28 -2.23 116.97 114.26 2dfs h TYR 263 Ca 0.32 -0.50 0.05 0.00 0.05 0.00 0.00 58.73 58.65 2dfs h TYR 263 Cb -0.01 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.54 2dfs h TYR 263 CO 0.01 1.33 0.63 1.96 -1.05 0.00 0.00 178.16 181.04 2dfs h GLN 264 N 0.42 1.13 -0.21 4.88 4.20 -1.30 -0.97 115.11 123.26 2dfs h GLN 264 Ca -0.10 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 2dfs h GLN 264 Cb 1.57 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 2dfs h GLN 264 CO 0.18 0.75 0.03 1.25 -0.67 0.00 0.00 178.83 180.37 2dfs h LEU 265 N 1.16 0.34 -0.85 1.46 5.85 -1.19 -2.83 115.31 119.25 2dfs h LEU 265 Ca 0.40 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2dfs h LEU 265 Cb 0.09 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2dfs h LEU 265 CO -0.14 0.52 0.11 0.00 -0.34 0.00 0.00 178.44 178.59 2dfs h ALA 267 N 1.20 1.00 -0.64 0.00 0.00 -1.26 -2.74 119.26 116.82 2dfs h ALA 267 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dfs h ALA 267 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dfs h ALA 267 CO 0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.69 2dfs n SER 268 N -3.01 3.58 0.03 0.00 7.64 -0.96 -4.67 113.62 116.23 2dfs n SER 268 Ca 0.01 -2.05 0.02 0.00 1.01 0.00 0.00 58.87 57.86 2dfs n SER 268 Cb 0.32 -0.45 0.36 0.00 -1.01 0.00 0.00 64.21 63.44 2dfs n SER 268 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dfs h ALA 269 N 4.17 1.51 -0.01 -0.43 0.00 -1.17 -2.96 119.26 120.37 2dfs h ALA 269 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dfs h ALA 269 Cb 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2dfs h ALA 269 CO 0.02 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 2dfs n ALA 270 N -2.48 2.78 -1.75 0.00 0.00 -1.26 -4.54 120.51 113.26 2dfs n ALA 270 Ca 0.01 -0.30 -0.37 0.00 0.00 0.00 0.00 53.44 52.79 2dfs n ALA 270 Cb 0.19 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.38 2dfs n ALA 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dfs s LEU 271 N -2.40 3.73 0.20 0.00 1.43 -1.12 -4.97 118.68 115.55 2dfs s LEU 271 Ca 0.30 2.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.91 2dfs s LEU 271 Cb 0.20 -4.48 0.15 0.00 0.03 0.00 0.00 46.19 42.09 2dfs s LEU 271 CO 0.46 -1.61 1.54 1.55 0.23 0.00 0.00 176.35 178.52 2dfs h PRO 272 N 1.09 0.56 0.00 1.29 0.13 -1.90 -2.96 132.00 130.21 2dfs h PRO 272 Ca -0.51 -0.33 -0.03 0.00 -0.87 0.00 0.00 66.00 64.27 2dfs h PRO 272 Cb 1.30 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 2dfs h PRO 272 CO 0.56 0.93 -0.16 1.05 -0.23 0.00 0.00 178.00 180.14 2dfs h GLU 273 N 0.44 0.00 -0.11 0.86 9.09 -1.96 -3.21 114.58 119.70 2dfs h GLU 273 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2dfs h GLU 273 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 2dfs h GLU 273 CO 0.09 0.16 0.00 1.19 0.05 0.00 0.00 179.01 180.50 2dfs n PHE 274 N -3.20 0.12 0.32 2.06 3.72 -1.12 -4.32 117.46 115.04 2dfs n PHE 274 Ca 0.02 -0.06 0.16 0.00 -0.05 0.00 0.00 57.45 57.51 2dfs n PHE 274 Cb 0.50 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.65 2dfs n PHE 274 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2dfs h LYS 275 N 2.79 0.00 0.00 -1.08 3.64 -1.56 -1.26 116.57 119.10 2dfs h LYS 275 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dfs h LYS 275 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2dfs h LYS 275 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 2dfs n THR 276 N -2.83 0.65 0.31 1.00 -2.24 -1.26 -2.99 114.28 106.92 2dfs n THR 276 Ca 0.01 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.71 2dfs n THR 276 Cb 0.29 -0.69 0.21 0.00 -2.10 0.00 0.00 70.33 68.04 2dfs n THR 276 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2dfs h LEU 277 N 0.00 0.00 -1.05 3.22 4.07 -1.53 -3.48 115.31 116.54 2dfs h LEU 277 Ca 0.00 -0.01 -0.38 0.00 0.08 0.00 0.00 57.88 57.57 2dfs h LEU 277 Cb 0.68 0.00 0.15 0.00 1.08 0.00 0.00 40.66 42.57 2dfs h LEU 277 CO 0.00 0.00 -0.70 0.54 -1.08 0.00 0.00 178.44 177.21 2dfs n ARG 278 N -2.86 -7.60 -3.17 1.13 1.74 -1.16 -4.94 116.66 99.80 2dfs n ARG 278 Ca 0.04 0.83 -0.32 0.00 -0.77 0.00 0.00 57.85 57.63 2dfs n ARG 278 Cb 0.51 -5.86 -0.06 0.00 -1.02 0.00 0.00 32.46 26.04 2dfs n ARG 278 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dfs s LEU 279 N -7.03 4.06 0.00 0.55 1.43 -1.26 -5.11 118.68 111.32 2dfs s LEU 279 Ca 0.44 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2dfs s LEU 279 Cb -0.19 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.04 2dfs s LEU 279 CO 0.72 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.72 2dfs n GLY 280 N -0.41 3.48 3.65 -3.19 0.00 -1.26 -4.91 105.19 102.55 2dfs n GLY 280 Ca 0.03 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 2dfs n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dfs s ASN 281 N -0.67 1.83 0.56 1.61 2.20 -1.26 -4.80 114.94 114.41 2dfs s ASN 281 Ca 0.00 0.86 0.34 0.00 -0.94 0.00 0.00 52.86 53.11 2dfs s ASN 281 Cb 0.00 -1.29 1.54 0.00 -2.00 0.00 0.00 41.25 39.50 2dfs s ASN 281 CO 0.00 -3.58 2.06 0.00 -2.94 0.00 0.00 177.10 172.63 2dfs h ALA 282 N -2.21 1.04 0.00 3.54 0.00 -1.92 -2.18 119.26 117.53 2dfs h ALA 282 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dfs h ALA 282 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dfs h ALA 282 CO 0.46 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.85 2dfs n ASN 283 N -3.20 0.46 -0.01 0.00 4.13 -1.26 -3.54 115.26 111.83 2dfs n ASN 283 Ca -0.01 0.56 -0.13 0.00 1.68 0.00 0.00 54.58 56.68 2dfs n ASN 283 Cb 0.26 -0.67 -0.09 0.00 -1.54 0.00 0.00 39.78 37.74 2dfs n ASN 283 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2dfs h TYR 284 N 0.00 0.07 -3.31 3.10 3.20 -1.74 -3.46 116.97 114.83 2dfs h TYR 284 Ca 0.00 -0.02 -0.57 0.00 3.14 0.00 0.00 58.73 61.28 2dfs h TYR 284 Cb 0.58 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 2dfs h TYR 284 CO 0.00 0.45 -0.07 -0.06 -1.64 0.00 0.00 178.16 176.84 2dfs s PHE 285 N -4.57 3.58 0.36 -3.82 0.08 -1.24 -4.98 117.98 107.40 2dfs s PHE 285 Ca -0.15 1.04 0.07 0.00 0.12 0.00 0.00 56.93 58.01 2dfs s PHE 285 Cb 0.03 -2.59 0.77 0.00 -0.57 0.00 0.00 43.02 40.66 2dfs s PHE 285 CO 0.68 0.23 1.93 1.25 -0.10 0.00 0.00 175.22 179.22 2dfs h HIS 286 N 6.31 0.78 -0.00 0.36 -0.00 -1.85 -1.75 115.15 118.99 2dfs h HIS 286 Ca -0.43 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 2dfs h HIS 286 Cb 1.19 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.35 2dfs h HIS 286 CO 0.64 0.37 -0.01 0.66 -0.00 0.00 0.00 177.93 179.59 2dfs n TYR 287 N -4.50 0.00 -0.25 5.26 4.01 -1.26 -3.82 117.16 116.59 2dfs n TYR 287 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2dfs n TYR 287 Cb 0.31 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 2dfs n TYR 287 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2dfs n THR 288 N -1.22 0.13 0.58 -0.72 -2.24 -0.72 -4.66 114.28 105.42 2dfs n THR 288 Ca 0.16 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2dfs n THR 288 Cb 0.23 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 2dfs n THR 288 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2dfs n LYS 289 N -0.07 2.24 -0.19 -0.78 2.85 -0.82 -4.77 118.16 116.62 2dfs n LYS 289 Ca 0.00 -0.47 -0.09 0.00 -1.05 0.00 0.00 58.31 56.70 2dfs n LYS 289 Cb 0.11 -1.14 0.01 0.00 -0.65 0.00 0.00 35.03 33.36 2dfs n LYS 289 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 2dfs h GLN 290 N 0.97 0.87 -0.00 -1.58 4.20 -1.85 -3.00 115.11 114.71 2dfs h GLN 290 Ca 0.00 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2dfs h GLN 290 Cb 0.39 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2dfs h GLN 290 CO 0.00 0.84 -0.01 0.41 -0.67 0.00 0.00 178.83 179.40 2dfs n GLY 291 N -0.57 -0.82 3.35 3.46 0.00 -1.26 -4.70 105.19 104.66 2dfs n GLY 291 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2dfs n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dfs n GLY 292 N 1.09 1.28 3.33 -0.02 0.00 -1.14 -0.33 105.19 109.40 2dfs n GLY 292 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2dfs n GLY 292 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dfs s SER 293 N -3.01 5.64 -0.03 1.61 0.15 -1.26 -4.95 113.70 111.85 2dfs s SER 293 Ca 0.00 -1.17 0.13 0.00 0.70 0.00 0.00 55.95 55.62 2dfs s SER 293 Cb 0.00 -1.99 -0.20 0.00 -1.71 0.00 0.00 66.02 62.12 2dfs s SER 293 CO 0.00 -0.42 0.27 -0.81 1.20 0.00 0.00 173.24 173.48 2dfs n PRO 294 N 4.95 0.58 -4.40 5.44 -0.04 -1.26 -4.68 135.00 135.59 2dfs n PRO 294 Ca -0.11 -0.11 -0.20 0.00 -0.04 0.00 0.00 63.50 63.04 2dfs n PRO 294 Cb 0.45 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.44 2dfs n PRO 294 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dfs s VAL 295 N -2.87 0.77 -0.12 0.52 1.01 -1.26 -4.99 120.40 113.46 2dfs s VAL 295 Ca -0.05 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2dfs s VAL 295 Cb 0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 2dfs s VAL 295 CO 0.56 0.23 0.24 -0.63 0.00 0.00 0.00 175.10 175.50 2dfs s ILE 296 N -0.05 5.33 0.27 2.22 1.01 -1.26 -5.06 121.20 123.66 2dfs s ILE 296 Ca 0.01 0.44 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 2dfs s ILE 296 Cb -0.06 -3.55 -0.12 0.00 0.01 0.00 0.00 42.46 38.74 2dfs s ILE 296 CO -0.00 0.52 1.53 -0.67 0.00 0.00 0.00 174.94 176.31 2dfs n ASP 297 N 2.62 3.41 0.00 3.58 2.03 -1.26 -2.53 116.55 124.41 2dfs n ASP 297 Ca -0.16 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.29 2dfs n ASP 297 Cb 0.53 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 2dfs n ASP 297 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dfs n GLY 298 N 2.24 0.96 3.35 0.27 0.00 -1.26 -5.02 105.19 105.72 2dfs n GLY 298 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2dfs n GLY 298 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dfs s ILE 299 N -3.53 2.97 -0.55 -0.61 -1.09 -1.05 -5.06 121.20 112.28 2dfs s ILE 299 Ca 0.00 -0.68 -0.19 0.00 -2.23 0.00 0.00 60.65 57.54 2dfs s ILE 299 Cb 0.00 -2.25 0.08 0.00 -1.58 0.00 0.00 42.46 38.71 2dfs s ILE 299 CO 0.00 0.52 0.68 -0.62 -1.23 0.00 0.00 174.94 174.29 2dfs s ASP 300 N 0.44 6.21 0.46 3.58 3.68 -1.26 -4.68 116.67 125.10 2dfs s ASP 300 Ca -0.10 -1.13 0.13 0.00 2.13 0.00 0.00 52.55 53.57 2dfs s ASP 300 Cb -0.16 -2.30 1.07 0.00 -1.45 0.00 0.00 42.92 40.08 2dfs s ASP 300 CO 0.05 -1.02 2.07 0.44 0.13 0.00 0.00 175.17 176.84 2dfs h ASP 301 N 9.11 0.26 -0.31 -0.34 3.45 -1.95 -2.13 116.42 124.51 2dfs h ASP 301 Ca -0.28 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.08 2dfs h ASP 301 Cb 1.09 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 2dfs h ASP 301 CO 1.04 0.18 -0.17 0.00 -1.57 0.00 0.00 179.24 178.71 2dfs h ALA 302 N 1.82 0.44 -0.86 3.45 0.00 -1.85 -1.65 119.26 120.61 2dfs h ALA 302 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2dfs h ALA 302 Cb 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2dfs h ALA 302 CO -0.03 0.36 0.42 0.87 0.00 0.00 0.00 179.25 180.87 2dfs h LYS 303 N 0.42 1.23 -0.22 0.00 1.57 -1.87 -2.00 116.57 115.71 2dfs h LYS 303 Ca 0.07 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2dfs h LYS 303 Cb 0.71 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2dfs h LYS 303 CO 0.05 0.94 -0.07 0.93 -0.57 0.00 0.00 179.45 180.73 2dfs h GLU 304 N 1.22 0.34 -0.80 3.15 4.39 -1.38 -1.52 114.58 119.98 2dfs h GLU 304 Ca 0.30 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 2dfs h GLU 304 Cb 0.11 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 2dfs h GLU 304 CO -0.04 0.43 0.40 1.98 -1.16 0.00 0.00 179.01 180.63 2dfs h MET 305 N 0.33 1.14 -0.31 2.33 4.05 -0.86 0.12 114.93 121.72 2dfs h MET 305 Ca 0.07 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2dfs h MET 305 Cb 0.34 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2dfs h MET 305 CO 0.02 0.86 0.18 0.28 0.23 0.00 0.00 176.91 178.48 2dfs h VAL 306 N 1.13 1.04 -0.58 -5.77 2.07 -0.64 -0.50 116.25 113.01 2dfs h VAL 306 Ca 0.28 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2dfs h VAL 306 Cb 0.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2dfs h VAL 306 CO -0.04 0.07 0.30 -1.13 0.02 0.00 0.00 177.57 176.79 2dfs h ASN 307 N 0.38 0.73 -0.35 0.57 -1.24 -1.17 -1.76 115.58 112.74 2dfs h ASN 307 Ca 0.12 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2dfs h ASN 307 Cb -0.01 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 2dfs h ASN 307 CO -0.05 0.63 0.23 0.74 -1.29 0.00 0.00 177.43 177.69 2dfs h THR 308 N 0.78 1.09 -0.63 -3.57 2.02 -0.56 -1.11 112.91 110.92 2dfs h THR 308 Ca 0.20 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2dfs h THR 308 Cb 0.07 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2dfs h THR 308 CO -0.03 0.09 0.19 0.03 0.37 0.00 0.00 175.52 176.17 2dfs h ARG 309 N 0.47 0.99 -0.81 6.66 3.08 -1.04 -2.48 114.38 121.25 2dfs h ARG 309 Ca 0.13 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2dfs h ARG 309 Cb -0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 2dfs h ARG 309 CO -0.03 0.88 0.51 1.96 -1.07 0.00 0.00 179.97 182.22 2dfs h GLN 310 N 0.92 1.09 -0.86 0.04 4.20 -1.02 -1.60 115.11 117.88 2dfs h GLN 310 Ca 0.20 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2dfs h GLN 310 Cb 0.31 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2dfs h GLN 310 CO -0.00 0.75 0.44 0.00 -0.67 0.00 0.00 178.83 179.34 2dfs h ALA 311 N 1.28 1.11 -0.85 3.87 0.00 -1.10 -1.56 119.26 122.01 2dfs h ALA 311 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dfs h ALA 311 Cb -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.32 2dfs h ALA 311 CO -0.06 0.65 0.52 0.00 0.00 0.00 0.00 179.25 180.36 2dfs h THR 313 N 1.16 1.13 -0.83 0.00 2.02 -1.04 -1.62 112.91 113.74 2dfs h THR 313 Ca 0.31 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2dfs h THR 313 Cb -0.06 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 2dfs h THR 313 CO -0.06 0.15 0.49 -0.07 0.37 0.00 0.00 175.52 176.39 2dfs h LEU 314 N 0.80 1.00 -2.84 2.58 3.38 -1.00 -2.90 115.31 116.32 2dfs h LEU 314 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dfs h LEU 314 Cb -0.06 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2dfs h LEU 314 CO -0.06 0.77 0.00 0.18 0.09 0.00 0.00 178.44 179.42 2dfs n LEU 315 N -4.37 4.41 0.00 1.67 4.77 -0.88 -4.94 117.00 117.67 2dfs n LEU 315 Ca 0.09 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 2dfs n LEU 315 Cb 0.07 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2dfs n LEU 315 CO 0.38 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 2dfs n GLY 316 N 0.64 0.48 3.55 -0.72 0.00 -1.00 -4.58 105.19 103.55 2dfs n GLY 316 Ca 0.21 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2dfs n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dfs s ILE 317 N -2.00 3.67 0.39 -0.61 1.01 -0.64 -4.97 121.20 118.04 2dfs s ILE 317 Ca 0.00 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.59 2dfs s ILE 317 Cb 0.00 -4.73 -0.11 0.00 0.01 0.00 0.00 42.46 37.63 2dfs s ILE 317 CO 0.00 -1.67 1.14 -1.54 0.00 0.00 0.00 174.94 172.87 2dfs n SER 318 N 10.08 1.92 -0.14 3.58 3.41 -1.26 -4.40 113.62 126.81 2dfs n SER 318 Ca 0.11 1.11 0.27 0.00 -0.26 0.00 0.00 58.87 60.10 2dfs n SER 318 Cb 0.50 -1.41 0.72 0.00 -0.26 0.00 0.00 64.21 63.75 2dfs n SER 318 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2dfs h ASP 319 N 1.95 0.00 -0.66 4.04 3.32 -1.96 0.36 116.42 123.47 2dfs h ASP 319 Ca -0.45 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.62 2dfs h ASP 319 Cb 1.32 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 2dfs h ASP 319 CO 0.59 0.00 0.43 0.77 -1.72 0.00 0.00 179.24 179.31 2dfs h SER 320 N 0.00 0.72 0.40 6.45 4.64 -2.00 -2.44 113.55 121.31 2dfs h SER 320 Ca 0.39 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.52 2dfs h SER 320 Cb 1.56 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 2dfs h SER 320 CO -0.01 0.51 -0.77 1.88 -0.87 0.00 0.00 176.83 177.58 2dfs h TYR 321 N 0.86 0.41 -0.39 4.77 0.05 -0.68 -2.95 116.97 119.04 2dfs h TYR 321 Ca 0.25 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.87 2dfs h TYR 321 Cb -0.05 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2dfs h TYR 321 CO -0.04 0.95 0.19 1.96 -1.05 0.00 0.00 178.16 180.17 2dfs h GLN 322 N 0.19 0.38 -0.50 4.88 4.20 -1.01 -1.34 115.11 121.91 2dfs h GLN 322 Ca -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2dfs h GLN 322 Cb 1.35 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2dfs h GLN 322 CO 0.12 0.25 0.29 0.52 -0.67 0.00 0.00 178.83 179.34 2dfs h MET 323 N 0.39 0.67 -0.44 1.46 2.86 -1.53 -2.22 114.93 116.12 2dfs h MET 323 Ca 0.16 -0.06 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 2dfs h MET 323 Cb 0.07 -0.14 -0.10 0.00 0.06 0.00 0.00 31.60 31.49 2dfs h MET 323 CO -0.12 0.48 -0.32 0.78 1.06 0.00 0.00 176.91 178.80 2dfs h GLY 324 N 0.74 -0.19 0.84 8.32 0.00 -1.10 -1.32 103.07 110.36 2dfs h GLY 324 Ca 0.18 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.91 2dfs h GLY 324 CO -0.03 -0.21 0.01 -2.22 0.00 0.00 0.00 176.54 174.09 2dfs h ILE 325 N -0.22 1.14 -0.66 2.60 2.04 -0.72 -2.66 117.51 119.02 2dfs h ILE 325 Ca 0.19 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2dfs h ILE 325 Cb 0.53 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2dfs h ILE 325 CO -0.57 0.11 0.24 -0.26 0.00 0.00 0.00 178.15 177.68 2dfs h PHE 326 N -0.12 1.00 -0.73 1.37 0.04 -1.46 -1.98 116.94 115.07 2dfs h PHE 326 Ca 0.01 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2dfs h PHE 326 Cb 0.17 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2dfs h PHE 326 CO -0.02 0.78 0.34 -0.09 -0.60 0.00 0.00 178.31 178.72 2dfs h ARG 327 N 0.96 1.06 -0.42 1.51 9.65 -1.22 -0.81 114.38 125.12 2dfs h ARG 327 Ca 0.22 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 2dfs h ARG 327 Cb 0.22 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2dfs h ARG 327 CO -0.02 0.84 0.11 0.82 2.80 0.00 0.00 179.97 184.52 2dfs h ILE 328 N 1.03 1.23 -0.81 1.20 2.04 -1.09 -2.29 117.51 118.82 2dfs h ILE 328 Ca 0.25 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2dfs h ILE 328 Cb 0.14 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 2dfs h ILE 328 CO -0.03 0.28 0.52 -0.07 0.00 0.00 0.00 178.15 178.85 2dfs h LEU 329 N 0.55 0.94 -1.12 1.44 3.38 -1.23 -1.16 115.31 118.11 2dfs h LEU 329 Ca 0.13 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2dfs h LEU 329 Cb 0.31 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2dfs h LEU 329 CO 0.00 0.70 0.60 0.00 0.09 0.00 0.00 178.44 179.83 2dfs h ALA 330 N 1.29 1.40 -0.41 1.53 0.00 -1.10 -1.38 119.26 120.59 2dfs h ALA 330 Ca 0.30 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 2dfs h ALA 330 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 2dfs h ALA 330 CO -0.06 0.52 -0.19 0.78 0.00 0.00 0.00 179.25 180.30 2dfs h GLY 331 N 1.16 0.86 1.00 0.00 0.00 -0.77 -0.87 103.07 104.45 2dfs h GLY 331 Ca 0.35 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2dfs h GLY 331 CO -0.10 0.65 0.39 -2.22 0.00 0.00 0.00 176.54 175.26 2dfs h ILE 332 N 0.70 1.19 -0.27 2.60 2.04 -0.90 0.60 117.51 123.47 2dfs h ILE 332 Ca 0.10 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2dfs h ILE 332 Cb 0.70 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2dfs h ILE 332 CO 0.05 0.20 0.16 -0.07 0.00 0.00 0.00 178.15 178.50 2dfs h LEU 333 N 0.89 0.33 -0.79 1.44 3.38 -1.04 -2.60 115.31 116.92 2dfs h LEU 333 Ca 0.23 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 2dfs h LEU 333 Cb -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2dfs h LEU 333 CO -0.04 0.28 -0.11 0.45 0.09 0.00 0.00 178.44 179.11 2dfs h HIS 334 N 0.34 0.88 -0.83 1.13 3.86 -1.03 -2.93 115.15 116.57 2dfs h HIS 334 Ca 0.10 -0.16 0.10 0.00 -1.16 0.00 0.00 60.37 59.24 2dfs h HIS 334 Cb 0.02 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.20 2dfs h HIS 334 CO -0.04 0.87 0.54 1.25 0.86 0.00 0.00 177.93 181.40 2dfs h LEU 335 N 0.72 0.70 -1.91 2.43 5.85 -0.80 -2.25 115.31 120.06 2dfs h LEU 335 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2dfs h LEU 335 Cb 0.60 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2dfs h LEU 335 CO 0.04 0.41 0.00 1.23 -0.34 0.00 0.00 178.44 179.78 2dfs h GLY 336 N 0.77 0.00 -2.46 3.75 0.00 -1.27 -2.52 103.07 101.35 2dfs h GLY 336 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2dfs h GLY 336 CO -0.15 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.09 2dfs n ASN 337 N -2.92 3.64 -4.62 0.19 4.13 -0.85 -4.56 115.26 110.28 2dfs n ASN 337 Ca -0.01 -2.00 -0.43 0.00 1.68 0.00 0.00 54.58 53.83 2dfs n ASN 337 Cb 0.19 -0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 38.08 2dfs n ASN 337 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2dfs s VAL 338 N -1.36 3.34 0.06 2.41 1.01 -0.95 -4.82 120.40 120.09 2dfs s VAL 338 Ca 0.42 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 2dfs s VAL 338 Cb 0.24 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2dfs s VAL 338 CO 0.33 -0.19 0.21 -0.70 0.00 0.00 0.00 175.10 174.75 2dfs s GLU 339 N 5.34 3.44 -0.12 2.72 -6.30 -1.26 -5.09 118.70 117.44 2dfs s GLU 339 Ca 0.84 -0.42 0.01 0.00 -2.50 0.00 0.00 54.97 52.90 2dfs s GLU 339 Cb -0.29 -3.04 -0.01 0.00 0.00 0.00 0.00 34.13 30.79 2dfs s GLU 339 CO 0.34 0.61 -0.17 -0.06 0.02 0.00 0.00 175.26 176.00 2dfs s PHE 340 N -1.50 2.72 -0.18 5.30 0.08 -1.26 -4.37 117.98 118.76 2dfs s PHE 340 Ca 0.35 -0.77 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 2dfs s PHE 340 Cb -0.13 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2dfs s PHE 340 CO 0.27 -0.27 -0.05 0.00 -0.10 0.00 0.00 175.22 175.07 2dfs s ALA 341 N 0.31 2.85 0.44 5.36 0.00 -0.21 -4.91 121.76 125.60 2dfs s ALA 341 Ca -0.13 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 2dfs s ALA 341 Cb -0.16 -1.58 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 2dfs s ALA 341 CO 0.07 -0.11 1.43 -1.54 0.00 0.00 0.00 175.76 175.61 2dfs s SER 342 N 0.93 5.94 0.30 0.00 1.04 -1.26 -1.10 113.70 119.55 2dfs s SER 342 Ca -0.00 2.93 0.05 0.00 0.48 0.00 0.00 55.95 59.40 2dfs s SER 342 Cb -0.15 -2.66 -0.03 0.00 0.10 0.00 0.00 66.02 63.29 2dfs s SER 342 CO 0.01 -1.14 0.22 -0.13 0.98 0.00 0.00 173.24 173.18 2dfs s ARG 343 N -2.41 1.63 0.65 4.02 1.81 0.14 -4.87 118.95 119.92 2dfs s ARG 343 Ca 0.60 -1.93 -0.17 0.00 -1.72 0.00 0.00 55.73 52.51 2dfs s ARG 343 Cb -0.44 0.19 -0.09 0.00 -0.45 0.00 0.00 34.95 34.16 2dfs s ARG 343 CO 0.57 -0.56 0.18 -3.47 -0.68 0.00 0.00 175.30 171.34 2dfs n ASP 344 N -1.17 -2.46 -3.61 0.23 2.03 -1.26 -2.87 116.55 107.43 2dfs n ASP 344 Ca 0.05 0.60 -0.22 0.00 0.52 0.00 0.00 54.79 55.73 2dfs n ASP 344 Cb 0.64 -1.04 0.06 0.00 -0.72 0.00 0.00 41.12 40.06 2dfs n ASP 344 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2dfs n SER 345 N 1.15 -3.35 -3.53 1.67 7.64 -1.26 -3.02 113.62 112.91 2dfs n SER 345 Ca 0.08 -0.67 -0.30 0.00 1.01 0.00 0.00 58.87 59.00 2dfs n SER 345 Cb 0.49 -4.66 0.02 0.00 -1.01 0.00 0.00 64.21 59.05 2dfs n SER 345 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2dfs n ASP 346 N -3.04 -4.72 -3.22 6.43 2.03 -1.26 -4.98 116.55 107.79 2dfs n ASP 346 Ca -0.17 -0.56 -0.18 0.00 0.52 0.00 0.00 54.79 54.40 2dfs n ASP 346 Cb 0.62 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 2dfs n ASP 346 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dfs s SER 347 N -2.18 1.49 0.16 1.67 1.04 -1.14 -3.28 113.70 111.47 2dfs s SER 347 Ca 0.17 -1.69 -0.13 0.00 0.48 0.00 0.00 55.95 54.78 2dfs s SER 347 Cb -0.02 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.73 2dfs s SER 347 CO 0.82 -1.19 0.37 0.00 0.98 0.00 0.00 173.24 174.23 2dfs s ALA 349 N -3.89 -1.20 0.55 0.00 0.00 -0.26 -4.87 121.76 112.08 2dfs s ALA 349 Ca 0.10 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 2dfs s ALA 349 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 2dfs s ALA 349 CO -0.05 -0.30 1.36 0.42 0.00 0.00 0.00 175.76 177.19 2dfs s ILE 350 N -1.20 2.06 0.53 0.00 1.09 -1.26 -1.05 121.20 121.37 2dfs s ILE 350 Ca -0.12 0.04 -0.21 0.00 -1.10 0.00 0.00 60.65 59.27 2dfs s ILE 350 Cb -0.03 -3.02 -0.06 0.00 -1.06 0.00 0.00 42.46 38.29 2dfs s ILE 350 CO 0.06 -0.00 1.17 -2.84 -0.10 0.00 0.00 174.94 173.23 2dfs s PRO 351 N -2.91 3.39 0.17 2.79 0.02 -1.26 -4.87 135.00 132.33 2dfs s PRO 351 Ca 0.72 1.74 -0.32 0.00 0.02 0.00 0.00 61.00 63.16 2dfs s PRO 351 Cb -0.41 -2.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.86 2dfs s PRO 351 CO 0.48 -0.85 1.73 -0.35 -0.33 0.00 0.00 177.00 177.69 2dfs n PRO 352 N -1.09 2.66 -3.30 5.54 -0.04 -1.26 -3.40 135.00 134.12 2dfs n PRO 352 Ca 0.11 0.96 -0.16 0.00 -0.04 0.00 0.00 63.50 64.37 2dfs n PRO 352 Cb 0.49 -2.81 0.06 0.00 -0.04 0.00 0.00 33.50 31.20 2dfs n PRO 352 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dfs n LYS 353 N 4.33 -1.99 -2.85 0.54 3.00 -1.26 -4.92 118.16 115.02 2dfs n LYS 353 Ca 0.17 0.88 -0.42 0.00 -0.00 0.00 0.00 58.31 58.94 2dfs n LYS 353 Cb 0.34 -5.55 -0.04 0.00 0.00 0.00 0.00 35.03 29.79 2dfs n LYS 353 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2dfs s HIS 354 N -3.35 3.20 0.20 5.64 5.65 -1.22 -4.95 115.29 120.46 2dfs s HIS 354 Ca 0.41 0.96 -0.10 0.00 0.25 0.00 0.00 55.06 56.58 2dfs s HIS 354 Cb -0.07 -3.34 0.25 0.00 -1.18 0.00 0.00 32.58 28.24 2dfs s HIS 354 CO 0.76 -0.61 1.77 -0.44 -0.65 0.00 0.00 174.74 175.57 2dfs h ASP 355 N 8.05 0.34 -0.58 9.88 3.32 -1.92 0.12 116.42 135.63 2dfs h ASP 355 Ca -0.23 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 2dfs h ASP 355 Cb 1.08 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2dfs h ASP 355 CO 0.93 0.22 0.21 1.55 -1.72 0.00 0.00 179.24 180.42 2dfs h PRO 356 N 0.50 0.88 -0.49 3.56 0.13 -1.88 -2.89 132.00 131.82 2dfs h PRO 356 Ca 0.29 -0.17 -0.12 0.00 -0.87 0.00 0.00 66.00 65.13 2dfs h PRO 356 Cb 0.29 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 2dfs h PRO 356 CO -0.24 0.77 -0.15 1.25 -0.23 0.00 0.00 178.00 179.40 2dfs h LEU 357 N 0.81 0.96 -0.50 1.56 5.85 -1.67 -1.70 115.31 120.62 2dfs h LEU 357 Ca 0.19 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2dfs h LEU 357 Cb 0.24 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2dfs h LEU 357 CO -0.01 1.11 0.33 0.74 -0.34 0.00 0.00 178.44 180.26 2dfs h THR 358 N 0.84 1.11 -0.40 1.05 2.02 -0.81 -0.89 112.91 115.84 2dfs h THR 358 Ca 0.12 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2dfs h THR 358 Cb 0.71 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2dfs h THR 358 CO 0.05 0.12 0.12 0.40 0.37 0.00 0.00 175.52 176.59 2dfs h ILE 359 N 0.66 1.22 -0.24 3.11 2.04 -1.45 -2.00 117.51 120.86 2dfs h ILE 359 Ca 0.19 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.37 2dfs h ILE 359 Cb -0.06 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2dfs h ILE 359 CO -0.05 0.25 0.00 0.15 0.00 0.00 0.00 178.15 178.50 2dfs h PHE 360 N 0.49 -0.00 -0.61 1.37 3.57 -0.82 -1.09 116.94 119.85 2dfs h PHE 360 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2dfs h PHE 360 Cb 0.27 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2dfs h PHE 360 CO 0.01 -0.03 0.12 0.00 -2.23 0.00 0.00 178.31 176.18 2dfs h ASP 362 N 0.90 0.11 -0.65 0.00 1.82 -1.16 0.87 116.42 118.33 2dfs h ASP 362 Ca 0.19 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.82 2dfs h ASP 362 Cb 0.40 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 2dfs h ASP 362 CO 0.01 0.10 0.20 -0.07 -1.61 0.00 0.00 179.24 177.87 2dfs h LEU 363 N 0.26 0.95 0.00 2.28 3.38 -1.00 -3.16 115.31 118.02 2dfs h LEU 363 Ca 0.16 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2dfs h LEU 363 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2dfs h LEU 363 CO -0.17 0.91 -0.97 0.24 0.09 0.00 0.00 178.44 178.54 2dfs h MET 364 N 0.94 0.00 0.00 1.13 2.86 -1.34 -3.48 114.93 115.04 2dfs h MET 364 Ca 0.21 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2dfs h MET 364 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2dfs h MET 364 CO -0.01 0.60 0.00 0.41 1.06 0.00 0.00 176.91 178.97 2dfs n GLY 365 N 1.33 0.75 3.99 8.32 0.00 0.29 -4.67 105.19 115.19 2dfs n GLY 365 Ca -0.03 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 2dfs n GLY 365 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dfs s VAL 366 N -2.00 3.49 0.53 1.61 -7.23 -1.15 -4.41 120.40 111.24 2dfs s VAL 366 Ca 0.00 -1.02 -0.21 0.00 -1.81 0.00 0.00 61.98 58.93 2dfs s VAL 366 Cb 0.00 -3.19 -0.05 0.00 0.56 0.00 0.00 36.38 33.70 2dfs s VAL 366 CO 0.00 -0.08 1.25 -0.62 -0.31 0.00 0.00 175.10 175.34 2dfs s ASP 367 N -4.25 5.56 -0.03 4.85 2.15 -1.26 -4.73 116.67 118.96 2dfs s ASP 367 Ca 0.50 2.50 -0.24 0.00 0.43 0.00 0.00 52.55 55.73 2dfs s ASP 367 Cb -0.09 -2.61 -0.21 0.00 -0.30 0.00 0.00 42.92 39.71 2dfs s ASP 367 CO 0.32 -1.35 1.16 0.22 -0.17 0.00 0.00 175.17 175.35 2dfs h TYR 368 N 1.50 0.18 -0.04 -5.34 3.20 -1.97 -3.27 116.97 111.24 2dfs h TYR 368 Ca -0.50 -0.07 -0.23 0.00 3.14 0.00 0.00 58.73 61.06 2dfs h TYR 368 Cb 1.28 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.53 2dfs h TYR 368 CO 0.49 0.74 -0.92 0.93 -1.64 0.00 0.00 178.16 177.76 2dfs h GLU 369 N -0.43 0.58 -0.56 1.82 4.39 -1.98 -0.77 114.58 117.63 2dfs h GLU 369 Ca -0.00 -0.57 0.06 0.00 0.34 0.00 0.00 59.36 59.18 2dfs h GLU 369 Cb 0.74 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 2dfs h GLU 369 CO 0.02 1.19 0.27 1.49 -1.16 0.00 0.00 179.01 180.82 2dfs h GLU 370 N 0.35 0.49 -0.28 2.33 4.81 -1.99 -1.03 114.58 119.27 2dfs h GLU 370 Ca -0.08 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.03 2dfs h GLU 370 Cb 1.55 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 2dfs h GLU 370 CO 0.17 0.32 -0.17 1.98 -0.73 0.00 0.00 179.01 180.58 2dfs h MET 371 N 0.51 0.61 -0.88 1.92 4.05 -1.57 -2.85 114.93 116.71 2dfs h MET 371 Ca 0.26 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2dfs h MET 371 Cb 0.21 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 2dfs h MET 371 CO -0.20 0.87 0.56 0.00 0.23 0.00 0.00 176.91 178.37 2dfs h ALA 372 N 0.73 1.12 -0.19 0.39 0.00 -0.96 -0.99 119.26 119.36 2dfs h ALA 372 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dfs h ALA 372 Cb 0.70 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2dfs h ALA 372 CO 0.05 0.54 0.01 1.25 0.00 0.00 0.00 179.25 181.10 2dfs h HIS 373 N 1.20 0.01 -0.01 0.00 6.17 -1.24 -3.21 115.15 118.08 2dfs h HIS 373 Ca 0.32 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.41 2dfs h HIS 373 Cb -0.11 0.02 0.00 0.00 2.52 0.00 0.00 27.41 29.85 2dfs h HIS 373 CO -0.01 -0.02 -0.14 0.91 0.71 0.00 0.00 177.93 179.39 2dfs n TRP 374 N -5.12 0.00 0.05 5.26 5.03 -0.86 -2.10 117.44 119.71 2dfs n TRP 374 Ca -0.03 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.49 2dfs n TRP 374 Cb 0.10 -0.12 0.25 0.00 -1.03 0.00 0.00 31.31 30.51 2dfs n TRP 374 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2dfs h LEU 375 N 1.12 0.37 -1.29 -0.99 3.38 -1.20 -3.36 115.31 113.34 2dfs h LEU 375 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dfs h LEU 375 Cb 0.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dfs h LEU 375 CO 0.00 0.63 -0.03 0.00 0.09 0.00 0.00 178.44 179.13 2dfs s HIS 377 N -0.89 1.02 -0.10 0.00 3.76 -0.89 -2.28 115.29 115.91 2dfs s HIS 377 Ca 0.11 -0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 54.05 2dfs s HIS 377 Cb 0.08 -0.57 0.03 0.00 1.11 0.00 0.00 32.58 33.23 2dfs s HIS 377 CO 0.14 -0.10 0.27 0.50 -0.85 0.00 0.00 174.74 174.70 2dfs s ARG 378 N -3.82 0.30 0.25 1.40 3.52 -1.04 -4.74 118.95 114.82 2dfs s ARG 378 Ca 0.14 0.41 -0.31 0.00 -0.13 0.00 0.00 55.73 55.85 2dfs s ARG 378 Cb 0.05 0.10 -0.11 0.00 -1.56 0.00 0.00 34.95 33.43 2dfs s ARG 378 CO -0.02 -0.06 1.62 0.15 -0.81 0.00 0.00 175.30 176.17 2dfs s LYS 379 N 0.36 4.14 -0.22 5.12 1.02 -1.26 -1.52 119.74 127.37 2dfs s LYS 379 Ca -0.02 2.55 0.00 0.00 0.02 0.00 0.00 55.97 58.52 2dfs s LYS 379 Cb -0.03 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 34.25 2dfs s LYS 379 CO -0.01 -0.65 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.47 2dfs s LEU 380 N 0.13 2.81 -0.06 3.17 0.20 -0.47 -4.92 118.68 119.54 2dfs s LEU 380 Ca 0.67 -0.87 0.03 0.00 0.69 0.00 0.00 54.13 54.64 2dfs s LEU 380 Cb -0.48 -1.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 2dfs s LEU 380 CO 0.42 -0.09 -0.14 0.00 -0.29 0.00 0.00 176.35 176.25 2dfs s ALA 381 N 1.27 1.39 -0.45 5.97 0.00 -1.26 -1.42 121.76 127.26 2dfs s ALA 381 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.47 2dfs s ALA 381 Cb -0.16 -0.56 0.12 0.00 0.00 0.00 0.00 23.12 22.53 2dfs s ALA 381 CO -0.08 0.17 0.20 0.99 0.00 0.00 0.00 175.76 177.04 2dfs s THR 386 N 0.45 2.07 -0.00 0.00 2.01 -1.26 -5.27 115.64 113.63 2dfs s THR 386 Ca -0.12 -2.77 0.07 0.00 0.31 0.00 0.00 61.69 59.19 2dfs s THR 386 Cb -0.14 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 2dfs s THR 386 CO 0.04 -0.78 -0.22 -0.47 -0.69 0.00 0.00 174.62 172.50 2dfs s TYR 387 N 0.27 1.98 -0.21 4.92 5.04 -0.51 -5.12 117.35 123.71 2dfs s TYR 387 Ca 0.15 -0.38 -0.19 0.00 -2.44 0.00 0.00 57.07 54.22 2dfs s TYR 387 Cb -0.24 -1.25 -0.03 0.00 0.35 0.00 0.00 41.96 40.79 2dfs s TYR 387 CO -0.04 -0.00 0.56 0.42 -1.34 0.00 0.00 175.55 175.15 2dfs s ILE 388 N -0.58 5.07 -0.10 3.14 1.01 -1.26 -1.36 121.20 127.11 2dfs s ILE 388 Ca 0.09 1.02 0.01 0.00 0.00 0.00 0.00 60.65 61.76 2dfs s ILE 388 Cb -0.09 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.53 2dfs s ILE 388 CO -0.00 0.13 -0.11 -0.75 0.00 0.00 0.00 174.94 174.21 2dfs s LYS 389 N 1.88 1.75 0.34 2.79 2.36 -0.58 -4.96 119.74 123.32 2dfs s LYS 389 Ca 0.25 -0.38 -0.24 0.00 -2.55 0.00 0.00 55.97 53.05 2dfs s LYS 389 Cb -0.16 -1.62 -0.15 0.00 -1.05 0.00 0.00 37.83 34.86 2dfs s LYS 389 CO 0.10 -0.14 0.46 -2.30 1.55 0.00 0.00 175.35 175.02 2dfs n PRO 390 N 4.45 0.33 -4.18 4.03 -0.01 -1.26 -2.51 135.00 135.84 2dfs n PRO 390 Ca -0.17 0.12 -0.27 0.00 -0.01 0.00 0.00 63.50 63.16 2dfs n PRO 390 Cb 0.51 -1.25 -0.08 0.00 -0.01 0.00 0.00 33.50 32.67 2dfs n PRO 390 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 175.50 176.45 2dfs s ILE 391 N -1.34 3.80 0.91 4.25 -4.36 -0.96 -4.90 121.20 118.59 2dfs s ILE 391 Ca 0.62 -1.32 -0.10 0.00 -0.26 0.00 0.00 60.65 59.59 2dfs s ILE 391 Cb -0.72 -2.89 0.14 0.00 1.25 0.00 0.00 42.46 40.24 2dfs s ILE 391 CO 0.59 -0.06 1.13 -0.94 0.24 0.00 0.00 174.94 175.90 2dfs s SER 392 N -2.80 3.02 0.19 4.36 1.04 -1.20 -3.47 113.70 114.84 2dfs s SER 392 Ca 0.27 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.64 2dfs s SER 392 Cb -0.10 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.70 2dfs s SER 392 CO 0.19 -3.02 1.78 0.50 0.98 0.00 0.00 173.24 173.67 2dfs h LYS 393 N -1.81 0.50 -0.76 4.02 3.64 -1.85 -2.23 116.57 118.08 2dfs h LYS 393 Ca -0.45 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2dfs h LYS 393 Cb 1.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2dfs h LYS 393 CO 0.44 0.33 0.33 -0.07 -2.27 0.00 0.00 179.45 178.21 2dfs h LEU 394 N 0.52 1.01 -1.17 5.20 3.38 -1.98 -2.68 115.31 119.58 2dfs h LEU 394 Ca 0.26 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2dfs h LEU 394 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2dfs h LEU 394 CO -0.20 0.88 -0.16 0.45 0.09 0.00 0.00 178.44 179.51 2dfs h HIS 395 N 1.09 0.42 -0.39 1.13 3.86 -1.81 -1.61 115.15 117.83 2dfs h HIS 395 Ca 0.26 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2dfs h HIS 395 Cb 0.17 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2dfs h HIS 395 CO 0.02 0.53 0.07 0.00 0.86 0.00 0.00 177.93 179.40 2dfs h ALA 396 N 1.48 0.51 -0.29 2.45 0.00 -1.19 -2.58 119.26 119.65 2dfs h ALA 396 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2dfs h ALA 396 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dfs h ALA 396 CO 0.03 0.22 0.14 0.82 0.00 0.00 0.00 179.25 180.46 2dfs h ILE 397 N 0.49 1.15 -0.90 0.00 2.04 -1.28 -0.47 117.51 118.54 2dfs h ILE 397 Ca 0.12 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2dfs h ILE 397 Cb 0.36 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2dfs h ILE 397 CO 0.01 0.16 0.59 0.78 0.00 0.00 0.00 178.15 179.69 2dfs h ASN 398 N 0.33 1.00 -0.47 1.72 -0.26 -1.36 -1.86 115.58 114.69 2dfs h ASN 398 Ca 0.10 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.69 2dfs h ASN 398 Cb 0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2dfs h ASN 398 CO -0.01 0.71 -0.21 0.00 -1.06 0.00 0.00 177.43 176.85 2dfs h ALA 399 N 1.46 0.66 -0.42 -0.83 0.00 -1.22 -1.45 119.26 117.46 2dfs h ALA 399 Ca 0.34 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2dfs h ALA 399 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2dfs h ALA 399 CO -0.09 0.64 0.19 -0.09 0.00 0.00 0.00 179.25 179.90 2dfs h ARG 400 N 0.82 0.37 -0.61 0.00 2.43 -0.72 -0.75 114.38 115.91 2dfs h ARG 400 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2dfs h ARG 400 Cb 0.79 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2dfs h ARG 400 CO 0.07 0.24 0.02 -0.44 -1.51 0.00 0.00 179.97 178.35 2dfs h ASP 401 N 0.38 1.04 -0.80 -3.80 3.32 -1.37 -1.12 116.42 114.07 2dfs h ASP 401 Ca 0.19 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.97 2dfs h ASP 401 Cb 0.13 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 2dfs h ASP 401 CO -0.16 1.08 0.53 0.00 -1.72 0.00 0.00 179.24 178.97 2dfs h ALA 402 N 1.03 1.02 -0.29 3.45 0.00 -0.93 -0.58 119.26 122.96 2dfs h ALA 402 Ca 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2dfs h ALA 402 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dfs h ALA 402 CO 0.03 0.40 0.06 1.25 0.00 0.00 0.00 179.25 180.99 2dfs h LEU 403 N 1.06 0.44 -0.51 0.00 5.85 -0.91 -0.04 115.31 121.21 2dfs h LEU 403 Ca 0.30 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2dfs h LEU 403 Cb -0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2dfs h LEU 403 CO -0.08 0.57 0.32 0.00 -0.34 0.00 0.00 178.44 178.91 2dfs h ALA 404 N 0.89 0.66 -0.77 1.25 0.00 -1.01 -0.57 119.26 119.71 2dfs h ALA 404 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2dfs h ALA 404 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2dfs h ALA 404 CO 0.00 0.04 0.29 0.87 0.00 0.00 0.00 179.25 180.45 2dfs h LYS 405 N 0.64 1.16 -0.16 0.00 1.57 -1.12 -2.36 116.57 116.29 2dfs h LYS 405 Ca 0.20 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2dfs h LYS 405 Cb -0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2dfs h LYS 405 CO -0.08 0.96 0.07 1.25 -0.57 0.00 0.00 179.45 181.08 2dfs h HIS 406 N 1.13 0.24 -0.60 -1.35 2.76 -0.53 -2.46 115.15 114.34 2dfs h HIS 406 Ca 0.26 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2dfs h HIS 406 Cb 0.24 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2dfs h HIS 406 CO 0.02 0.28 0.28 0.82 -1.30 0.00 0.00 177.93 178.03 2dfs h ILE 407 N 0.12 1.22 -0.59 6.26 2.04 -1.07 -2.40 117.51 123.08 2dfs h ILE 407 Ca 0.06 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 2dfs h ILE 407 Cb 0.14 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2dfs h ILE 407 CO -0.01 0.25 0.36 0.22 0.00 0.00 0.00 178.15 178.97 2dfs h TYR 408 N 0.82 0.79 -0.59 1.37 3.20 -1.46 -0.50 116.97 120.59 2dfs h TYR 408 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2dfs h TYR 408 Cb 0.14 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2dfs h TYR 408 CO 0.00 0.54 0.39 0.00 -1.64 0.00 0.00 178.16 177.45 2dfs h ALA 409 N 1.18 0.75 -0.39 1.82 0.00 -1.17 0.27 119.26 121.71 2dfs h ALA 409 Ca 0.21 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2dfs h ALA 409 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2dfs h ALA 409 CO -0.04 0.19 -0.37 -0.91 0.00 0.00 0.00 179.25 178.12 2dfs h ASN 410 N 0.80 1.00 -0.77 0.00 4.21 -1.31 -1.76 115.58 117.75 2dfs h ASN 410 Ca 0.22 -0.45 -0.05 0.00 1.21 0.00 0.00 56.30 57.22 2dfs h ASN 410 Cb -0.08 -0.28 -0.03 0.00 -1.12 0.00 0.00 38.32 36.80 2dfs h ASN 410 CO -0.05 1.25 0.29 0.25 -1.29 0.00 0.00 177.43 177.88 2dfs h LEU 411 N 0.77 1.08 -0.40 1.61 5.85 -0.91 -0.80 115.31 122.52 2dfs h LEU 411 Ca 0.07 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.62 2dfs h LEU 411 Cb 0.96 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2dfs h LEU 411 CO 0.09 0.98 0.22 0.15 -0.34 0.00 0.00 178.44 179.54 2dfs h PHE 412 N 1.13 0.40 -0.50 1.25 3.57 -0.91 -1.95 116.94 119.93 2dfs h PHE 412 Ca 0.25 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2dfs h PHE 412 Cb 0.25 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2dfs h PHE 412 CO 0.02 0.22 0.31 -0.91 -2.23 0.00 0.00 178.31 175.72 2dfs h ASN 413 N 0.44 0.60 -0.83 0.41 4.21 -1.14 -2.69 115.58 116.58 2dfs h ASN 413 Ca 0.16 -0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.63 2dfs h ASN 413 Cb 0.04 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.05 2dfs h ASN 413 CO -0.10 0.48 0.55 -0.25 -1.29 0.00 0.00 177.43 176.82 2dfs h TRP 414 N 0.67 1.04 -0.51 1.19 7.01 -0.85 0.02 115.95 124.53 2dfs h TRP 414 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 2dfs h TRP 414 Cb -0.02 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 26.67 2dfs h TRP 414 CO -0.03 0.65 0.26 0.82 -2.79 0.00 0.00 178.44 177.35 2dfs h ILE 415 N 1.12 1.19 -0.57 2.65 2.04 -1.33 -1.73 117.51 120.88 2dfs h ILE 415 Ca 0.30 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2dfs h ILE 415 Cb -0.13 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 2dfs h ILE 415 CO -0.07 0.21 0.33 0.58 0.00 0.00 0.00 178.15 179.20 2dfs h VAL 416 N 0.67 1.18 -0.37 1.67 2.07 -1.03 0.87 116.25 121.31 2dfs h VAL 416 Ca 0.18 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2dfs h VAL 416 Cb 0.09 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2dfs h VAL 416 CO -0.02 0.19 0.18 0.44 0.02 0.00 0.00 177.57 178.38 2dfs h ASP 417 N 0.77 0.27 0.44 0.57 3.32 -0.89 -0.91 116.42 119.99 2dfs h ASP 417 Ca 0.20 0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.10 2dfs h ASP 417 Cb 0.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2dfs h ASP 417 CO -0.04 0.20 -0.72 0.45 -1.72 0.00 0.00 179.24 177.42 2dfs h HIS 418 N 0.38 0.31 -0.96 4.55 3.86 -1.09 -2.61 115.15 119.59 2dfs h HIS 418 Ca 0.16 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2dfs h HIS 418 Cb 0.07 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.44 2dfs h HIS 418 CO -0.10 0.87 0.64 0.28 0.86 0.00 0.00 177.93 180.47 2dfs h VAL 419 N 0.16 1.24 -0.70 2.45 2.07 -0.73 -2.39 116.25 118.34 2dfs h VAL 419 Ca -0.02 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.12 2dfs h VAL 419 Cb 1.27 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2dfs h VAL 419 CO 0.11 0.24 0.46 0.78 0.02 0.00 0.00 177.57 179.18 2dfs h ASN 420 N 1.29 0.63 0.95 0.57 2.35 -0.97 -2.68 115.58 117.73 2dfs h ASN 420 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2dfs h ASN 420 Cb -0.14 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.10 2dfs h ASN 420 CO -0.08 0.41 0.00 0.11 -1.65 0.00 0.00 177.43 176.22 2dfs h LYS 421 N 0.72 0.00 0.00 0.81 1.57 -1.05 0.10 116.57 118.72 2dfs h LYS 421 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2dfs h LYS 421 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2dfs h LYS 421 CO -0.10 0.00 -0.39 0.00 -0.57 0.00 0.00 179.45 178.39 2dfs n ALA 422 N -2.08 3.06 0.25 3.86 0.00 -1.02 -4.23 120.51 120.35 2dfs n ALA 422 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.22 2dfs n ALA 422 Cb 0.29 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2dfs n ALA 422 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2dfs n LEU 423 N -1.68 0.25 -4.73 0.00 7.94 -0.32 -5.02 117.00 113.43 2dfs n LEU 423 Ca 0.05 -0.40 -0.36 0.00 -1.11 0.00 0.00 56.01 54.19 2dfs n LEU 423 Cb 0.37 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.39 2dfs n LEU 423 CO 0.33 0.06 0.87 -1.00 -1.11 0.00 0.00 177.39 176.54 2dfs s HIS 424 N -1.80 2.11 0.14 1.96 3.76 0.20 -1.42 115.29 120.25 2dfs s HIS 424 Ca 0.01 1.52 0.09 0.00 -0.15 0.00 0.00 55.06 56.53 2dfs s HIS 424 Cb 0.05 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 30.09 2dfs s HIS 424 CO 0.27 -2.74 -0.14 0.45 -0.85 0.00 0.00 174.74 171.73 2dfs s SER 425 N -1.59 4.08 0.11 1.40 0.15 -1.26 -4.89 113.70 111.70 2dfs s SER 425 Ca 0.80 -0.55 0.24 0.00 0.70 0.00 0.00 55.95 57.14 2dfs s SER 425 Cb -0.34 -0.64 0.41 0.00 -1.71 0.00 0.00 66.02 63.73 2dfs s SER 425 CO 0.40 0.15 1.37 0.35 1.20 0.00 0.00 173.24 176.71 2dfs n THR 426 N 0.50 0.32 -2.87 6.45 -2.24 -1.26 -4.85 114.28 110.32 2dfs n THR 426 Ca -0.13 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 2dfs n THR 426 Cb 0.54 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 2dfs n THR 426 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2dfs s VAL 427 N -3.14 4.23 -0.11 2.28 1.01 -1.26 -5.02 120.40 118.38 2dfs s VAL 427 Ca 0.07 1.88 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 2dfs s VAL 427 Cb 0.14 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2dfs s VAL 427 CO 0.71 0.51 1.32 -0.75 0.00 0.00 0.00 175.10 176.89 2dfs s LYS 428 N -1.17 4.25 0.45 2.72 2.20 -1.26 -5.02 119.74 121.91 2dfs s LYS 428 Ca 0.38 1.77 -0.25 0.00 -0.36 0.00 0.00 55.97 57.51 2dfs s LYS 428 Cb -0.24 -3.74 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 2dfs s LYS 428 CO 0.29 -0.67 1.40 -1.14 -0.36 0.00 0.00 175.35 174.87 2dfs s GLN 429 N 3.25 3.70 -0.19 4.03 0.74 -1.26 -4.62 119.66 125.30 2dfs s GLN 429 Ca 0.58 2.36 -0.17 0.00 0.05 0.00 0.00 55.36 58.19 2dfs s GLN 429 Cb -0.25 -2.65 -0.07 0.00 1.10 0.00 0.00 33.01 31.15 2dfs s GLN 429 CO 0.19 -0.79 -0.34 1.58 -0.55 0.00 0.00 175.29 175.38 2dfs n HIS 430 N -0.20 0.04 -4.15 1.67 -0.00 0.10 -4.94 115.22 107.74 2dfs n HIS 430 Ca 0.05 0.02 -0.11 0.00 -0.00 0.00 0.00 57.72 57.68 2dfs n HIS 430 Cb 0.42 -0.58 -0.09 0.00 -0.00 0.00 0.00 29.99 29.74 2dfs n HIS 430 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2dfs s SER 431 N -6.12 0.11 0.06 0.26 0.01 -0.65 -5.00 113.70 102.36 2dfs s SER 431 Ca -0.30 -1.28 -0.03 0.00 1.31 0.00 0.00 55.95 55.65 2dfs s SER 431 Cb 0.05 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.67 2dfs s SER 431 CO 0.43 -0.90 0.03 0.72 0.41 0.00 0.00 173.24 173.93 2dfs s PHE 432 N -4.12 0.42 -0.17 2.43 -0.12 -1.26 -0.25 117.98 114.90 2dfs s PHE 432 Ca 0.35 -0.93 0.01 0.00 -0.05 0.00 0.00 56.93 56.30 2dfs s PHE 432 Cb 0.05 -0.30 0.03 0.00 -0.63 0.00 0.00 43.02 42.17 2dfs s PHE 432 CO 0.11 -0.42 -0.14 0.42 -0.05 0.00 0.00 175.22 175.13 2dfs s ILE 433 N -3.88 1.72 -0.01 -4.49 1.01 -0.52 -1.57 121.20 113.45 2dfs s ILE 433 Ca 0.06 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 2dfs s ILE 433 Cb 0.07 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2dfs s ILE 433 CO -0.10 0.39 0.20 -0.83 0.00 0.00 0.00 174.94 174.59 2dfs s GLY 434 N 1.41 2.19 -0.20 6.18 0.00 0.65 -0.21 107.32 117.33 2dfs s GLY 434 Ca 0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 44.01 2dfs s GLY 434 CO -0.10 -0.59 -0.09 0.14 0.00 0.00 0.00 173.10 172.46 2dfs s VAL 435 N -1.31 2.99 -0.32 1.40 1.01 0.22 0.15 120.40 124.54 2dfs s VAL 435 Ca 0.27 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2dfs s VAL 435 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2dfs s VAL 435 CO 0.17 0.46 0.26 -0.22 0.00 0.00 0.00 175.10 175.77 2dfs s LEU 436 N 1.37 4.33 -0.35 3.92 2.96 0.60 -1.44 118.68 130.06 2dfs s LEU 436 Ca 0.05 -0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 53.60 2dfs s LEU 436 Cb -0.14 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 2dfs s LEU 436 CO -0.05 -0.20 0.25 -0.62 -1.32 0.00 0.00 176.35 174.41 2dfs s ASP 437 N 1.73 6.07 -0.01 3.68 3.68 0.13 -0.77 116.67 131.17 2dfs s ASP 437 Ca 0.08 -0.52 -0.14 0.00 2.13 0.00 0.00 52.55 54.09 2dfs s ASP 437 Cb -0.17 -2.14 0.02 0.00 -1.45 0.00 0.00 42.92 39.18 2dfs s ASP 437 CO 0.11 -0.28 0.30 -0.51 0.13 0.00 0.00 175.17 174.91 2dfs s ILE 438 N 1.71 0.06 1.30 4.11 2.07 -1.07 -1.48 121.20 127.91 2dfs s ILE 438 Ca 0.06 -0.49 -0.20 0.00 -1.41 0.00 0.00 60.65 58.61 2dfs s ILE 438 Cb -0.18 -0.60 0.31 0.00 0.13 0.00 0.00 42.46 42.12 2dfs s ILE 438 CO 0.10 -0.27 0.70 0.00 -1.91 0.00 0.00 174.94 173.56 2dfs n TYR 439 N 1.29 -3.24 -2.91 3.50 4.11 -1.26 -3.80 117.16 114.85 2dfs n TYR 439 Ca -0.22 -0.51 0.00 0.00 -0.00 0.00 0.00 57.90 57.17 2dfs n TYR 439 Cb 0.56 -1.36 0.00 0.00 -0.00 0.00 0.00 39.34 38.54 2dfs n TYR 439 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2dfs n GLY 440 N 2.08 7.39 3.72 -7.48 0.00 -1.24 -4.17 105.19 105.49 2dfs n GLY 440 Ca 0.11 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2dfs n GLY 440 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dfs s PHE 441 N 0.91 3.15 -0.27 1.61 0.08 -0.75 -4.76 117.98 117.95 2dfs s PHE 441 Ca 0.00 0.81 -0.04 0.00 0.12 0.00 0.00 56.93 57.82 2dfs s PHE 441 Cb 0.00 -3.78 0.01 0.00 -0.57 0.00 0.00 43.02 38.68 2dfs s PHE 441 CO 0.00 -2.82 0.01 -2.00 -0.10 0.00 0.00 175.22 170.31 2dfs s GLU 442 N 1.18 3.01 -0.11 0.44 2.12 -1.26 -4.88 118.70 119.20 2dfs s GLU 442 Ca 0.67 -0.89 -0.01 0.00 0.36 0.00 0.00 54.97 55.10 2dfs s GLU 442 Cb -0.39 -3.17 0.03 0.00 0.26 0.00 0.00 34.13 30.85 2dfs s GLU 442 CO 0.31 -0.40 -0.04 0.99 -0.54 0.00 0.00 175.26 175.58 2dfs s THR 443 N 1.42 0.76 0.35 -1.70 2.01 -1.26 -4.85 115.64 112.37 2dfs s THR 443 Ca 0.02 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2dfs s THR 443 Cb -0.17 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.49 2dfs s THR 443 CO -0.01 0.27 0.17 0.49 -0.69 0.00 0.00 174.62 174.85 2dfs n PHE 444 N 5.02 -0.26 0.13 4.92 3.72 -1.26 -5.05 117.46 124.68 2dfs n PHE 444 Ca -0.10 -1.58 -0.00 0.00 -0.05 0.00 0.00 57.45 55.71 2dfs n PHE 444 Cb 0.50 -0.27 0.09 0.00 -0.94 0.00 0.00 39.48 38.86 2dfs n PHE 444 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2dfs h GLU 445 N 0.00 0.00 -4.83 -1.08 9.09 -2.00 -3.40 114.58 112.36 2dfs h GLU 445 Ca -0.25 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.50 2dfs h GLU 445 Cb 0.84 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 27.58 2dfs h GLU 445 CO 0.40 0.63 -0.82 0.42 0.05 0.00 0.00 179.01 179.70 2dfs s ILE 446 N -3.17 2.00 -0.12 -1.06 -1.09 -1.26 -5.07 121.20 111.44 2dfs s ILE 446 Ca 0.01 -1.32 -0.02 0.00 -2.23 0.00 0.00 60.65 57.08 2dfs s ILE 446 Cb 0.10 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 2dfs s ILE 446 CO 0.75 0.14 -0.02 0.20 -1.23 0.00 0.00 174.94 174.79 2dfs s ASN 447 N 1.22 4.98 0.00 3.58 0.01 -1.26 -5.01 114.94 118.47 2dfs s ASN 447 Ca -0.04 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.11 2dfs s ASN 447 Cb -0.17 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.91 2dfs s ASN 447 CO -0.08 0.28 0.00 -0.24 -1.51 0.00 0.00 177.10 175.55 2dfs n SER 448 N 2.80 0.99 -0.30 -1.22 2.88 -1.26 -0.71 113.62 116.80 2dfs n SER 448 Ca -0.18 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.33 2dfs n SER 448 Cb 0.53 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.07 2dfs n SER 448 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2dfs h PHE 449 N 0.00 1.01 -0.31 0.66 3.57 -1.92 -2.10 116.94 117.85 2dfs h PHE 449 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2dfs h PHE 449 Cb 0.00 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 2dfs h PHE 449 CO 0.00 0.62 0.15 0.93 -2.23 0.00 0.00 178.31 177.78 2dfs h GLU 450 N 1.08 0.31 -0.64 1.11 3.07 -1.99 -1.14 114.58 116.36 2dfs h GLU 450 Ca 0.31 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.10 2dfs h GLU 450 Cb -0.08 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.73 2dfs h GLU 450 CO -0.08 0.20 0.20 1.96 -1.40 0.00 0.00 179.01 179.89 2dfs h GLN 451 N 0.31 1.00 -0.58 2.33 7.50 -1.85 -2.23 115.11 121.59 2dfs h GLN 451 Ca 0.13 -0.22 0.03 0.00 0.50 0.00 0.00 58.65 59.09 2dfs h GLN 451 Cb 0.04 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 2dfs h GLN 451 CO -0.09 0.88 0.35 0.35 -1.50 0.00 0.00 178.83 178.83 2dfs h PHE 452 N 0.93 0.66 -0.48 2.96 3.57 -1.02 -0.99 116.94 122.57 2dfs h PHE 452 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 2dfs h PHE 452 Cb 0.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2dfs h PHE 452 CO 0.02 0.38 0.15 0.00 -2.23 0.00 0.00 178.31 176.63 2dfs h ILE 454 N 0.64 1.07 -0.33 0.00 2.04 -1.08 -2.03 117.51 117.82 2dfs h ILE 454 Ca 0.15 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 2dfs h ILE 454 Cb 0.27 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2dfs h ILE 454 CO -0.01 0.07 -0.22 0.78 0.00 0.00 0.00 178.15 178.77 2dfs h ASN 455 N 0.24 0.64 -0.64 1.72 2.35 -1.16 -1.98 115.58 116.74 2dfs h ASN 455 Ca 0.07 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2dfs h ASN 455 Cb 0.01 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.16 2dfs h ASN 455 CO -0.01 0.85 0.38 0.22 -1.65 0.00 0.00 177.43 177.22 2dfs h TYR 456 N 0.56 0.71 -0.70 1.19 3.20 -1.13 -1.11 116.97 119.69 2dfs h TYR 456 Ca 0.08 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2dfs h TYR 456 Cb 0.68 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2dfs h TYR 456 CO 0.03 0.38 0.29 0.00 -1.64 0.00 0.00 178.16 177.22 2dfs h ALA 457 N 1.30 0.91 -0.91 1.82 0.00 -1.09 -2.90 119.26 118.39 2dfs h ALA 457 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dfs h ALA 457 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2dfs h ALA 457 CO -0.13 0.52 0.51 -0.91 0.00 0.00 0.00 179.25 179.25 2dfs h ASN 458 N 1.00 1.12 -0.86 0.00 2.35 -1.04 -2.09 115.58 116.06 2dfs h ASN 458 Ca 0.24 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2dfs h ASN 458 Cb 0.19 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 2dfs h ASN 458 CO -0.02 0.89 0.56 -0.33 -1.65 0.00 0.00 177.43 176.87 2dfs h GLU 459 N 1.27 1.08 -0.52 0.81 4.39 -1.11 0.50 114.58 120.99 2dfs h GLU 459 Ca 0.32 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2dfs h GLU 459 Cb 0.00 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2dfs h GLU 459 CO -0.05 0.71 0.27 0.87 -1.16 0.00 0.00 179.01 179.65 2dfs h LYS 460 N 1.11 0.73 -0.37 2.33 1.79 -1.29 -2.08 116.57 118.79 2dfs h LYS 460 Ca 0.33 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.66 2dfs h LYS 460 Cb -0.05 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 2dfs h LYS 460 CO -0.10 0.58 0.02 -0.07 -1.08 0.00 0.00 179.45 178.81 2dfs h LEU 461 N 0.69 0.61 -1.18 2.94 3.38 -1.12 -3.03 115.31 117.60 2dfs h LEU 461 Ca 0.18 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2dfs h LEU 461 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2dfs h LEU 461 CO -0.03 0.75 0.11 -0.61 0.09 0.00 0.00 178.44 178.75 2dfs h GLN 462 N 0.45 0.68 -0.52 1.13 5.75 -0.89 -1.87 115.11 119.85 2dfs h GLN 462 Ca 0.11 -0.13 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2dfs h GLN 462 Cb 0.42 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 2dfs h GLN 462 CO 0.01 0.62 0.26 0.37 -2.65 0.00 0.00 178.83 177.45 2dfs h GLN 463 N 0.66 0.50 -0.67 1.69 4.15 -1.36 0.98 115.11 121.05 2dfs h GLN 463 Ca 0.15 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.49 2dfs h GLN 463 Cb 0.25 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2dfs h GLN 463 CO -0.00 0.33 0.24 0.37 -1.93 0.00 0.00 178.83 177.84 2dfs h GLN 464 N 0.51 1.03 -0.31 1.69 4.15 -1.33 -2.12 115.11 118.73 2dfs h GLN 464 Ca 0.23 -0.20 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2dfs h GLN 464 Cb 0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2dfs h GLN 464 CO -0.16 0.87 0.17 0.35 -1.93 0.00 0.00 178.83 178.14 2dfs h PHE 465 N 0.97 0.32 -0.53 3.99 3.57 -1.07 -0.56 116.94 123.63 2dfs h PHE 465 Ca 0.22 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 2dfs h PHE 465 Cb 0.25 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2dfs h PHE 465 CO 0.02 0.19 0.31 -0.91 -2.23 0.00 0.00 178.31 175.69 2dfs h ASN 466 N 0.36 0.49 -0.65 0.41 2.35 -0.61 -0.80 115.58 117.13 2dfs h ASN 466 Ca 0.12 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2dfs h ASN 466 Cb 0.01 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2dfs h ASN 466 CO -0.06 0.34 0.22 0.24 -1.65 0.00 0.00 177.43 176.52 2dfs h MET 467 N 0.61 0.99 -0.47 0.81 2.86 -1.26 -2.23 114.93 116.24 2dfs h MET 467 Ca 0.22 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2dfs h MET 467 Cb 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2dfs h MET 467 CO -0.11 0.86 0.18 1.25 1.06 0.00 0.00 176.91 180.14 2dfs h HIS 468 N 0.93 0.73 -0.60 -0.22 6.17 -0.60 -2.07 115.15 119.49 2dfs h HIS 468 Ca 0.21 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 2dfs h HIS 468 Cb 0.26 -0.22 -0.03 0.00 2.52 0.00 0.00 27.41 29.95 2dfs h HIS 468 CO 0.02 0.63 0.34 0.28 0.71 0.00 0.00 177.93 179.90 2dfs h VAL 469 N 0.62 1.19 -0.60 5.26 2.07 -1.15 -2.33 116.25 121.31 2dfs h VAL 469 Ca 0.16 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2dfs h VAL 469 Cb 0.22 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2dfs h VAL 469 CO -0.01 0.20 0.38 0.15 0.02 0.00 0.00 177.57 178.32 2dfs h PHE 470 N 0.81 0.73 -0.43 1.57 3.57 -1.25 -0.29 116.94 121.64 2dfs h PHE 470 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 2dfs h PHE 470 Cb 0.03 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2dfs h PHE 470 CO -0.01 0.44 0.21 -0.22 -2.23 0.00 0.00 178.31 176.49 2dfs h LYS 471 N 0.77 0.62 -0.69 1.11 1.63 -1.27 -2.23 116.57 116.51 2dfs h LYS 471 Ca 0.23 -0.09 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 2dfs h LYS 471 Cb -0.04 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 2dfs h LYS 471 CO -0.07 0.53 0.23 -0.07 -3.45 0.00 0.00 179.45 176.61 2dfs h LEU 472 N 0.56 0.99 -0.86 5.20 3.38 -1.11 -2.07 115.31 121.39 2dfs h LEU 472 Ca 0.15 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2dfs h LEU 472 Cb 0.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2dfs h LEU 472 CO -0.02 0.93 0.57 -0.33 0.09 0.00 0.00 178.44 179.68 2dfs h GLU 473 N 1.00 1.12 -0.59 1.13 4.39 -1.01 -1.33 114.58 119.29 2dfs h GLU 473 Ca 0.22 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.87 2dfs h GLU 473 Cb 0.28 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2dfs h GLU 473 CO -0.01 0.74 0.38 1.96 -1.16 0.00 0.00 179.01 180.92 2dfs h GLN 474 N 1.15 0.73 -0.48 2.33 4.20 -1.11 0.12 115.11 122.06 2dfs h GLN 474 Ca 0.32 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 2dfs h GLN 474 Cb -0.11 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.48 2dfs h GLN 474 CO -0.08 0.49 0.18 0.93 -0.67 0.00 0.00 178.83 179.68 2dfs h GLU 475 N 0.76 0.72 -0.51 1.46 5.08 -0.98 -0.90 114.58 120.22 2dfs h GLU 475 Ca 0.23 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2dfs h GLU 475 Cb -0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2dfs h GLU 475 CO -0.08 0.66 0.20 1.49 -1.00 0.00 0.00 179.01 180.29 2dfs h GLU 476 N 0.63 0.77 -0.65 2.33 4.57 -1.18 -1.77 114.58 119.28 2dfs h GLU 476 Ca 0.16 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2dfs h GLU 476 Cb 0.22 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2dfs h GLU 476 CO -0.01 0.68 0.39 1.88 -1.18 0.00 0.00 179.01 180.77 2dfs h TYR 477 N 0.69 0.73 -0.68 0.92 -1.99 -0.84 -2.81 116.97 112.99 2dfs h TYR 477 Ca 0.17 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.87 2dfs h TYR 477 Cb 0.20 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 2dfs h TYR 477 CO 0.01 0.41 0.24 0.52 -0.00 0.00 0.00 178.16 179.33 2dfs h MET 478 N 0.77 1.03 -0.45 4.88 2.86 -1.04 -1.98 114.93 121.00 2dfs h MET 478 Ca 0.26 -0.21 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2dfs h MET 478 Cb 0.05 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2dfs h MET 478 CO -0.12 0.88 0.30 -0.22 1.06 0.00 0.00 176.91 178.82 2dfs h LYS 479 N 0.97 0.27 -0.01 1.72 1.63 -1.07 -2.06 116.57 118.02 2dfs h LYS 479 Ca 0.22 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2dfs h LYS 479 Cb 0.26 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 2dfs h LYS 479 CO -0.01 0.18 -0.56 0.39 -3.45 0.00 0.00 179.45 176.00 2dfs n GLU 480 N -4.47 0.66 -2.94 1.90 -0.58 -1.09 -4.75 120.64 109.36 2dfs n GLU 480 Ca 0.06 -0.49 -0.11 0.00 -0.42 0.00 0.00 57.16 56.20 2dfs n GLU 480 Cb 0.32 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.74 2dfs n GLU 480 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2dfs n GLN 481 N -0.74 -3.93 -3.97 3.49 6.02 -0.78 -1.14 117.38 116.33 2dfs n GLN 481 Ca 0.08 0.44 -0.32 0.00 -0.01 0.00 0.00 57.00 57.19 2dfs n GLN 481 Cb 0.39 -4.29 -0.05 0.00 1.02 0.00 0.00 30.24 27.30 2dfs n GLN 481 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2dfs s ILE 482 N -3.18 5.16 0.00 5.09 1.01 -0.81 -4.94 121.20 123.54 2dfs s ILE 482 Ca 0.18 -0.36 -0.34 0.00 0.00 0.00 0.00 60.65 60.12 2dfs s ILE 482 Cb -0.08 -3.44 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 2dfs s ILE 482 CO 0.39 0.24 1.75 -0.81 0.00 0.00 0.00 174.94 176.51 2dfs n PRO 483 N 0.72 2.11 -0.09 2.79 -0.04 -1.26 -4.61 135.00 134.62 2dfs n PRO 483 Ca -0.09 0.77 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 2dfs n PRO 483 Cb 0.52 -2.58 0.36 0.00 -0.04 0.00 0.00 33.50 31.76 2dfs n PRO 483 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dfs n TRP 484 N 5.28 0.23 -0.69 0.54 2.14 -1.26 -3.61 117.44 120.07 2dfs n TRP 484 Ca 0.20 -0.12 0.09 0.00 2.07 0.00 0.00 57.50 59.75 2dfs n TRP 484 Cb 0.28 0.00 0.37 0.00 -0.81 0.00 0.00 31.31 31.15 2dfs n TRP 484 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 2dfs n THR 485 N 0.37 2.03 1.09 -1.67 -2.24 -1.26 -4.16 114.28 108.43 2dfs n THR 485 Ca 0.16 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.81 2dfs n THR 485 Cb 0.34 0.05 0.14 0.00 -2.10 0.00 0.00 70.33 68.75 2dfs n THR 485 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2dfs n LEU 486 N 1.03 1.89 -4.44 3.22 0.00 -1.24 -4.85 117.00 112.60 2dfs n LEU 486 Ca 0.26 -0.65 -0.44 0.00 0.00 0.00 0.00 56.01 55.18 2dfs n LEU 486 Cb 0.96 -0.03 -0.06 0.00 0.00 0.00 0.00 43.42 44.28 2dfs n LEU 486 CO 0.26 0.34 0.33 -0.63 0.00 0.00 0.00 177.39 177.69 2dfs s ILE 487 N -2.39 4.88 0.40 1.96 1.01 -1.26 -4.96 121.20 120.84 2dfs s ILE 487 Ca 0.22 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 2dfs s ILE 487 Cb 0.19 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.27 2dfs s ILE 487 CO 0.51 -0.81 1.38 -1.81 0.00 0.00 0.00 174.94 174.21 2dfs s ASP 488 N 2.70 6.27 -0.16 3.58 1.11 -1.26 -5.04 116.67 123.87 2dfs s ASP 488 Ca 0.15 2.83 -0.03 0.00 0.18 0.00 0.00 52.55 55.68 2dfs s ASP 488 Cb -0.19 -2.65 -0.02 0.00 1.07 0.00 0.00 42.92 41.13 2dfs s ASP 488 CO 0.12 -0.90 -0.07 0.12 1.18 0.00 0.00 175.17 175.62 2dfs s PHE 489 N -1.19 2.94 -0.71 4.23 5.36 -1.26 -5.06 117.98 122.28 2dfs s PHE 489 Ca 0.56 -0.55 -0.16 0.00 -0.96 0.00 0.00 56.93 55.82 2dfs s PHE 489 Cb -0.42 -1.95 0.17 0.00 -0.34 0.00 0.00 43.02 40.47 2dfs s PHE 489 CO 0.55 -0.20 0.71 0.71 -1.46 0.00 0.00 175.22 175.53 2dfs s TYR 490 N 0.60 3.43 0.39 10.12 2.02 -1.26 -5.05 117.35 127.60 2dfs s TYR 490 Ca -0.04 -1.56 -0.27 0.00 -0.37 0.00 0.00 57.07 54.82 2dfs s TYR 490 Cb -0.15 -3.89 -0.09 0.00 -0.40 0.00 0.00 41.96 37.43 2dfs s TYR 490 CO 0.03 -1.09 1.35 0.34 -1.57 0.00 0.00 175.55 174.60 2dfs s ASP 491 N 2.96 6.39 0.00 2.29 2.15 -1.26 -4.96 116.67 124.24 2dfs s ASP 491 Ca 0.14 2.76 0.00 0.00 0.43 0.00 0.00 52.55 55.87 2dfs s ASP 491 Cb -0.18 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2dfs s ASP 491 CO -0.03 -0.80 0.98 -0.46 -0.17 0.00 0.00 175.17 174.69 2dfs n ASN 492 N 0.33 1.94 -0.34 -0.34 6.94 -1.26 -4.81 115.26 117.72 2dfs n ASN 492 Ca 0.02 -1.97 0.07 0.00 -0.02 0.00 0.00 54.58 52.69 2dfs n ASN 492 Cb 0.42 0.00 0.26 0.00 -2.36 0.00 0.00 39.78 38.10 2dfs n ASN 492 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 2dfs h GLN 493 N 0.00 0.94 -0.13 -3.83 5.75 -1.96 -2.58 115.11 113.30 2dfs h GLN 493 Ca 0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2dfs h GLN 493 Cb 0.51 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2dfs h GLN 493 CO 0.00 0.62 0.06 -1.00 -2.65 0.00 0.00 178.83 175.86 2dfs h PRO 494 N 0.97 0.18 -0.20 -2.39 0.13 -1.99 0.18 132.00 128.87 2dfs h PRO 494 Ca 0.47 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.49 2dfs h PRO 494 Cb 0.45 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 2dfs h PRO 494 CO -0.23 0.15 -0.25 0.00 -0.23 0.00 0.00 178.00 177.44 2dfs h ILE 496 N 0.19 1.22 -0.64 0.00 2.04 -1.23 -2.43 117.51 116.66 2dfs h ILE 496 Ca 0.03 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2dfs h ILE 496 Cb 0.81 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2dfs h ILE 496 CO 0.06 0.22 0.20 0.78 0.00 0.00 0.00 178.15 179.41 2dfs h ASN 497 N 1.14 0.93 -0.98 1.72 -0.26 -1.00 0.09 115.58 117.22 2dfs h ASN 497 Ca 0.31 -0.21 0.05 0.00 -0.56 0.00 0.00 56.30 55.88 2dfs h ASN 497 Cb -0.11 -0.24 -0.06 0.00 -1.06 0.00 0.00 38.32 36.85 2dfs h ASN 497 CO -0.06 0.89 0.64 0.25 -1.06 0.00 0.00 177.43 178.09 2dfs h LEU 498 N 0.92 1.04 0.04 1.61 5.85 -0.97 -0.35 115.31 123.46 2dfs h LEU 498 Ca 0.21 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2dfs h LEU 498 Cb 0.29 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2dfs h LEU 498 CO -0.01 0.70 -0.02 0.40 -0.34 0.00 0.00 178.44 179.17 2dfs h ILE 499 N 1.20 1.33 -0.00 4.05 2.04 -1.29 -0.98 117.51 123.86 2dfs h ILE 499 Ca 0.40 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.95 2dfs h ILE 499 Cb 0.07 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2dfs h ILE 499 CO -0.14 0.33 -0.21 -1.84 0.00 0.00 0.00 178.15 176.29 2dfs n GLU 500 N -4.84 3.08 -1.67 2.37 0.28 0.00 -2.45 120.64 117.42 2dfs n GLU 500 Ca -0.09 -0.34 -0.30 0.00 -0.16 0.00 0.00 57.16 56.27 2dfs n GLU 500 Cb 0.29 -0.94 0.09 0.00 1.43 0.00 0.00 31.44 32.30 2dfs n GLU 500 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dfs s ALA 501 N -1.29 2.38 0.30 -1.84 0.00 -0.15 -4.90 121.76 116.26 2dfs s ALA 501 Ca 0.05 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2dfs s ALA 501 Cb 0.06 -3.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 2dfs s ALA 501 CO 0.22 -1.66 1.53 0.21 0.00 0.00 0.00 175.76 176.06 2dfs s LYS 502 N -5.27 4.16 0.00 0.00 2.47 -1.26 -1.43 119.74 118.40 2dfs s LYS 502 Ca 0.61 2.51 0.00 0.00 -1.56 0.00 0.00 55.97 57.52 2dfs s LYS 502 Cb -0.13 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.21 2dfs s LYS 502 CO 0.53 -0.55 0.00 -1.33 0.16 0.00 0.00 175.35 174.16 2dfs n MET 503 N 1.79 -0.43 -2.17 4.03 2.81 -1.26 -5.04 117.12 116.85 2dfs n MET 503 Ca 0.06 0.11 -0.28 0.00 -1.81 0.00 0.00 57.70 55.78 2dfs n MET 503 Cb 0.39 -3.42 0.18 0.00 -0.71 0.00 0.00 33.22 29.65 2dfs n MET 503 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2dfs s GLY 504 N -2.00 1.80 0.14 3.03 0.00 -0.52 -4.81 107.32 104.95 2dfs s GLY 504 Ca 0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 44.72 43.04 2dfs s GLY 504 CO 0.00 -0.75 1.73 -2.08 0.00 0.00 0.00 173.10 172.00 2dfs h VAL 505 N -1.38 1.16 -0.57 1.40 2.07 -1.19 -1.01 116.25 116.72 2dfs h VAL 505 Ca -0.41 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 2dfs h VAL 505 Cb 1.23 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2dfs h VAL 505 CO 0.34 0.17 -0.03 -0.07 0.02 0.00 0.00 177.57 178.00 2dfs h LEU 506 N 0.48 1.01 -0.21 2.57 3.38 -1.75 -2.40 115.31 118.39 2dfs h LEU 506 Ca 0.13 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2dfs h LEU 506 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2dfs h LEU 506 CO -0.02 1.09 0.08 -0.78 0.09 0.00 0.00 178.44 178.89 2dfs h ASP 507 N 0.91 0.30 -0.13 -0.43 3.58 -1.71 -0.81 116.42 118.13 2dfs h ASP 507 Ca 0.16 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 2dfs h ASP 507 Cb 0.58 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2dfs h ASP 507 CO 0.03 0.40 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.66 2dfs h LEU 508 N 0.18 0.39 -0.09 2.28 3.38 -1.23 0.31 115.31 120.54 2dfs h LEU 508 Ca 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dfs h LEU 508 Cb 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dfs h LEU 508 CO -0.00 0.50 0.04 0.25 0.09 0.00 0.00 178.44 179.32 2dfs h LEU 509 N 0.40 0.13 -1.14 1.67 5.85 -1.24 -1.52 115.31 119.46 2dfs h LEU 509 Ca 0.08 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2dfs h LEU 509 Cb 0.36 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2dfs h LEU 509 CO 0.02 0.25 0.41 0.44 -0.34 0.00 0.00 178.44 179.21 2dfs h ASP 510 N -0.00 0.89 -0.06 1.25 5.19 -0.76 -1.54 116.42 121.40 2dfs h ASP 510 Ca 0.03 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2dfs h ASP 510 Cb 0.16 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2dfs h ASP 510 CO -0.00 0.71 0.04 -0.33 -3.12 0.00 0.00 179.24 176.54 2dfs h GLU 511 N 1.01 0.08 -0.16 3.56 4.39 -0.89 -3.16 114.58 119.42 2dfs h GLU 511 Ca 0.26 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 2dfs h GLU 511 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2dfs h GLU 511 CO -0.04 0.06 -0.14 1.49 -1.16 0.00 0.00 179.01 179.21 2dfs h GLU 512 N 0.08 0.26 0.00 2.33 4.57 -0.92 -2.67 114.58 118.23 2dfs h GLU 512 Ca 0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2dfs h GLU 512 Cb -0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2dfs h GLU 512 CO -0.00 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.23 2dfs n LYS 514 N -1.71 2.19 -3.04 0.00 2.85 -1.01 -4.96 118.16 112.47 2dfs n LYS 514 Ca 0.03 -1.99 -0.39 0.00 -1.05 0.00 0.00 58.31 54.92 2dfs n LYS 514 Cb 0.21 -1.38 -0.06 0.00 -0.65 0.00 0.00 35.03 33.15 2dfs n LYS 514 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 2dfs s MET 515 N -1.18 4.48 0.00 -1.58 -1.94 -0.69 -4.97 119.30 113.42 2dfs s MET 515 Ca 0.29 1.06 0.20 0.00 -1.71 0.00 0.00 55.69 55.52 2dfs s MET 515 Cb 0.17 -3.23 0.67 0.00 2.01 0.00 0.00 34.83 34.45 2dfs s MET 515 CO 0.23 0.57 1.50 -0.35 -0.01 0.00 0.00 175.02 176.96 2dfs n PRO 516 N 1.56 1.78 -0.46 2.03 -0.04 -1.26 -3.24 135.00 135.37 2dfs n PRO 516 Ca -0.06 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 2dfs n PRO 516 Cb 0.49 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2dfs n PRO 516 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2dfs n LYS 517 N 0.42 0.00 -1.18 0.54 4.76 -1.26 -5.11 118.16 116.32 2dfs n LYS 517 Ca 0.16 -0.75 -0.30 0.00 -2.87 0.00 0.00 58.31 54.54 2dfs n LYS 517 Cb 0.34 -0.39 0.12 0.00 -1.84 0.00 0.00 35.03 33.26 2dfs n LYS 517 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2dfs s GLY 518 N -0.72 1.65 0.27 0.72 0.00 -1.20 -5.06 107.32 102.98 2dfs s GLY 518 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 44.72 44.76 2dfs s GLY 518 CO 0.00 0.57 0.52 -1.35 0.00 0.00 0.00 173.10 172.85 2dfs s SER 519 N -3.33 0.01 0.29 1.64 1.04 -1.26 -5.02 113.70 107.07 2dfs s SER 519 Ca 0.63 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 56.06 2dfs s SER 519 Cb -0.18 0.63 0.41 0.00 0.10 0.00 0.00 66.02 66.98 2dfs s SER 519 CO 0.57 -1.21 1.94 0.44 0.98 0.00 0.00 173.24 175.95 2dfs h ASP 520 N 2.20 0.95 -0.35 7.02 3.32 -1.99 -1.87 116.42 125.70 2dfs h ASP 520 Ca -0.26 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2dfs h ASP 520 Cb 1.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 2dfs h ASP 520 CO 0.35 0.72 0.15 0.44 -1.72 0.00 0.00 179.24 179.17 2dfs h ASP 521 N 1.10 0.48 -0.47 6.45 3.32 -1.94 -0.58 116.42 124.79 2dfs h ASP 521 Ca 0.29 -0.16 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2dfs h ASP 521 Cb -0.07 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2dfs h ASP 521 CO -0.06 0.50 -0.17 0.71 -1.72 0.00 0.00 179.24 178.50 2dfs h THR 522 N 0.42 1.27 -0.45 0.35 1.35 -1.93 -2.14 112.91 111.77 2dfs h THR 522 Ca 0.12 -1.32 0.01 0.00 -0.55 0.00 0.00 66.41 64.67 2dfs h THR 522 Cb 0.17 1.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 2dfs h THR 522 CO -0.01 0.46 0.28 -0.25 -0.25 0.00 0.00 175.52 175.75 2dfs h TRP 523 N 0.85 0.54 -0.58 4.73 7.01 -1.30 -1.04 115.95 126.15 2dfs h TRP 523 Ca 0.12 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.17 2dfs h TRP 523 Cb 0.73 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 2dfs h TRP 523 CO 0.05 0.32 0.33 0.00 -2.79 0.00 0.00 178.44 176.35 2dfs h ALA 524 N 1.18 0.75 -0.51 2.65 0.00 -0.91 -0.41 119.26 122.01 2dfs h ALA 524 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2dfs h ALA 524 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dfs h ALA 524 CO -0.06 0.03 0.03 0.37 0.00 0.00 0.00 179.25 179.62 2dfs h GLN 525 N 0.64 0.83 -0.68 0.00 5.75 -1.24 -1.94 115.11 118.48 2dfs h GLN 525 Ca 0.24 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2dfs h GLN 525 Cb 0.09 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 2dfs h GLN 525 CO -0.13 0.81 0.41 -0.22 -2.65 0.00 0.00 178.83 177.05 2dfs h LYS 526 N 0.78 0.92 -0.52 1.69 3.64 -0.56 0.12 116.57 122.65 2dfs h LYS 526 Ca 0.15 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2dfs h LYS 526 Cb 0.43 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2dfs h LYS 526 CO 0.02 0.66 0.31 -0.07 -2.27 0.00 0.00 179.45 178.09 2dfs h LEU 527 N 0.93 0.50 -0.35 5.20 3.38 -0.89 -0.66 115.31 123.41 2dfs h LEU 527 Ca 0.24 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dfs h LEU 527 Cb -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dfs h LEU 527 CO -0.05 0.35 0.10 1.88 0.09 0.00 0.00 178.44 180.82 2dfs h TYR 528 N 0.61 0.57 -0.32 1.13 0.05 -1.01 0.82 116.97 118.82 2dfs h TYR 528 Ca 0.21 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 2dfs h TYR 528 Cb 0.03 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 2dfs h TYR 528 CO -0.07 0.56 0.15 -0.91 -1.05 0.00 0.00 178.16 176.84 2dfs h ASN 529 N 0.41 0.42 -0.13 3.88 2.35 -0.86 -1.78 115.58 119.87 2dfs h ASN 529 Ca 0.11 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2dfs h ASN 529 Cb 0.26 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2dfs h ASN 529 CO -0.00 0.44 -0.18 0.74 -1.65 0.00 0.00 177.43 176.77 2dfs h THR 530 N 0.37 1.36 0.00 2.81 2.02 -1.12 -3.42 112.91 114.94 2dfs h THR 530 Ca 0.11 -1.40 -0.14 0.00 0.77 0.00 0.00 66.41 65.75 2dfs h THR 530 Cb 0.13 1.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 2dfs h THR 530 CO -0.01 0.41 -1.51 1.41 0.37 0.00 0.00 175.52 176.18 2dfs n HIS 531 N -4.53 0.00 -1.76 3.16 8.25 0.28 -4.80 115.22 115.82 2dfs n HIS 531 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 2dfs n HIS 531 Cb 0.39 -0.36 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 2dfs n HIS 531 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dfs s LEU 532 N -4.82 3.79 0.00 2.41 2.96 -0.67 -0.81 118.68 121.54 2dfs s LEU 532 Ca -0.06 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 2dfs s LEU 532 Cb 0.02 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2dfs s LEU 532 CO 0.28 -1.57 0.00 0.59 -1.32 0.00 0.00 176.35 174.33 2dfs n ASN 533 N 9.86 -2.68 -0.33 3.68 3.02 -1.26 -4.83 115.26 122.72 2dfs n ASN 533 Ca 0.24 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.85 2dfs n ASN 533 Cb 0.44 -0.57 0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2dfs n ASN 533 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dfs n LYS 534 N -2.69 1.33 -3.71 3.52 4.01 0.01 -4.97 118.16 115.66 2dfs n LYS 534 Ca 0.00 -0.87 -0.14 0.00 -0.51 0.00 0.00 58.31 56.79 2dfs n LYS 534 Cb 0.02 -1.15 -0.09 0.00 -0.51 0.00 0.00 35.03 33.30 2dfs n LYS 534 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dfs n ALA 536 N 1.86 2.44 0.36 0.00 0.00 -1.26 -4.02 120.51 119.88 2dfs n ALA 536 Ca -0.18 -0.80 0.12 0.00 0.00 0.00 0.00 53.44 52.58 2dfs n ALA 536 Cb 0.57 -0.78 0.22 0.00 0.00 0.00 0.00 19.45 19.46 2dfs n ALA 536 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dfs n LEU 537 N 1.32 3.39 -3.95 0.00 4.77 -1.26 -4.87 117.00 116.39 2dfs n LEU 537 Ca 0.15 -1.46 -0.26 0.00 -0.03 0.00 0.00 56.01 54.42 2dfs n LEU 537 Cb 0.57 -0.24 -0.17 0.00 -2.33 0.00 0.00 43.42 41.25 2dfs n LEU 537 CO 0.14 0.73 -0.45 0.12 -1.33 0.00 0.00 177.39 176.60 2dfs s PHE 538 N -1.51 1.48 0.29 -1.77 5.36 -1.26 -1.71 117.98 118.86 2dfs s PHE 538 Ca 0.39 -0.67 0.02 0.00 -0.96 0.00 0.00 56.93 55.71 2dfs s PHE 538 Cb 0.23 -1.17 -0.06 0.00 -0.34 0.00 0.00 43.02 41.68 2dfs s PHE 538 CO 0.32 -0.42 0.08 -1.21 -1.46 0.00 0.00 175.22 172.52 2dfs s GLU 539 N 1.30 1.53 -0.06 10.12 2.02 -0.26 -4.57 118.70 128.79 2dfs s GLU 539 Ca -0.03 -1.84 0.01 0.00 0.02 0.00 0.00 54.97 53.14 2dfs s GLU 539 Cb -0.14 -0.52 0.02 0.00 0.10 0.00 0.00 34.13 33.59 2dfs s GLU 539 CO -0.04 -0.26 -0.09 0.21 0.02 0.00 0.00 175.26 175.10 2dfs s LYS 540 N -3.96 1.34 0.18 1.61 2.20 -1.26 -1.36 119.74 118.49 2dfs s LYS 540 Ca 0.37 -0.27 -0.33 0.00 -0.36 0.00 0.00 55.97 55.37 2dfs s LYS 540 Cb 0.08 -1.21 -0.14 0.00 -1.51 0.00 0.00 37.83 35.05 2dfs s LYS 540 CO 0.15 -0.05 1.42 -0.35 -0.36 0.00 0.00 175.35 176.16 2dfs n PRO 541 N 4.05 1.81 -0.10 4.03 -0.04 -1.26 -4.91 135.00 138.58 2dfs n PRO 541 Ca -0.22 0.65 0.02 0.00 -0.04 0.00 0.00 63.50 63.91 2dfs n PRO 541 Cb 0.51 -2.32 0.33 0.00 -0.04 0.00 0.00 33.50 31.98 2dfs n PRO 541 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2dfs h ARG 542 N 4.76 0.74 -0.24 0.54 2.43 -2.00 -2.92 114.38 117.69 2dfs h ARG 542 Ca -0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2dfs h ARG 542 Cb 1.29 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2dfs h ARG 542 CO 0.80 0.51 0.00 1.28 -1.51 0.00 0.00 179.97 181.05 2dfs n LEU 543 N -4.44 2.91 -4.23 3.80 4.77 -1.26 -4.97 117.00 113.59 2dfs n LEU 543 Ca 0.05 -1.39 -0.24 0.00 -0.03 0.00 0.00 56.01 54.39 2dfs n LEU 543 Cb 0.06 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 2dfs n LEU 543 CO 0.36 0.61 -0.51 -0.55 -1.33 0.00 0.00 177.39 175.97 2dfs s SER 544 N -1.31 2.31 0.00 -1.43 0.15 -1.10 -5.00 113.70 107.31 2dfs s SER 544 Ca 0.28 -0.50 0.11 0.00 0.70 0.00 0.00 55.95 56.54 2dfs s SER 544 Cb 0.17 -0.19 0.27 0.00 -1.71 0.00 0.00 66.02 64.56 2dfs s SER 544 CO 0.24 0.14 1.17 0.59 1.20 0.00 0.00 173.24 176.58 2dfs n ASN 545 N 1.90 2.73 -0.32 5.45 3.02 -1.26 -4.54 115.26 122.23 2dfs n ASN 545 Ca -0.17 -1.87 0.08 0.00 -0.03 0.00 0.00 54.58 52.59 2dfs n ASN 545 Cb 0.54 -0.18 0.17 0.00 -0.61 0.00 0.00 39.78 39.69 2dfs n ASN 545 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2dfs n LYS 546 N 0.60 1.41 -3.65 3.52 4.81 -1.26 -4.73 118.16 118.87 2dfs n LYS 546 Ca 0.11 -2.91 -0.13 0.00 -0.87 0.00 0.00 58.31 54.52 2dfs n LYS 546 Cb 0.40 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.84 2dfs n LYS 546 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dfs s ALA 547 N -3.03 -1.02 0.04 3.14 0.00 -1.26 -0.87 121.76 118.76 2dfs s ALA 547 Ca 0.35 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 2dfs s ALA 547 Cb 0.32 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2dfs s ALA 547 CO -0.02 -0.48 0.09 -0.59 0.00 0.00 0.00 175.76 174.76 2dfs s PHE 548 N -2.61 0.22 -0.11 0.00 -0.12 -0.39 -4.39 117.98 110.58 2dfs s PHE 548 Ca -0.04 -0.54 0.04 0.00 -0.05 0.00 0.00 56.93 56.33 2dfs s PHE 548 Cb -0.01 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 2dfs s PHE 548 CO -0.03 -0.36 -0.23 0.42 -0.05 0.00 0.00 175.22 174.96 2dfs s ILE 549 N -2.68 2.01 -0.11 -4.49 1.01 -0.46 -0.51 121.20 115.97 2dfs s ILE 549 Ca -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2dfs s ILE 549 Cb -0.01 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 2dfs s ILE 549 CO -0.05 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 174.72 2dfs s ILE 550 N 0.46 3.49 -0.68 2.92 -1.09 -0.89 -1.10 121.20 124.31 2dfs s ILE 550 Ca -0.16 -0.53 -0.23 0.00 -2.23 0.00 0.00 60.65 57.50 2dfs s ILE 550 Cb -0.17 -2.47 0.07 0.00 -1.58 0.00 0.00 42.46 38.31 2dfs s ILE 550 CO 0.06 0.54 1.01 -0.75 -1.23 0.00 0.00 174.94 174.58 2dfs s LYS 551 N -0.07 3.14 0.73 2.79 2.47 -0.69 -1.63 119.74 126.48 2dfs s LYS 551 Ca -0.00 -0.78 -0.09 0.00 -1.56 0.00 0.00 55.97 53.53 2dfs s LYS 551 Cb -0.14 -4.25 0.05 0.00 -1.46 0.00 0.00 37.83 32.04 2dfs s LYS 551 CO 0.03 -1.86 1.08 -1.01 0.16 0.00 0.00 175.35 173.74 2dfs s HIS 552 N 4.25 3.04 0.00 4.03 3.76 -0.76 -4.95 115.29 124.67 2dfs s HIS 552 Ca 0.24 0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 55.83 2dfs s HIS 552 Cb -0.15 -3.23 -0.00 0.00 1.11 0.00 0.00 32.58 30.31 2dfs s HIS 552 CO 0.10 -1.44 0.71 0.34 -0.85 0.00 0.00 174.74 173.61 2dfs n PHE 553 N -3.04 -0.01 0.30 1.40 7.35 -1.26 -2.72 117.46 119.48 2dfs n PHE 553 Ca 0.07 0.02 -0.15 0.00 -0.76 0.00 0.00 57.45 56.64 2dfs n PHE 553 Cb 0.60 -0.36 -0.08 0.00 0.35 0.00 0.00 39.48 39.99 2dfs n PHE 553 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dfs h ALA 554 N -0.67 -0.77 -2.95 3.13 0.00 -1.95 -3.49 119.26 112.55 2dfs h ALA 554 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2dfs h ALA 554 Cb 0.01 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2dfs h ALA 554 CO -0.02 -0.82 0.09 0.34 0.00 0.00 0.00 179.25 178.84 2dfs s ASP 555 N -4.63 0.06 0.33 0.00 -1.08 -1.10 -4.97 116.67 105.27 2dfs s ASP 555 Ca -0.15 -1.00 -0.27 0.00 -0.52 0.00 0.00 52.55 50.61 2dfs s ASP 555 Cb 0.02 0.72 -0.09 0.00 -1.46 0.00 0.00 42.92 42.11 2dfs s ASP 555 CO 0.52 -1.40 1.04 -0.54 0.52 0.00 0.00 175.17 175.31 2dfs s LYS 556 N -3.30 4.46 -0.08 4.34 1.02 -1.26 -1.83 119.74 123.09 2dfs s LYS 556 Ca 0.18 1.59 -0.00 0.00 0.02 0.00 0.00 55.97 57.76 2dfs s LYS 556 Cb -0.03 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2dfs s LYS 556 CO 0.11 0.11 -0.04 0.08 -0.92 0.00 0.00 175.35 174.68 2dfs s VAL 557 N -1.43 0.69 -0.23 3.17 1.01 -0.64 -4.95 120.40 118.02 2dfs s VAL 557 Ca 0.50 -0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 2dfs s VAL 557 Cb -0.25 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2dfs s VAL 557 CO 0.32 0.30 0.63 -0.70 0.00 0.00 0.00 175.10 175.65 2dfs s GLU 558 N 1.57 4.16 -0.13 2.72 2.12 -1.26 -2.10 118.70 125.78 2dfs s GLU 558 Ca 0.00 0.59 -0.03 0.00 0.36 0.00 0.00 54.97 55.89 2dfs s GLU 558 Cb -0.13 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 2dfs s GLU 558 CO -0.04 -0.34 -0.03 0.71 -0.54 0.00 0.00 175.26 175.02 2dfs s TYR 559 N 2.25 3.06 -0.15 5.30 2.02 0.33 -4.08 117.35 126.08 2dfs s TYR 559 Ca 0.27 -0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.67 2dfs s TYR 559 Cb -0.16 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2dfs s TYR 559 CO 0.09 0.13 0.47 -0.65 -1.57 0.00 0.00 175.55 174.02 2dfs s GLN 560 N -0.04 4.28 0.47 -0.62 -1.52 0.12 -1.26 119.66 121.08 2dfs s GLN 560 Ca 0.02 0.40 0.24 0.00 -1.95 0.00 0.00 55.36 54.07 2dfs s GLN 560 Cb -0.13 -3.48 1.14 0.00 -0.22 0.00 0.00 33.01 30.32 2dfs s GLN 560 CO 0.02 0.05 1.94 0.00 -0.25 0.00 0.00 175.29 177.06 2dfs n GLU 562 N -3.62 2.56 -0.00 0.00 2.13 -1.26 -1.91 120.64 118.54 2dfs n GLU 562 Ca -0.01 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.69 2dfs n GLU 562 Cb 0.34 -3.08 0.00 0.00 0.27 0.00 0.00 31.44 28.97 2dfs n GLU 562 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dfs n GLY 563 N 4.96 0.28 0.15 8.31 0.00 -1.26 -4.97 105.19 112.65 2dfs n GLY 563 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 2dfs n GLY 563 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2dfs h PHE 564 N 0.00 0.42 -0.18 1.61 0.04 -1.69 -2.92 116.94 114.22 2dfs h PHE 564 Ca 0.00 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2dfs h PHE 564 Cb 0.00 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 2dfs h PHE 564 CO 0.00 0.43 0.07 -0.07 -0.60 0.00 0.00 178.31 178.14 2dfs h LEU 565 N 0.28 0.24 -0.59 1.54 4.07 -1.94 -2.50 115.31 116.42 2dfs h LEU 565 Ca 0.09 -0.16 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 2dfs h LEU 565 Cb 0.20 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 2dfs h LEU 565 CO -0.01 0.34 0.12 -0.33 -1.08 0.00 0.00 178.44 177.48 2dfs h GLU 566 N 0.13 0.95 -0.83 1.13 4.39 -1.97 -2.72 114.58 115.67 2dfs h GLU 566 Ca 0.06 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2dfs h GLU 566 Cb 0.17 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2dfs h GLU 566 CO -0.01 0.89 0.47 0.87 -1.16 0.00 0.00 179.01 180.07 2dfs h LYS 567 N 0.85 1.15 -0.47 2.33 1.57 -1.53 -3.05 116.57 117.43 2dfs h LYS 567 Ca 0.18 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2dfs h LYS 567 Cb 0.38 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2dfs h LYS 567 CO 0.01 0.84 0.02 -0.97 -0.57 0.00 0.00 179.45 178.77 2dfs h ASN 568 N 1.15 0.73 -2.73 0.86 -1.24 -1.28 -3.44 115.58 109.62 2dfs h ASN 568 Ca 0.29 -0.16 -0.52 0.00 0.71 0.00 0.00 56.30 56.62 2dfs h ASN 568 Cb 0.01 -0.19 0.06 0.00 0.73 0.00 0.00 38.32 38.93 2dfs h ASN 568 CO -0.05 0.78 0.99 -0.54 -1.29 0.00 0.00 177.43 177.32 2dfs s LYS 569 N -5.01 4.13 -0.11 6.67 1.02 -1.04 -0.97 119.74 124.43 2dfs s LYS 569 Ca -0.09 2.58 0.16 0.00 0.02 0.00 0.00 55.97 58.64 2dfs s LYS 569 Cb 0.15 -3.08 0.33 0.00 -0.52 0.00 0.00 37.83 34.71 2dfs s LYS 569 CO 0.80 -0.73 1.17 -3.47 -0.92 0.00 0.00 175.35 172.21 2dfs n ASP 570 N 3.86 0.17 -4.39 2.83 2.03 -1.23 -4.79 116.55 115.03 2dfs n ASP 570 Ca 0.15 -2.04 -0.45 0.00 0.52 0.00 0.00 54.79 52.97 2dfs n ASP 570 Cb 0.36 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 2dfs n ASP 570 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dfs s THR 571 N -0.80 5.13 0.46 5.18 2.01 -1.23 -4.63 115.64 121.76 2dfs s THR 571 Ca 0.19 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.05 2dfs s THR 571 Cb 0.28 -4.60 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 2dfs s THR 571 CO -0.09 -1.25 1.35 0.54 -0.69 0.00 0.00 174.62 174.48 2dfs s VAL 572 N 1.58 2.34 -0.10 3.82 0.11 -1.26 -4.69 120.40 122.20 2dfs s VAL 572 Ca 0.23 0.29 -0.17 0.00 -2.93 0.00 0.00 61.98 59.40 2dfs s VAL 572 Cb -0.10 -3.16 -0.05 0.00 -1.53 0.00 0.00 36.38 31.54 2dfs s VAL 572 CO -0.07 0.03 0.46 -0.31 -3.33 0.00 0.00 175.10 171.88 2dfs s TYR 573 N -1.27 3.55 0.17 1.54 4.12 -1.26 -5.00 117.35 119.20 2dfs s TYR 573 Ca 0.62 0.90 -0.14 0.00 0.02 0.00 0.00 57.07 58.46 2dfs s TYR 573 Cb -0.40 -2.50 0.08 0.00 -1.52 0.00 0.00 41.96 37.62 2dfs s TYR 573 CO 0.50 0.25 1.81 1.49 0.02 0.00 0.00 175.55 179.62 2dfs h GLU 574 N 6.38 0.55 -0.75 -0.62 4.22 -1.99 -2.90 114.58 119.47 2dfs h GLU 574 Ca -0.43 -0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.13 2dfs h GLU 574 Cb 1.18 -0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.17 2dfs h GLU 574 CO 0.73 0.36 -0.15 1.05 -2.18 0.00 0.00 179.01 178.83 2dfs h GLU 575 N 0.56 0.02 -0.78 1.92 9.09 -1.95 -1.21 114.58 122.22 2dfs h GLU 575 Ca 0.19 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.59 2dfs h GLU 575 Cb 0.02 -0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.08 2dfs h GLU 575 CO -0.09 0.01 0.43 1.96 0.05 0.00 0.00 179.01 181.37 2dfs h GLN 576 N 0.02 1.09 -0.56 1.06 4.20 -1.80 -2.21 115.11 116.90 2dfs h GLN 576 Ca 0.37 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 2dfs h GLN 576 Cb 0.58 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 2dfs h GLN 576 CO -0.75 0.80 -0.06 0.82 -0.67 0.00 0.00 178.83 178.97 2dfs h ILE 577 N 1.09 1.27 -0.90 2.54 2.04 -1.27 -3.04 117.51 119.24 2dfs h ILE 577 Ca 0.28 -1.21 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2dfs h ILE 577 Cb 0.03 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2dfs h ILE 577 CO -0.04 0.43 0.59 0.50 0.00 0.00 0.00 178.15 179.63 2dfs h LYS 578 N 0.90 1.14 -0.51 2.37 1.63 -0.89 -0.02 116.57 121.19 2dfs h LYS 578 Ca 0.15 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 2dfs h LYS 578 Cb 0.62 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 2dfs h LYS 578 CO 0.04 0.76 0.20 0.28 -3.45 0.00 0.00 179.45 177.27 2dfs h VAL 579 N 1.18 0.85 -0.31 2.00 2.07 -1.31 -2.36 116.25 118.37 2dfs h VAL 579 Ca 0.35 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 2dfs h VAL 579 Cb -0.06 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2dfs h VAL 579 CO -0.10 0.07 -0.21 -0.07 0.02 0.00 0.00 177.57 177.28 2dfs h LEU 580 N 0.38 0.73 -2.08 2.57 3.38 -1.40 -3.27 115.31 115.62 2dfs h LEU 580 Ca 0.24 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2dfs h LEU 580 Cb 0.24 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2dfs h LEU 580 CO -0.23 1.01 -0.02 0.50 0.09 0.00 0.00 178.44 179.79 2dfs h LYS 581 N 0.45 0.00 -0.74 1.13 1.63 -0.78 -2.88 116.57 115.38 2dfs h LYS 581 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2dfs h LYS 581 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2dfs h LYS 581 CO 0.06 0.02 0.00 -1.13 -3.45 0.00 0.00 179.45 174.94 2dfs n SER 582 N -4.35 3.51 -4.72 4.20 3.41 -0.91 -4.69 113.62 110.07 2dfs n SER 582 Ca -0.03 -2.47 -0.33 0.00 -0.26 0.00 0.00 58.87 55.78 2dfs n SER 582 Cb 0.10 -0.58 0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2dfs n SER 582 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dfs s SER 583 N -0.48 4.05 0.00 4.04 0.15 -1.09 -5.01 113.70 115.37 2dfs s SER 583 Ca 0.30 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2dfs s SER 583 Cb 0.22 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2dfs s SER 583 CO 0.10 -2.35 0.41 2.29 1.20 0.00 0.00 173.24 174.89 2dfs n LYS 584 N -3.11 0.00 0.00 5.44 2.85 -1.26 -4.81 118.16 117.28 2dfs n LYS 584 Ca 0.12 -0.41 0.00 0.00 -1.05 0.00 0.00 58.31 56.97 2dfs n LYS 584 Cb 0.51 -0.47 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 2dfs n LYS 584 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2dfs n LYS 585 N 0.00 3.86 -3.70 -1.58 3.00 -1.26 -5.01 118.16 113.47 2dfs n LYS 585 Ca 0.00 -0.17 -0.25 0.00 -0.00 0.00 0.00 58.31 57.89 2dfs n LYS 585 Cb 0.47 -0.66 -0.17 0.00 0.00 0.00 0.00 35.03 34.67 2dfs n LYS 585 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2dfs s PHE 586 N -0.60 0.58 0.06 5.64 2.19 -1.26 -5.04 117.98 119.54 2dfs s PHE 586 Ca 0.00 -0.39 -0.18 0.00 0.33 0.00 0.00 56.93 56.69 2dfs s PHE 586 Cb 0.00 -0.81 -0.13 0.00 -1.31 0.00 0.00 43.02 40.77 2dfs s PHE 586 CO 0.00 -0.46 1.34 -0.22 1.83 0.00 0.00 175.22 177.71 2dfs h LYS 587 N 8.34 0.51 -0.63 10.12 3.64 -1.95 -3.36 116.57 133.24 2dfs h LYS 587 Ca -0.16 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 2dfs h LYS 587 Cb 1.13 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2dfs h LYS 587 CO 0.28 0.90 0.16 1.25 -2.27 0.00 0.00 179.45 179.77 2dfs h LEU 588 N 0.17 0.95 -0.71 5.20 5.85 -1.96 -3.30 115.31 121.50 2dfs h LEU 588 Ca 0.02 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2dfs h LEU 588 Cb 0.85 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2dfs h LEU 588 CO 0.06 0.93 0.38 0.25 -0.34 0.00 0.00 178.44 179.72 2dfs h LEU 589 N 0.92 0.55 -0.06 2.25 5.85 -1.95 -0.32 115.31 122.54 2dfs h LEU 589 Ca 0.20 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2dfs h LEU 589 Cb 0.35 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2dfs h LEU 589 CO 0.00 0.34 0.00 -0.81 -0.34 0.00 0.00 178.44 177.63 2dfs n PRO 590 N -4.80 0.06 0.17 5.25 -0.04 -1.25 -3.47 135.00 130.92 2dfs n PRO 590 Ca 0.10 0.14 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 2dfs n PRO 590 Cb 0.21 -1.58 0.17 0.00 -0.04 0.00 0.00 33.50 32.27 2dfs n PRO 590 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dfs h GLU 591 N 0.00 0.00 -0.70 0.54 4.81 -1.14 -3.27 114.58 114.82 2dfs h GLU 591 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2dfs h GLU 591 Cb 0.46 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2dfs h GLU 591 CO 0.00 0.37 0.26 -0.07 -0.73 0.00 0.00 179.01 178.84 2dfs h LEU 592 N 0.00 0.96 -7.98 1.64 3.38 -1.54 -3.43 115.31 108.34 2dfs h LEU 592 Ca -0.00 -0.15 -0.70 0.00 0.09 0.00 0.00 57.88 57.12 2dfs h LEU 592 Cb 1.15 -0.25 -0.31 0.00 0.09 0.00 0.00 40.66 41.34 2dfs h LEU 592 CO 0.05 0.87 -0.53 -0.36 0.09 0.00 0.00 178.44 178.56 2dfs s PHE 593 N -5.45 3.43 -0.11 1.13 0.08 -1.24 -4.93 117.98 110.90 2dfs s PHE 593 Ca -0.11 -1.96 0.01 0.00 0.12 0.00 0.00 56.93 54.99 2dfs s PHE 593 Cb 0.16 -2.97 0.03 0.00 -0.57 0.00 0.00 43.02 39.68 2dfs s PHE 593 CO 0.82 -0.90 1.01 1.04 -0.10 0.00 0.00 175.22 177.09 2dfs n GLN 594 N 4.74 2.86 -2.60 0.44 1.13 -1.26 -5.04 117.38 117.64 2dfs n GLN 594 Ca -0.07 -1.53 -0.43 0.00 -1.94 0.00 0.00 57.00 53.03 2dfs n GLN 594 Cb 0.42 -1.03 -0.02 0.00 0.11 0.00 0.00 30.24 29.72 2dfs n GLN 594 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2dfs s HIS 632 N -0.97 3.06 0.05 1.08 -3.43 -1.26 -5.28 115.29 108.55 2dfs s HIS 632 Ca 0.03 1.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.41 2dfs s HIS 632 Cb 0.01 -3.75 0.00 0.00 -1.43 0.00 0.00 32.58 27.42 2dfs s HIS 632 CO 0.02 -0.95 0.00 1.17 -2.00 0.00 0.00 174.74 172.98 2dfs n LYS 633 N 6.96 -2.28 -3.24 -0.38 4.81 -1.26 -5.02 118.16 117.75 2dfs n LYS 633 Ca 0.12 1.92 -0.36 0.00 -0.87 0.00 0.00 58.31 59.13 2dfs n LYS 633 Cb 0.47 -2.03 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 2dfs n LYS 633 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2dfs s LYS 634 N -1.72 4.13 0.03 1.64 2.47 -1.26 -5.07 119.74 119.95 2dfs s LYS 634 Ca 0.00 0.69 -0.02 0.00 -1.56 0.00 0.00 55.97 55.07 2dfs s LYS 634 Cb 0.00 -2.96 -0.02 0.00 -1.46 0.00 0.00 37.83 33.39 2dfs s LYS 634 CO 0.00 0.47 0.02 0.95 0.16 0.00 0.00 175.35 176.95 2dfs s THR 635 N -1.43 0.14 0.10 3.43 -4.23 -1.26 -3.50 115.64 108.89 2dfs s THR 635 Ca 0.38 -1.14 -0.17 0.00 -1.18 0.00 0.00 61.69 59.58 2dfs s THR 635 Cb -0.16 -0.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.89 2dfs s THR 635 CO 0.20 -0.63 1.58 0.58 -0.54 0.00 0.00 174.62 175.81 2dfs h VAL 636 N 4.01 1.24 -0.12 2.29 2.07 -1.35 -2.36 116.25 122.03 2dfs h VAL 636 Ca -0.32 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.42 2dfs h VAL 636 Cb 1.19 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 2dfs h VAL 636 CO 0.49 0.27 -0.15 1.23 0.02 0.00 0.00 177.57 179.42 2dfs h GLY 637 N 0.33 -0.10 0.97 2.17 0.00 -1.93 0.52 103.07 105.04 2dfs h GLY 637 Ca 0.09 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.63 2dfs h GLY 637 CO 0.01 -0.15 0.61 0.84 0.00 0.00 0.00 176.54 177.85 2dfs h HIS 638 N -0.20 1.16 -0.62 5.60 6.17 -1.94 -1.09 115.15 124.22 2dfs h HIS 638 Ca 0.09 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.18 2dfs h HIS 638 Cb 0.33 -0.39 -0.03 0.00 2.52 0.00 0.00 27.41 29.84 2dfs h HIS 638 CO -0.27 0.71 0.31 1.96 0.71 0.00 0.00 177.93 181.35 2dfs h GLN 639 N 1.23 0.89 -0.48 5.26 4.20 -1.06 -1.63 115.11 123.52 2dfs h GLN 639 Ca 0.35 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2dfs h GLN 639 Cb -0.10 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 2dfs h GLN 639 CO -0.09 0.71 0.30 0.35 -0.67 0.00 0.00 178.83 179.43 2dfs h PHE 640 N 0.86 0.62 -0.60 2.96 3.57 -0.58 -1.63 116.94 122.13 2dfs h PHE 640 Ca 0.21 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.75 2dfs h PHE 640 Cb 0.11 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 2dfs h PHE 640 CO -0.00 0.42 0.36 -0.09 -2.23 0.00 0.00 178.31 176.77 2dfs h ARG 641 N 0.64 0.68 -0.44 1.11 2.43 -1.09 -0.53 114.38 117.19 2dfs h ARG 641 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2dfs h ARG 641 Cb -0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2dfs h ARG 641 CO -0.03 0.45 0.18 -0.91 -1.51 0.00 0.00 179.97 178.15 2dfs h ASN 642 N 0.70 0.60 -0.58 -3.80 4.21 -1.05 -1.61 115.58 114.05 2dfs h ASN 642 Ca 0.25 -0.16 -0.07 0.00 1.21 0.00 0.00 56.30 57.53 2dfs h ASN 642 Cb 0.05 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 2dfs h ASN 642 CO -0.12 0.59 0.11 -1.28 -1.29 0.00 0.00 177.43 175.45 2dfs h SER 643 N 0.56 0.94 -0.58 5.81 0.87 -1.13 -2.54 113.55 117.48 2dfs h SER 643 Ca 0.15 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2dfs h SER 643 Cb 0.18 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 2dfs h SER 643 CO -0.01 0.93 0.34 0.25 -0.53 0.00 0.00 176.83 177.81 2dfs h LEU 644 N 0.93 0.70 -0.34 2.23 5.85 -0.95 -1.07 115.31 122.66 2dfs h LEU 644 Ca 0.19 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2dfs h LEU 644 Cb 0.39 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2dfs h LEU 644 CO 0.01 0.57 0.16 0.45 -0.34 0.00 0.00 178.44 179.28 2dfs h HIS 645 N 0.78 0.51 -0.99 1.25 3.86 -1.21 -2.25 115.15 117.10 2dfs h HIS 645 Ca 0.21 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.44 2dfs h HIS 645 Cb 0.00 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 2dfs h HIS 645 CO -0.02 0.45 0.65 -0.07 0.86 0.00 0.00 177.93 179.79 2dfs h LEU 646 N 0.42 1.05 -0.21 2.43 4.07 -1.28 -0.71 115.31 121.08 2dfs h LEU 646 Ca 0.12 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 2dfs h LEU 646 Cb 0.14 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 2dfs h LEU 646 CO -0.01 0.70 0.12 0.25 -1.08 0.00 0.00 178.44 178.42 2dfs h LEU 647 N 1.21 0.26 -1.01 1.67 5.85 -1.14 -2.73 115.31 119.42 2dfs h LEU 647 Ca 0.41 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2dfs h LEU 647 Cb 0.08 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2dfs h LEU 647 CO -0.14 0.25 0.25 0.24 -0.34 0.00 0.00 178.44 178.70 2dfs h MET 648 N 0.24 0.96 -0.58 1.25 2.86 -0.67 -1.76 114.93 117.23 2dfs h MET 648 Ca 0.07 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2dfs h MET 648 Cb 0.05 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2dfs h MET 648 CO -0.01 0.79 0.32 0.93 1.06 0.00 0.00 176.91 180.00 2dfs h GLU 649 N 0.94 0.80 -0.76 1.72 5.08 -1.17 -0.70 114.58 120.48 2dfs h GLU 649 Ca 0.22 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2dfs h GLU 649 Cb 0.20 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2dfs h GLU 649 CO -0.02 0.61 0.51 1.15 -1.00 0.00 0.00 179.01 180.26 2dfs h THR 650 N 0.78 1.20 0.00 1.13 2.02 -1.22 -2.78 112.91 114.03 2dfs h THR 650 Ca 0.20 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2dfs h THR 650 Cb 0.04 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2dfs h THR 650 CO -0.03 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.23 2dfs n LEU 651 N -4.55 0.46 -0.85 2.58 4.77 -0.69 -3.30 117.00 115.42 2dfs n LEU 651 Ca 0.07 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.72 2dfs n LEU 651 Cb 0.02 -0.40 0.17 0.00 -2.33 0.00 0.00 43.42 40.88 2dfs n LEU 651 CO 0.36 -0.11 0.66 0.59 -1.33 0.00 0.00 177.39 177.56 2dfs n ASN 652 N -1.93 2.67 -0.30 -1.43 3.02 -0.29 -3.74 115.26 113.26 2dfs n ASN 652 Ca 0.06 -1.88 0.13 0.00 -0.03 0.00 0.00 54.58 52.87 2dfs n ASN 652 Cb 0.39 0.03 0.43 0.00 -0.61 0.00 0.00 39.78 40.01 2dfs n ASN 652 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dfs n ALA 653 N 1.06 2.92 -2.71 5.41 0.00 -1.16 -4.94 120.51 121.10 2dfs n ALA 653 Ca 0.15 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 2dfs n ALA 653 Cb 0.55 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.76 2dfs n ALA 653 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dfs s THR 654 N -2.36 1.42 -0.18 0.00 -4.23 -1.25 -4.68 115.64 104.36 2dfs s THR 654 Ca 0.28 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.75 2dfs s THR 654 Cb 0.20 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 2dfs s THR 654 CO 0.47 0.00 0.02 -0.89 -0.54 0.00 0.00 174.62 173.68 2dfs s THR 655 N -2.82 4.38 -0.04 3.99 2.01 -1.06 -4.93 115.64 117.17 2dfs s THR 655 Ca 0.15 -0.18 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2dfs s THR 655 Cb 0.04 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 2dfs s THR 655 CO 0.08 0.46 0.10 -2.16 -0.69 0.00 0.00 174.62 172.41 2dfs s PRO 656 N 0.51 3.19 0.01 4.92 0.04 -1.26 -1.75 135.00 140.66 2dfs s PRO 656 Ca 0.01 -0.38 0.08 0.00 0.04 0.00 0.00 61.00 60.74 2dfs s PRO 656 Cb -0.13 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2dfs s PRO 656 CO 0.02 0.68 -0.23 -1.01 0.04 0.00 0.00 177.00 176.50 2dfs s HIS 657 N -1.15 2.42 -0.14 0.56 3.76 0.56 -4.96 115.29 116.34 2dfs s HIS 657 Ca 0.21 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.78 2dfs s HIS 657 Cb -0.12 -1.47 0.02 0.00 1.11 0.00 0.00 32.58 32.12 2dfs s HIS 657 CO 0.12 0.11 -0.17 0.71 -0.85 0.00 0.00 174.74 174.65 2dfs s TYR 658 N -0.76 2.32 -0.12 1.40 2.02 -1.26 0.07 117.35 121.02 2dfs s TYR 658 Ca 0.12 -1.21 0.02 0.00 -0.37 0.00 0.00 57.07 55.63 2dfs s TYR 658 Cb -0.10 -1.64 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2dfs s TYR 658 CO 0.02 -0.61 -0.20 0.08 -1.57 0.00 0.00 175.55 173.27 2dfs s VAL 659 N 1.10 2.35 -0.26 0.71 1.01 -0.38 -1.33 120.40 123.60 2dfs s VAL 659 Ca -0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2dfs s VAL 659 Cb -0.14 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2dfs s VAL 659 CO -0.05 0.54 0.00 -0.13 0.00 0.00 0.00 175.10 175.46 2dfs s ARG 660 N 0.50 3.06 -0.09 2.72 1.81 0.55 -1.42 118.95 126.08 2dfs s ARG 660 Ca -0.13 -0.85 -0.13 0.00 -1.72 0.00 0.00 55.73 52.90 2dfs s ARG 660 Cb -0.17 -3.15 -0.05 0.00 -0.45 0.00 0.00 34.95 31.14 2dfs s ARG 660 CO 0.05 -0.37 0.32 0.00 -0.68 0.00 0.00 175.30 174.61 2dfs s ILE 662 N -0.39 1.37 -0.14 0.00 -1.09 0.44 -4.24 121.20 117.15 2dfs s ILE 662 Ca 0.19 -0.63 -0.22 0.00 -2.23 0.00 0.00 60.65 57.77 2dfs s ILE 662 Cb -0.14 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 2dfs s ILE 662 CO 0.08 0.40 0.66 -0.75 -1.23 0.00 0.00 174.94 174.10 2dfs s LYS 663 N 0.49 4.32 0.01 2.79 2.20 -1.26 -1.38 119.74 126.91 2dfs s LYS 663 Ca -0.14 0.73 0.22 0.00 -0.36 0.00 0.00 55.97 56.42 2dfs s LYS 663 Cb -0.16 -3.51 -0.21 0.00 -1.51 0.00 0.00 37.83 32.44 2dfs s LYS 663 CO 0.05 -0.09 0.72 -0.35 -0.36 0.00 0.00 175.35 175.31 2dfs n PRO 664 N 4.45 0.46 -3.69 4.03 -0.04 -1.26 -4.54 135.00 134.40 2dfs n PRO 664 Ca -0.01 -0.09 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 2dfs n PRO 664 Cb 0.50 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 2dfs n PRO 664 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dfs s ASN 665 N -4.20 -0.22 0.12 3.54 2.20 -1.26 -0.87 114.94 114.25 2dfs s ASN 665 Ca -0.02 -0.12 0.26 0.00 -0.94 0.00 0.00 52.86 52.04 2dfs s ASN 665 Cb 0.14 0.41 0.69 0.00 -2.00 0.00 0.00 41.25 40.49 2dfs s ASN 665 CO 0.87 -0.68 1.61 0.47 -2.94 0.00 0.00 177.10 176.43 2dfs n ASP 666 N 0.40 0.62 -0.61 3.54 8.00 -1.26 -4.27 116.55 122.97 2dfs n ASP 666 Ca -0.18 0.32 0.06 0.00 0.71 0.00 0.00 54.79 55.70 2dfs n ASP 666 Cb 0.60 -0.31 0.14 0.00 -0.02 0.00 0.00 41.12 41.52 2dfs n ASP 666 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2dfs n PHE 667 N -2.01 0.39 -1.85 1.24 3.72 -1.26 -4.95 117.46 112.73 2dfs n PHE 667 Ca 0.05 -0.41 -0.01 0.00 -0.05 0.00 0.00 57.45 57.03 2dfs n PHE 667 Cb 0.41 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2dfs n PHE 667 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2dfs n LYS 668 N 0.54 -0.06 -2.84 -1.08 5.02 -1.26 -5.01 118.16 113.46 2dfs n LYS 668 Ca 0.11 0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 56.11 2dfs n LYS 668 Cb 0.40 -3.67 -0.04 0.00 -0.02 0.00 0.00 35.03 31.71 2dfs n LYS 668 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2dfs s PHE 669 N -2.04 3.62 0.09 2.13 0.08 -1.26 -4.93 117.98 115.67 2dfs s PHE 669 Ca 0.00 1.52 -0.31 0.00 0.12 0.00 0.00 56.93 58.26 2dfs s PHE 669 Cb 0.00 -3.00 -0.10 0.00 -0.57 0.00 0.00 43.02 39.35 2dfs s PHE 669 CO 0.00 0.02 1.90 -0.35 -0.10 0.00 0.00 175.22 176.69 2dfs n PRO 670 N 3.91 2.84 -4.17 0.24 -0.04 -1.26 -3.39 135.00 133.14 2dfs n PRO 670 Ca 0.03 1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 64.22 2dfs n PRO 670 Cb 0.51 -2.96 -0.05 0.00 -0.04 0.00 0.00 33.50 30.96 2dfs n PRO 670 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dfs n PHE 671 N 6.44 -1.53 -5.01 0.54 3.01 -0.63 -4.98 117.46 115.30 2dfs n PHE 671 Ca 0.19 0.72 -0.32 0.00 1.01 0.00 0.00 57.45 59.05 2dfs n PHE 671 Cb 0.39 -3.14 -0.15 0.00 -0.01 0.00 0.00 39.48 36.57 2dfs n PHE 671 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2dfs s THR 672 N -3.84 2.60 -0.12 4.37 2.01 -1.22 -4.88 115.64 114.56 2dfs s THR 672 Ca 0.26 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 2dfs s THR 672 Cb -0.15 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2dfs s THR 672 CO 0.94 0.55 -0.04 0.12 -0.69 0.00 0.00 174.62 175.50 2dfs s PHE 673 N 0.09 3.02 -0.21 4.92 5.36 -1.26 -4.17 117.98 125.73 2dfs s PHE 673 Ca -0.08 -0.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2dfs s PHE 673 Cb -0.15 -1.86 0.03 0.00 -0.34 0.00 0.00 43.02 40.69 2dfs s PHE 673 CO 0.05 0.13 -0.15 0.34 -1.46 0.00 0.00 175.22 174.13 2dfs s ASP 674 N -0.13 3.62 0.27 6.13 3.68 -0.05 -4.98 116.67 125.20 2dfs s ASP 674 Ca 0.03 -0.79 -0.03 0.00 2.13 0.00 0.00 52.55 53.89 2dfs s ASP 674 Cb -0.13 -1.54 0.36 0.00 -1.45 0.00 0.00 42.92 40.16 2dfs s ASP 674 CO 0.03 -0.05 1.83 -0.33 0.13 0.00 0.00 175.17 176.77 2dfs h GLU 675 N 7.93 0.93 -0.52 4.34 3.07 -1.88 0.13 114.58 128.59 2dfs h GLU 675 Ca -0.39 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.25 2dfs h GLU 675 Cb 1.12 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 2dfs h GLU 675 CO 0.60 0.79 0.12 0.87 -1.40 0.00 0.00 179.01 179.99 2dfs h LYS 676 N 0.90 0.83 -0.17 2.33 6.56 -1.87 -1.31 116.57 123.84 2dfs h LYS 676 Ca 0.21 -0.20 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2dfs h LYS 676 Cb 0.24 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 2dfs h LYS 676 CO -0.01 0.79 -0.05 -0.09 -2.06 0.00 0.00 179.45 178.03 2dfs h ARG 677 N 0.72 0.34 -0.59 3.15 9.65 -1.79 -3.13 114.38 122.74 2dfs h ARG 677 Ca 0.16 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2dfs h ARG 677 Cb 0.34 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 2dfs h ARG 677 CO 0.00 0.62 0.37 0.00 2.80 0.00 0.00 179.97 183.76 2dfs h ALA 678 N 0.71 0.74 -0.75 2.80 0.00 -0.67 -1.07 119.26 121.02 2dfs h ALA 678 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dfs h ALA 678 Cb 0.50 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2dfs h ALA 678 CO 0.02 0.20 0.32 -0.24 0.00 0.00 0.00 179.25 179.55 2dfs h VAL 679 N 0.79 1.25 -0.50 0.00 3.04 -1.35 -1.15 116.25 118.33 2dfs h VAL 679 Ca 0.21 -0.76 -0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2dfs h VAL 679 Cb -0.06 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 29.55 2dfs h VAL 679 CO -0.04 0.31 0.30 -0.61 -1.01 0.00 0.00 177.57 176.52 2dfs h GLN 680 N 1.08 0.69 -0.36 4.17 -0.00 -1.43 -2.07 115.11 117.19 2dfs h GLN 680 Ca 0.25 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.84 2dfs h GLN 680 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 2dfs h GLN 680 CO -0.02 0.51 0.23 1.96 0.00 0.00 0.00 178.83 181.50 2dfs h GLN 681 N 0.67 0.49 -0.60 1.69 1.08 -0.96 -2.73 115.11 114.76 2dfs h GLN 681 Ca 0.18 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2dfs h GLN 681 Cb -0.00 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2dfs h GLN 681 CO -0.03 0.36 0.11 -0.07 -0.95 0.00 0.00 178.83 178.24 2dfs h LEU 682 N 0.48 0.94 -0.44 1.46 3.38 -1.07 -2.97 115.31 117.09 2dfs h LEU 682 Ca 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2dfs h LEU 682 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2dfs h LEU 682 CO -0.03 0.95 0.23 0.03 0.09 0.00 0.00 178.44 179.72 2dfs h ARG 683 N 0.89 0.62 -0.37 1.13 3.08 -1.36 -2.83 114.38 115.54 2dfs h ARG 683 Ca 0.18 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2dfs h ARG 683 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2dfs h ARG 683 CO 0.01 0.51 0.00 0.00 -1.07 0.00 0.00 179.97 179.42 2dfs n ALA 684 N -2.28 2.56 0.23 0.04 0.00 -1.03 -2.72 120.51 117.31 2dfs n ALA 684 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 53.44 53.23 2dfs n ALA 684 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2dfs n ALA 684 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dfs n GLY 686 N 0.64 0.97 0.07 0.00 0.00 -1.10 -4.94 105.19 100.82 2dfs n GLY 686 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2dfs n GLY 686 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dfs h VAL 687 N 0.00 1.22 -0.48 1.61 2.07 -1.76 -0.55 116.25 118.36 2dfs h VAL 687 Ca 0.00 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 2dfs h VAL 687 Cb 0.00 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 2dfs h VAL 687 CO 0.00 0.20 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 2dfs h LEU 688 N -0.39 0.81 -0.42 2.57 3.38 -1.88 -1.32 115.31 118.05 2dfs h LEU 688 Ca -0.00 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2dfs h LEU 688 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2dfs h LEU 688 CO 0.01 0.90 -0.07 -0.08 0.09 0.00 0.00 178.44 179.29 2dfs h GLU 689 N 0.76 0.80 -0.57 1.13 4.57 -1.88 0.01 114.58 119.41 2dfs h GLU 689 Ca 0.14 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2dfs h GLU 689 Cb 0.53 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2dfs h GLU 689 CO 0.03 0.90 0.31 1.15 -1.18 0.00 0.00 179.01 180.23 2dfs h THR 690 N 0.62 1.00 -0.90 0.32 2.02 -0.90 -1.54 112.91 113.53 2dfs h THR 690 Ca 0.11 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2dfs h THR 690 Cb 0.59 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2dfs h THR 690 CO 0.04 0.11 0.53 0.40 0.37 0.00 0.00 175.52 176.97 2dfs h ILE 691 N 0.61 1.25 -1.00 3.11 2.04 -1.20 -1.62 117.51 120.69 2dfs h ILE 691 Ca 0.24 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2dfs h ILE 691 Cb 0.11 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.12 2dfs h ILE 691 CO -0.14 0.27 0.66 -0.09 0.00 0.00 0.00 178.15 178.85 2dfs h ARG 692 N 1.25 1.27 -0.19 2.37 2.43 -0.26 -2.25 114.38 119.01 2dfs h ARG 692 Ca 0.32 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2dfs h ARG 692 Cb -0.03 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 2dfs h ARG 692 CO -0.06 0.84 0.04 0.82 -1.51 0.00 0.00 179.97 180.11 2dfs h ILE 693 N 1.31 1.21 -0.61 1.20 1.08 -0.91 -3.31 117.51 117.48 2dfs h ILE 693 Ca 0.38 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 2dfs h ILE 693 Cb -0.08 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 2dfs h ILE 693 CO -0.10 0.20 0.41 0.28 -0.69 0.00 0.00 178.15 178.25 2dfs h SER 694 N 0.12 0.60 0.91 1.72 0.02 -0.94 -2.15 113.55 113.83 2dfs h SER 694 Ca 0.06 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2dfs h SER 694 Cb 0.27 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2dfs h SER 694 CO 0.00 0.41 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 2dfs h ALA 695 N 1.65 1.00 -0.57 3.77 0.00 -1.50 -3.16 119.26 120.45 2dfs h ALA 695 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2dfs h ALA 695 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2dfs h ALA 695 CO -0.07 0.00 0.14 0.00 0.00 0.00 0.00 179.25 179.32 2dfs h ALA 696 N 2.24 0.76 -3.00 0.00 0.00 -1.51 -3.38 119.26 114.37 2dfs h ALA 696 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dfs h ALA 696 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dfs h ALA 696 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2dfs n GLY 697 N -0.63 0.98 3.09 0.00 0.00 -1.19 -4.92 105.19 102.53 2dfs n GLY 697 Ca 0.03 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2dfs n GLY 697 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dfs s PHE 698 N 1.49 3.73 0.06 1.61 0.40 -1.26 -4.22 117.98 119.79 2dfs s PHE 698 Ca 0.00 -2.96 -0.09 0.00 -0.60 0.00 0.00 56.93 53.28 2dfs s PHE 698 Cb 0.00 -3.20 -0.30 0.00 0.51 0.00 0.00 43.02 40.03 2dfs s PHE 698 CO 0.00 -0.75 1.10 -1.00 0.70 0.00 0.00 175.22 175.27 2dfs h PRO 699 N 6.26 0.41 -6.02 0.24 0.13 -1.70 -3.42 132.00 127.89 2dfs h PRO 699 Ca 0.11 -0.66 -0.59 0.00 -0.87 0.00 0.00 66.00 63.99 2dfs h PRO 699 Cb 0.85 0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 2dfs h PRO 699 CO 0.80 1.31 0.68 -1.12 -0.23 0.00 0.00 178.00 179.44 2dfs s SER 700 N -7.33 6.93 -0.14 1.44 0.01 -1.12 -4.70 113.70 108.79 2dfs s SER 700 Ca -0.06 1.11 -0.01 0.00 1.31 0.00 0.00 55.95 58.31 2dfs s SER 700 Cb 0.06 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.82 2dfs s SER 700 CO 0.91 -0.68 -0.06 -0.13 0.41 0.00 0.00 173.24 173.69 2dfs s ARG 701 N 3.19 1.44 0.04 12.44 0.52 -1.26 -0.46 118.95 134.86 2dfs s ARG 701 Ca 0.41 -0.36 0.09 0.00 -0.52 0.00 0.00 55.73 55.35 2dfs s ARG 701 Cb -0.14 -1.75 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 2dfs s ARG 701 CO 0.10 -0.34 -0.26 -1.58 0.02 0.00 0.00 175.30 173.23 2dfs s TRP 702 N 1.69 2.28 0.83 -0.53 0.52 -0.99 -4.97 118.94 117.77 2dfs s TRP 702 Ca 0.03 -0.41 -0.11 0.00 0.02 0.00 0.00 56.10 55.62 2dfs s TRP 702 Cb -0.14 -1.38 0.09 0.00 -1.15 0.00 0.00 33.47 30.89 2dfs s TRP 702 CO -0.08 0.11 1.09 0.95 0.02 0.00 0.00 176.95 179.04 2dfs s THR 703 N -0.79 2.97 0.37 2.01 -4.23 -1.26 -0.73 115.64 113.97 2dfs s THR 703 Ca 0.11 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 2dfs s THR 703 Cb -0.10 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.03 2dfs s THR 703 CO 0.02 -0.41 1.99 1.88 -0.54 0.00 0.00 174.62 177.56 2dfs h TYR 704 N -1.25 0.62 -0.24 3.99 0.05 -1.91 -1.96 116.97 116.27 2dfs h TYR 704 Ca -0.48 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.27 2dfs h TYR 704 Cb 1.27 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2dfs h TYR 704 CO 0.46 0.45 0.05 0.37 -1.05 0.00 0.00 178.16 178.44 2dfs h GLN 705 N 0.65 0.40 -0.35 4.88 5.75 -1.93 -2.19 115.11 122.32 2dfs h GLN 705 Ca 0.17 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2dfs h GLN 705 Cb 0.04 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2dfs h GLN 705 CO -0.03 0.52 0.10 0.93 -2.65 0.00 0.00 178.83 177.70 2dfs h GLU 706 N 0.22 0.55 -0.45 1.69 3.07 -1.90 -2.47 114.58 115.30 2dfs h GLU 706 Ca 0.08 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2dfs h GLU 706 Cb 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2dfs h GLU 706 CO 0.00 0.59 0.29 0.35 -1.40 0.00 0.00 179.01 178.84 2dfs h PHE 707 N 0.42 0.57 -0.72 4.33 3.57 -1.41 -2.80 116.94 120.89 2dfs h PHE 707 Ca 0.11 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2dfs h PHE 707 Cb 0.27 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2dfs h PHE 707 CO 0.01 0.37 0.48 0.35 -2.23 0.00 0.00 178.31 177.29 2dfs h PHE 708 N 0.60 0.90 -0.08 0.41 3.57 -1.34 -2.08 116.94 118.91 2dfs h PHE 708 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2dfs h PHE 708 Cb -0.05 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 2dfs h PHE 708 CO -0.04 0.56 0.03 0.77 -2.23 0.00 0.00 178.31 177.40 2dfs h SER 709 N 0.97 0.12 0.24 0.41 0.02 -1.19 -0.94 113.55 113.17 2dfs h SER 709 Ca 0.27 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 2dfs h SER 709 Cb -0.09 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2dfs h SER 709 CO -0.07 0.26 -0.57 -0.09 -1.14 0.00 0.00 176.83 175.23 2dfs h ARG 710 N -0.03 0.35 -0.46 3.45 9.65 -1.50 -3.33 114.38 122.50 2dfs h ARG 710 Ca 0.03 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2dfs h ARG 710 Cb 0.18 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 2dfs h ARG 710 CO -0.00 0.82 0.00 0.66 2.80 0.00 0.00 179.97 184.25 2dfs n TYR 711 N -3.91 0.62 0.07 2.20 4.02 -0.79 -4.53 117.16 114.84 2dfs n TYR 711 Ca -0.03 -0.46 0.20 0.00 -0.01 0.00 0.00 57.90 57.60 2dfs n TYR 711 Cb 0.60 -0.02 0.74 0.00 -0.02 0.00 0.00 39.34 40.64 2dfs n TYR 711 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2dfs h ARG 712 N 2.94 0.00 -0.48 -0.72 9.65 -1.28 -0.99 114.38 123.49 2dfs h ARG 712 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2dfs h ARG 712 Cb 0.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2dfs h ARG 712 CO 0.00 0.00 0.00 1.55 2.80 0.00 0.00 179.97 184.32 2dfs n VAL 713 N -4.07 0.73 0.04 0.20 3.14 -1.26 -3.43 118.33 113.68 2dfs n VAL 713 Ca 0.07 -0.58 0.04 0.00 -2.96 0.00 0.00 64.34 60.91 2dfs n VAL 713 Cb 0.55 0.13 -0.06 0.00 -1.06 0.00 0.00 33.84 33.40 2dfs n VAL 713 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2dfs n LEU 714 N 0.60 0.04 -4.77 6.55 7.94 -0.38 -5.02 117.00 121.96 2dfs n LEU 714 Ca 0.14 -0.06 -0.39 0.00 -1.11 0.00 0.00 56.01 54.59 2dfs n LEU 714 Cb 0.43 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.36 2dfs n LEU 714 CO 0.11 0.01 0.87 -0.04 -1.11 0.00 0.00 177.39 177.23 2dfs s MET 715 N -2.45 4.08 0.36 1.96 -1.94 -1.22 -5.05 119.30 115.05 2dfs s MET 715 Ca -0.02 1.92 -0.25 0.00 -1.71 0.00 0.00 55.69 55.63 2dfs s MET 715 Cb 0.05 -2.74 -0.09 0.00 2.01 0.00 0.00 34.83 34.06 2dfs s MET 715 CO 0.32 -0.32 1.04 0.15 -0.01 0.00 0.00 175.02 176.20 2dfs s LYS 716 N -2.21 4.32 0.53 2.03 -0.14 -1.26 -4.95 119.74 118.06 2dfs s LYS 716 Ca 0.56 1.52 0.19 0.00 -1.36 0.00 0.00 55.97 56.88 2dfs s LYS 716 Cb -0.33 -2.70 1.32 0.00 -1.68 0.00 0.00 37.83 34.45 2dfs s LYS 716 CO 0.42 -0.00 2.12 0.37 -0.76 0.00 0.00 175.35 177.50 2dfs h GLN 717 N 2.85 0.00 -0.08 1.68 5.75 -1.96 -0.88 115.11 122.47 2dfs h GLN 717 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2dfs h GLN 717 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2dfs h GLN 717 CO 0.64 0.00 0.00 0.36 -2.65 0.00 0.00 178.83 177.18 2dfs n LYS 718 N -4.47 1.57 0.00 1.69 2.85 -1.26 -3.38 118.16 115.17 2dfs n LYS 718 Ca -0.00 -0.85 0.12 0.00 -1.05 0.00 0.00 58.31 56.53 2dfs n LYS 718 Cb 0.20 -1.42 0.22 0.00 -0.65 0.00 0.00 35.03 33.38 2dfs n LYS 718 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2dfs n ASP 719 N 0.05 2.34 -4.67 -5.58 9.92 -0.33 -4.88 116.55 113.39 2dfs n ASP 719 Ca 0.18 -1.73 -0.41 0.00 -0.53 0.00 0.00 54.79 52.30 2dfs n ASP 719 Cb 0.29 0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.79 2dfs n ASP 719 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dfs s VAL 720 N -2.09 4.96 0.43 2.53 1.01 -1.22 -4.83 120.40 121.19 2dfs s VAL 720 Ca 0.29 1.44 0.07 0.00 0.00 0.00 0.00 61.98 63.78 2dfs s VAL 720 Cb 0.20 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2dfs s VAL 720 CO 0.36 0.09 0.21 -0.76 0.00 0.00 0.00 175.10 175.00 2dfs s LEU 721 N 1.86 3.05 0.11 3.92 1.43 -1.26 -5.05 118.68 122.73 2dfs s LEU 721 Ca 0.35 -1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 52.15 2dfs s LEU 721 Cb -0.16 -1.42 -0.07 0.00 0.03 0.00 0.00 46.19 44.57 2dfs s LEU 721 CO 0.12 -0.63 1.68 -1.28 0.23 0.00 0.00 176.35 176.48 2dfs h SER 722 N 1.32 0.31 -2.98 2.29 0.87 -2.03 -3.39 113.55 109.94 2dfs h SER 722 Ca -0.42 -0.12 -0.53 0.00 -1.23 0.00 0.00 61.79 59.49 2dfs h SER 722 Cb 1.26 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2dfs h SER 722 CO 0.68 0.34 0.75 -0.62 -0.53 0.00 0.00 176.83 177.45 2dfs s ASP 723 N -5.58 6.85 0.05 6.23 2.15 -1.26 -4.93 116.67 120.19 2dfs s ASP 723 Ca -0.13 2.25 0.18 0.00 0.43 0.00 0.00 52.55 55.27 2dfs s ASP 723 Cb 0.08 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.98 2dfs s ASP 723 CO 0.71 -0.66 0.77 0.54 -0.17 0.00 0.00 175.17 176.36 2dfs n ARG 724 N 4.40 0.63 -0.03 4.34 1.74 -1.26 -3.03 116.66 123.44 2dfs n ARG 724 Ca 0.12 0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2dfs n ARG 724 Cb 0.43 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 30.02 2dfs n ARG 724 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2dfs h LYS 725 N 0.00 0.17 -0.53 5.56 3.64 -1.91 -2.89 116.57 120.61 2dfs h LYS 725 Ca -0.16 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2dfs h LYS 725 Cb 1.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.31 2dfs h LYS 725 CO 0.04 0.60 0.24 0.37 -2.27 0.00 0.00 179.45 178.43 2dfs h GLN 726 N -0.25 0.75 -0.44 1.90 5.75 -1.99 -2.53 115.11 118.30 2dfs h GLN 726 Ca 0.01 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2dfs h GLN 726 Cb 0.56 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 2dfs h GLN 726 CO 0.02 0.60 0.18 1.15 -2.65 0.00 0.00 178.83 178.13 2dfs h THR 727 N 0.75 0.91 -0.72 2.39 2.02 -1.54 -1.96 112.91 114.76 2dfs h THR 727 Ca 0.19 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2dfs h THR 727 Cb 0.10 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2dfs h THR 727 CO -0.02 0.07 0.32 0.00 0.37 0.00 0.00 175.52 176.25 2dfs h LYS 729 N 1.03 -0.30 -0.65 0.00 3.64 -1.07 -2.44 116.57 116.77 2dfs h LYS 729 Ca 0.25 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2dfs h LYS 729 Cb 0.15 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2dfs h LYS 729 CO -0.03 -0.20 0.34 -0.91 -2.27 0.00 0.00 179.45 176.38 2dfs h ASN 730 N -0.31 0.84 -0.23 4.20 2.35 -1.09 -3.07 115.58 118.27 2dfs h ASN 730 Ca 0.04 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2dfs h ASN 730 Cb 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2dfs h ASN 730 CO -0.14 0.71 -0.14 0.58 -1.65 0.00 0.00 177.43 176.79 2dfs h VAL 731 N 0.90 1.31 -0.51 2.81 2.07 -1.35 -3.30 116.25 118.18 2dfs h VAL 731 Ca 0.23 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 2dfs h VAL 731 Cb 0.08 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2dfs h VAL 731 CO -0.03 0.38 0.11 0.25 0.02 0.00 0.00 177.57 178.30 2dfs h LEU 732 N 0.20 0.73 -1.82 2.57 5.85 -1.43 -2.60 115.31 118.82 2dfs h LEU 732 Ca 0.05 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2dfs h LEU 732 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2dfs h LEU 732 CO 0.04 0.73 0.04 -0.62 -0.34 0.00 0.00 178.44 178.29 2dfs n GLU 733 N -4.28 1.25 -0.01 1.25 1.02 -1.16 -0.97 120.64 117.75 2dfs n GLU 733 Ca 0.04 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 2dfs n GLU 733 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2dfs n GLU 733 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dfs n LYS 734 N 0.22 0.00 0.00 3.49 5.02 -0.99 -4.89 118.16 121.01 2dfs n LYS 734 Ca 0.05 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 2dfs n LYS 734 Cb 0.51 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.19 2dfs n LYS 734 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2dfs n LEU 735 N 0.00 1.59 -4.09 -0.35 0.00 -0.85 -4.93 117.00 108.37 2dfs n LEU 735 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.69 2dfs n LEU 735 Cb 0.50 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.77 2dfs n LEU 735 CO 0.00 0.26 -0.48 -0.63 0.00 0.00 0.00 177.39 176.55 2dfs s ILE 736 N -1.53 2.16 -0.04 1.96 1.01 -0.14 -5.05 121.20 119.57 2dfs s ILE 736 Ca 0.00 -1.44 -0.23 0.00 0.00 0.00 0.00 60.65 58.98 2dfs s ILE 736 Cb 0.00 -2.18 -0.25 0.00 0.01 0.00 0.00 42.46 40.04 2dfs s ILE 736 CO 0.00 0.12 1.01 -0.07 0.00 0.00 0.00 174.94 176.00 2dfs h LEU 737 N 7.82 0.33 -9.51 2.97 3.38 -1.90 -3.40 115.31 115.00 2dfs h LEU 737 Ca -0.26 -0.81 -0.53 0.00 0.09 0.00 0.00 57.88 56.36 2dfs h LEU 737 Cb 1.07 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.74 2dfs h LEU 737 CO 0.51 1.11 0.84 -0.62 0.09 0.00 0.00 178.44 180.36 2dfs s ASP 738 N -6.53 6.73 0.00 -0.43 -1.08 -1.26 -4.90 116.67 109.20 2dfs s ASP 738 Ca -0.15 2.39 0.24 0.00 -0.52 0.00 0.00 52.55 54.51 2dfs s ASP 738 Cb 0.01 -2.58 0.28 0.00 -1.46 0.00 0.00 42.92 39.17 2dfs s ASP 738 CO 0.77 -0.75 1.30 1.17 0.52 0.00 0.00 175.17 178.18 2dfs n LYS 739 N 4.54 2.09 0.07 4.34 3.00 -1.26 -3.19 118.16 127.76 2dfs n LYS 739 Ca 0.13 -1.68 0.13 0.00 -0.00 0.00 0.00 58.31 56.89 2dfs n LYS 739 Cb 0.41 -1.47 0.48 0.00 0.00 0.00 0.00 35.03 34.45 2dfs n LYS 739 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2dfs n ASP 740 N 1.01 0.53 -0.00 3.14 -0.08 -1.26 -3.99 116.55 115.90 2dfs n ASP 740 Ca 0.14 0.54 0.14 0.00 -1.51 0.00 0.00 54.79 54.10 2dfs n ASP 740 Cb 0.55 -0.67 0.67 0.00 2.34 0.00 0.00 41.12 44.01 2dfs n ASP 740 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dfs n LYS 741 N -1.99 0.20 -3.51 -0.67 4.76 -1.19 -4.85 118.16 110.90 2dfs n LYS 741 Ca 0.06 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 2dfs n LYS 741 Cb 0.40 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.04 2dfs n LYS 741 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2dfs s TYR 742 N -2.81 -0.52 0.07 2.13 -0.85 -1.26 -1.62 117.35 112.50 2dfs s TYR 742 Ca 0.20 0.72 0.07 0.00 -0.52 0.00 0.00 57.07 57.54 2dfs s TYR 742 Cb 0.20 0.47 -0.03 0.00 0.38 0.00 0.00 41.96 42.97 2dfs s TYR 742 CO 0.50 -0.58 -0.19 -0.65 -1.52 0.00 0.00 175.55 173.11 2dfs s GLN 743 N -1.96 1.11 -0.41 -3.49 -1.52 -0.09 -4.96 119.66 108.34 2dfs s GLN 743 Ca -0.04 -1.00 -0.07 0.00 -1.95 0.00 0.00 55.36 52.30 2dfs s GLN 743 Cb -0.00 -1.25 0.09 0.00 -0.22 0.00 0.00 33.01 31.62 2dfs s GLN 743 CO 0.01 0.30 0.22 -0.06 -0.25 0.00 0.00 175.29 175.51 2dfs s PHE 744 N -1.03 3.39 0.10 0.91 0.08 -1.26 -0.99 117.98 119.19 2dfs s PHE 744 Ca 0.04 -1.79 -0.02 0.00 0.12 0.00 0.00 56.93 55.29 2dfs s PHE 744 Cb -0.09 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.42 2dfs s PHE 744 CO 0.03 -0.88 0.14 0.41 -0.10 0.00 0.00 175.22 174.82 2dfs n GLY 745 N 4.81 -1.06 0.08 4.36 0.00 -0.44 -4.93 105.19 108.01 2dfs n GLY 745 Ca -0.08 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2dfs n GLY 745 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dfs h LYS 746 N 0.00 0.14 0.00 1.61 3.64 -1.43 -3.39 116.57 117.14 2dfs h LYS 746 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2dfs h LYS 746 Cb 0.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2dfs h LYS 746 CO 0.03 0.36 0.00 0.25 -2.27 0.00 0.00 179.45 177.82 2dfs n THR 747 N -4.87 0.00 -4.37 1.00 -2.24 -1.26 -5.07 114.28 97.47 2dfs n THR 747 Ca -0.06 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 2dfs n THR 747 Cb 0.17 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 2dfs n THR 747 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2dfs s LYS 748 N -0.44 1.47 -0.11 -0.78 1.02 -1.26 -3.59 119.74 116.06 2dfs s LYS 748 Ca 0.00 -1.79 -0.00 0.00 0.02 0.00 0.00 55.97 54.20 2dfs s LYS 748 Cb 0.00 -0.63 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 2dfs s LYS 748 CO 0.00 -0.17 -0.09 0.42 -0.92 0.00 0.00 175.35 174.59 2dfs s ILE 749 N -3.45 3.50 -0.21 2.17 1.01 0.09 -1.33 121.20 122.98 2dfs s ILE 749 Ca 0.34 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 2dfs s ILE 749 Cb 0.07 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 2dfs s ILE 749 CO 0.12 0.55 -0.01 -0.36 0.00 0.00 0.00 174.94 175.24 2dfs s PHE 750 N -0.17 3.00 -0.05 3.97 2.99 -0.16 -2.35 117.98 125.20 2dfs s PHE 750 Ca 0.01 -0.69 0.05 0.00 0.00 0.00 0.00 56.93 56.31 2dfs s PHE 750 Cb -0.13 -2.11 -0.02 0.00 0.00 0.00 0.00 43.02 40.76 2dfs s PHE 750 CO 0.03 -0.41 -0.20 -0.06 -0.00 0.00 0.00 175.22 174.58 2dfs s PHE 751 N 1.30 2.54 0.92 0.36 0.08 0.39 -0.91 117.98 122.65 2dfs s PHE 751 Ca 0.04 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2dfs s PHE 751 Cb -0.15 -1.61 0.15 0.00 -0.57 0.00 0.00 43.02 40.85 2dfs s PHE 751 CO -0.00 -0.02 1.15 1.03 -0.10 0.00 0.00 175.22 177.28 2dfs s ARG 752 N -0.45 0.99 0.53 0.44 1.81 -0.64 -2.81 118.95 118.82 2dfs s ARG 752 Ca 0.05 1.57 -0.22 0.00 -1.72 0.00 0.00 55.73 55.42 2dfs s ARG 752 Cb -0.12 -1.72 -0.06 0.00 -0.45 0.00 0.00 34.95 32.60 2dfs s ARG 752 CO 0.01 -2.66 1.27 0.00 -0.68 0.00 0.00 175.30 173.24 2dfs n ALA 753 N -4.24 1.26 -0.42 2.13 0.00 -1.26 -2.78 120.51 115.19 2dfs n ALA 753 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2dfs n ALA 753 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2dfs n ALA 753 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dfs n GLY 754 N 0.87 1.54 0.13 0.00 0.00 0.27 -4.89 105.19 103.11 2dfs n GLY 754 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2dfs n GLY 754 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2dfs h GLN 755 N 1.87 0.39 -0.39 1.61 1.08 -1.79 -2.35 115.11 115.54 2dfs h GLN 755 Ca 0.00 -0.67 -0.06 0.00 -1.45 0.00 0.00 58.65 56.47 2dfs h GLN 755 Cb 0.00 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2dfs h GLN 755 CO 0.00 1.32 -0.00 0.28 -0.95 0.00 0.00 178.83 179.48 2dfs h VAL 756 N -0.14 1.22 -0.74 -0.54 2.07 -1.90 -0.93 116.25 115.28 2dfs h VAL 756 Ca -0.22 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.44 2dfs h VAL 756 Cb 1.89 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2dfs h VAL 756 CO 0.19 0.30 0.47 0.00 0.02 0.00 0.00 177.57 178.56 2dfs h ALA 757 N 1.41 0.96 -0.86 1.67 0.00 -1.91 -1.06 119.26 119.47 2dfs h ALA 757 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dfs h ALA 757 Cb 0.38 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2dfs h ALA 757 CO 0.01 0.29 0.49 -0.92 0.00 0.00 0.00 179.25 179.12 2dfs h TYR 758 N 0.94 1.15 -0.53 0.00 3.20 -0.81 0.17 116.97 121.10 2dfs h TYR 758 Ca 0.29 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.15 2dfs h TYR 758 Cb -0.03 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 37.84 2dfs h TYR 758 CO -0.03 0.79 0.35 -0.07 -1.64 0.00 0.00 178.16 177.55 2dfs h LEU 759 N 1.18 0.60 -0.97 2.82 3.38 -0.77 -0.67 115.31 120.87 2dfs h LEU 759 Ca 0.30 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 2dfs h LEU 759 Cb -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2dfs h LEU 759 CO -0.05 0.43 0.01 -0.33 0.09 0.00 0.00 178.44 178.59 2dfs h GLU 760 N 0.71 0.76 -0.22 1.13 4.39 -1.03 -1.42 114.58 118.89 2dfs h GLU 760 Ca 0.19 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.72 2dfs h GLU 760 Cb -0.08 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.46 2dfs h GLU 760 CO -0.04 0.76 0.08 -0.22 -1.16 0.00 0.00 179.01 178.43 2dfs h LYS 761 N 0.71 0.18 0.00 2.33 1.63 -0.25 0.70 116.57 121.87 2dfs h LYS 761 Ca 0.14 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 2dfs h LYS 761 Cb 0.42 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2dfs h LYS 761 CO 0.02 0.12 -0.28 -0.84 -3.45 0.00 0.00 179.45 175.02 2dfs h ILE 762 N 0.19 0.52 -0.46 2.00 3.07 -1.03 0.52 117.51 122.32 2dfs h ILE 762 Ca 0.10 -1.55 -0.04 0.00 1.55 0.00 0.00 64.86 64.92 2dfs h ILE 762 Cb 0.06 2.11 -0.02 0.00 -0.27 0.00 0.00 36.82 38.70 2dfs h ILE 762 CO -0.10 0.27 0.12 -0.09 -1.05 0.00 0.00 178.15 177.31 2dfs h ARG 763 N 0.00 0.73 -0.64 0.16 2.43 -1.17 -0.81 114.38 115.09 2dfs h ARG 763 Ca -0.00 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2dfs h ARG 763 Cb 1.09 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 2dfs h ARG 763 CO 0.04 0.72 0.36 0.00 -1.51 0.00 0.00 179.97 179.57 2dfs h ALA 764 N 0.98 0.82 -0.50 2.80 0.00 -0.33 -2.80 119.26 120.23 2dfs h ALA 764 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dfs h ALA 764 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2dfs h ALA 764 CO -0.00 0.33 0.26 -0.44 0.00 0.00 0.00 179.25 179.39 2dfs h ASP 765 N 0.87 0.38 -0.56 0.00 3.32 0.20 0.49 116.42 121.12 2dfs h ASP 765 Ca 0.23 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2dfs h ASP 765 Cb 0.03 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2dfs h ASP 765 CO -0.04 0.26 0.09 0.50 -1.72 0.00 0.00 179.24 178.33 2dfs h LYS 766 N 0.50 0.93 -0.60 3.56 3.64 -1.11 0.33 116.57 123.82 2dfs h LYS 766 Ca 0.22 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2dfs h LYS 766 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2dfs h LYS 766 CO -0.14 0.89 0.14 -0.07 -2.27 0.00 0.00 179.45 177.99 2dfs h LEU 767 N 0.82 0.93 -0.58 5.20 4.07 -1.29 -1.39 115.31 123.06 2dfs h LEU 767 Ca 0.17 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 2dfs h LEU 767 Cb 0.41 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 2dfs h LEU 767 CO 0.01 0.93 0.03 0.08 -1.08 0.00 0.00 178.44 178.41 2dfs h ARG 768 N 0.88 1.00 -0.28 1.13 0.11 -0.59 -2.96 114.38 113.68 2dfs h ARG 768 Ca 0.19 -0.30 -0.06 0.00 0.10 0.00 0.00 59.98 59.90 2dfs h ARG 768 Cb 0.37 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.33 2dfs h ARG 768 CO 0.00 0.98 -0.09 0.00 0.10 0.00 0.00 179.97 180.97 2dfs h ALA 769 N 0.98 1.33 -0.75 0.08 0.00 -0.35 -3.05 119.26 117.50 2dfs h ALA 769 Ca 0.17 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dfs h ALA 769 Cb 0.51 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2dfs h ALA 769 CO 0.02 0.45 0.50 0.00 0.00 0.00 0.00 179.25 180.23 2dfs h ALA 770 N 1.48 1.51 -0.56 0.00 0.00 -1.09 -2.81 119.26 117.79 2dfs h ALA 770 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2dfs h ALA 770 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2dfs h ALA 770 CO 0.02 0.43 0.13 0.00 0.00 0.00 0.00 179.25 179.83 2dfs h ILE 772 N 0.81 1.17 -0.91 0.00 2.04 -1.54 0.15 117.51 119.22 2dfs h ILE 772 Ca 0.18 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.67 2dfs h ILE 772 Cb 0.36 -0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 2dfs h ILE 772 CO 0.00 0.22 0.58 -0.09 0.00 0.00 0.00 178.15 178.87 2dfs h ARG 773 N 1.20 1.07 0.03 2.37 9.65 -1.44 0.45 114.38 127.71 2dfs h ARG 773 Ca 0.38 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 59.04 2dfs h ARG 773 Cb 0.01 -0.24 0.01 0.00 -1.39 0.00 0.00 29.97 28.36 2dfs h ARG 773 CO -0.12 0.71 -0.61 0.82 2.80 0.00 0.00 179.97 183.57 2dfs h ILE 774 N 1.10 1.46 -0.62 1.20 2.04 -1.08 -3.25 117.51 118.35 2dfs h ILE 774 Ca 0.38 -2.16 0.04 0.00 1.00 0.00 0.00 64.86 64.11 2dfs h ILE 774 Cb 0.08 2.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 2dfs h ILE 774 CO -0.14 0.62 0.37 1.56 0.00 0.00 0.00 178.15 180.56 2dfs h GLN 775 N -0.19 0.70 -0.71 2.37 4.20 -0.60 -1.91 115.11 118.97 2dfs h GLN 775 Ca -0.08 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 2dfs h GLN 775 Cb 1.35 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 2dfs h GLN 775 CO 0.12 0.46 0.20 1.57 -0.67 0.00 0.00 178.83 180.51 2dfs h LYS 776 N 0.72 1.11 -0.47 1.46 2.10 -1.05 -0.68 116.57 119.75 2dfs h LYS 776 Ca 0.26 -0.24 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2dfs h LYS 776 Cb 0.06 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.21 2dfs h LYS 776 CO -0.12 0.96 0.30 1.15 -2.00 0.00 0.00 179.45 179.73 2dfs h THR 777 N 1.06 1.14 -0.51 0.07 2.02 -1.50 -0.50 112.91 114.68 2dfs h THR 777 Ca 0.23 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2dfs h THR 777 Cb 0.33 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2dfs h THR 777 CO -0.00 0.14 0.22 0.40 0.37 0.00 0.00 175.52 176.64 2dfs h ILE 778 N 0.63 1.21 0.00 3.11 2.04 -1.18 -1.00 117.51 122.32 2dfs h ILE 778 Ca 0.17 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2dfs h ILE 778 Cb -0.03 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2dfs h ILE 778 CO -0.03 0.24 0.00 -2.11 0.00 0.00 0.00 178.15 176.24 2dfs n ARG 779 N -4.56 0.20 0.10 2.37 1.85 -0.28 -1.13 116.66 115.21 2dfs n ARG 779 Ca 0.02 0.33 -0.20 0.00 -1.00 0.00 0.00 57.85 56.99 2dfs n ARG 779 Cb 0.14 -1.82 -0.15 0.00 -1.05 0.00 0.00 32.46 29.58 2dfs n ARG 779 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2dfs h GLY 780 N 3.15 0.43 0.90 2.89 0.00 -0.89 -3.26 103.07 106.28 2dfs h GLY 780 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.23 2dfs h GLY 780 CO 0.00 0.96 -0.20 -0.25 0.00 0.00 0.00 176.54 177.04 2dfs h TRP 781 N 0.10 -0.52 -0.46 5.60 7.01 -0.61 -2.40 115.95 124.67 2dfs h TRP 781 Ca -0.25 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.66 2dfs h TRP 781 Cb 2.08 0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 29.30 2dfs h TRP 781 CO 0.09 -0.31 -0.06 1.25 -2.79 0.00 0.00 178.44 176.62 2dfs h LEU 782 N -0.50 0.77 -0.50 0.65 6.46 -1.32 -1.50 115.31 119.36 2dfs h LEU 782 Ca -0.03 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.50 2dfs h LEU 782 Cb 0.42 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2dfs h LEU 782 CO 0.03 0.87 0.24 0.24 -0.62 0.00 0.00 178.44 179.20 2dfs h MET 783 N 0.73 0.73 -0.49 1.25 2.86 -1.60 -0.39 114.93 118.02 2dfs h MET 783 Ca 0.13 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 2dfs h MET 783 Cb 0.52 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2dfs h MET 783 CO 0.03 0.61 0.19 0.00 1.06 0.00 0.00 176.91 178.80 2dfs h ARG 784 N 0.67 0.71 -0.76 1.72 3.08 -1.12 -0.36 114.38 118.31 2dfs h ARG 784 Ca 0.17 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2dfs h ARG 784 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2dfs h ARG 784 CO -0.02 0.59 0.29 0.87 -1.07 0.00 0.00 179.97 180.63 2dfs h LYS 785 N 0.70 1.15 -0.52 0.04 1.57 -1.00 -1.59 116.57 116.92 2dfs h LYS 785 Ca 0.17 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2dfs h LYS 785 Cb 0.15 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2dfs h LYS 785 CO -0.02 0.94 0.22 -0.22 -0.57 0.00 0.00 179.45 179.81 2dfs h LYS 786 N 1.11 0.76 -0.32 3.15 3.64 -0.58 -2.97 116.57 121.36 2dfs h LYS 786 Ca 0.25 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2dfs h LYS 786 Cb 0.23 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2dfs h LYS 786 CO -0.02 0.66 0.16 -0.92 -2.27 0.00 0.00 179.45 177.06 2dfs h TYR 787 N 0.69 0.29 0.00 1.91 3.20 -0.99 -1.59 116.97 120.48 2dfs h TYR 787 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2dfs h TYR 787 Cb 0.17 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2dfs h TYR 787 CO 0.00 0.16 0.00 0.00 -1.64 0.00 0.00 178.16 176.68 2dfs h MET 788 N 0.33 0.00 0.04 1.82 -0.00 -1.28 -0.67 114.93 115.16 2dfs h MET 788 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.73 2dfs h MET 788 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.66 2dfs h MET 788 CO -0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 176.91 176.37 2dfs h ARG 789 N 0.00 0.22 0.00 -0.10 3.08 -1.34 -3.34 114.38 112.91 2dfs h ARG 789 Ca 0.00 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 2dfs h ARG 789 Cb 0.51 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2dfs h ARG 789 CO 0.00 1.07 -0.43 0.00 -1.07 0.00 0.00 179.97 179.54 2dfs h MET 790 N -0.48 0.00 0.00 0.04 -0.00 -0.80 -1.12 114.93 112.58 2dfs h MET 790 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.62 2dfs h MET 790 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2dfs h MET 790 CO 0.08 0.43 -0.05 0.00 -0.00 0.00 0.00 176.91 177.37 2dfs h ARG 791 N 0.00 0.00 -0.49 -0.10 3.08 -1.34 -2.14 114.38 113.40 2dfs h ARG 791 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dfs h ARG 791 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2dfs h ARG 791 CO 0.06 0.05 0.00 2.89 -1.07 0.00 0.00 179.97 181.90 2dfs n ARG 792 N -3.78 1.82 -0.11 0.04 1.85 -0.43 -1.38 116.66 114.67 2dfs n ARG 792 Ca -0.02 -0.91 -0.15 0.00 -1.00 0.00 0.00 57.85 55.76 2dfs n ARG 792 Cb 0.15 -1.41 -0.14 0.00 -1.05 0.00 0.00 32.46 30.02 2dfs n ARG 792 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2dfs n ALA 793 N 0.20 1.45 -0.02 2.89 0.00 -0.81 -4.16 120.51 120.05 2dfs n ALA 793 Ca 0.08 -1.18 -0.12 0.00 0.00 0.00 0.00 53.44 52.22 2dfs n ALA 793 Cb 0.34 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 2dfs n ALA 793 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dfs h ALA 794 N 0.42 0.14 -0.84 0.00 0.00 -1.42 -2.67 119.26 114.88 2dfs h ALA 794 Ca -0.56 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2dfs h ALA 794 Cb 2.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 2dfs h ALA 794 CO -0.04 -0.24 0.42 -0.84 0.00 0.00 0.00 179.25 178.55 2dfs h ILE 795 N -0.03 1.25 -0.14 0.00 3.07 -1.47 -0.54 117.51 119.65 2dfs h ILE 795 Ca 0.03 -0.69 -0.02 0.00 1.55 0.00 0.00 64.86 65.73 2dfs h ILE 795 Cb 0.23 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.95 2dfs h ILE 795 CO -0.00 0.30 0.01 0.71 -1.05 0.00 0.00 178.15 178.12 2dfs h THR 796 N 1.18 1.23 -0.94 0.16 1.35 -1.72 -2.22 112.91 111.95 2dfs h THR 796 Ca 0.29 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.42 2dfs h THR 796 Cb 0.10 1.46 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 2dfs h THR 796 CO -0.04 0.22 0.62 0.40 -0.25 0.00 0.00 175.52 176.48 2dfs h ILE 797 N -0.00 1.20 -0.84 6.82 1.08 -1.24 -1.55 117.51 122.98 2dfs h ILE 797 Ca 0.04 -0.42 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2dfs h ILE 797 Cb 0.33 -0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 33.88 2dfs h ILE 797 CO 0.00 0.23 0.55 1.56 -0.69 0.00 0.00 178.15 179.80 2dfs h GLN 798 N 1.23 0.92 -0.29 2.37 4.20 -0.94 0.80 115.11 123.41 2dfs h GLN 798 Ca 0.36 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 2dfs h GLN 798 Cb -0.07 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 2dfs h GLN 798 CO -0.10 0.61 0.08 0.00 -0.67 0.00 0.00 178.83 178.76 2dfs h ARG 799 N 0.95 0.46 -0.56 1.46 3.08 -0.67 -2.58 114.38 116.51 2dfs h ARG 799 Ca 0.35 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 2dfs h ARG 799 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2dfs h ARG 799 CO -0.12 0.53 0.04 1.88 -1.07 0.00 0.00 179.97 181.22 2dfs h TYR 800 N 0.30 1.01 -0.74 3.04 0.05 -0.86 -2.06 116.97 117.70 2dfs h TYR 800 Ca 0.09 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 2dfs h TYR 800 Cb 0.27 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2dfs h TYR 800 CO 0.01 0.89 0.39 -0.39 -1.05 0.00 0.00 178.16 178.01 2dfs h VAL 801 N 0.88 1.23 0.00 -2.88 -1.51 -0.90 -0.90 116.25 112.16 2dfs h VAL 801 Ca 0.17 -0.60 -0.01 0.00 -1.23 0.00 0.00 66.70 65.02 2dfs h VAL 801 Cb 0.47 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.89 2dfs h VAL 801 CO 0.02 0.26 -0.07 0.03 -1.23 0.00 0.00 177.57 176.59 2dfs h ARG 802 N 1.03 0.00 -0.11 5.19 3.08 -1.19 -0.08 114.38 122.30 2dfs h ARG 802 Ca 0.26 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.18 2dfs h ARG 802 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2dfs h ARG 802 CO -0.04 0.07 -0.45 0.78 -1.07 0.00 0.00 179.97 179.26 2dfs h GLY 803 N 0.20 0.55 0.99 0.04 0.00 -0.99 -3.22 103.07 100.64 2dfs h GLY 803 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.58 2dfs h GLY 803 CO 0.01 0.67 0.05 0.84 0.00 0.00 0.00 176.54 178.11 2dfs h HIS 804 N 0.10 0.09 -0.59 5.60 6.17 -0.38 -2.26 115.15 123.87 2dfs h HIS 804 Ca -0.02 0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 2dfs h HIS 804 Cb 1.09 -0.03 -0.03 0.00 2.52 0.00 0.00 27.41 30.96 2dfs h HIS 804 CO 0.11 0.06 0.34 -0.56 0.71 0.00 0.00 177.93 178.59 2dfs h GLN 805 N 0.10 0.82 -0.63 5.26 3.07 -1.19 -0.45 115.11 122.09 2dfs h GLN 805 Ca 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 2dfs h GLN 805 Cb -0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 27.48 27.36 2dfs h GLN 805 CO -0.01 0.61 0.28 0.00 0.09 0.00 0.00 178.83 179.80 2dfs h ALA 806 N 1.16 0.82 -0.46 0.06 0.00 -1.55 0.25 119.26 119.55 2dfs h ALA 806 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dfs h ALA 806 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2dfs h ALA 806 CO -0.04 0.41 0.14 0.00 0.00 0.00 0.00 179.25 179.76 2dfs h ARG 807 N 0.88 0.72 -0.40 0.00 3.08 -1.17 -1.47 114.38 116.02 2dfs h ARG 807 Ca 0.21 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2dfs h ARG 807 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2dfs h ARG 807 CO -0.02 0.69 0.17 0.00 -1.07 0.00 0.00 179.97 179.74 2dfs h TYR 809 N 0.50 0.40 -0.49 0.00 3.20 -0.95 -0.98 116.97 118.64 2dfs h TYR 809 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2dfs h TYR 809 Cb 0.16 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2dfs h TYR 809 CO -0.01 0.14 0.28 0.00 -1.64 0.00 0.00 178.16 176.93 2dfs h ALA 810 N 1.36 0.63 -0.70 1.82 0.00 -0.95 -1.56 119.26 119.86 2dfs h ALA 810 Ca 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dfs h ALA 810 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2dfs h ALA 810 CO -0.25 0.13 0.42 1.79 0.00 0.00 0.00 179.25 181.34 2dfs h THR 811 N 0.65 1.20 -0.51 0.00 1.35 -0.37 -0.71 112.91 114.52 2dfs h THR 811 Ca 0.17 -0.46 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2dfs h THR 811 Cb 0.02 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 66.65 2dfs h THR 811 CO -0.03 0.21 0.31 -0.26 -0.25 0.00 0.00 175.52 175.50 2dfs h PHE 812 N 0.96 0.68 -0.76 4.73 0.04 -1.10 -0.75 116.94 120.74 2dfs h PHE 812 Ca 0.25 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 2dfs h PHE 812 Cb -0.02 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 2dfs h PHE 812 CO -0.01 0.48 0.36 -0.07 -0.60 0.00 0.00 178.31 178.47 2dfs h LEU 813 N 0.69 0.99 -0.69 1.54 3.38 -1.03 -0.73 115.31 119.45 2dfs h LEU 813 Ca 0.18 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2dfs h LEU 813 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2dfs h LEU 813 CO -0.03 0.84 0.10 0.03 0.09 0.00 0.00 178.44 179.46 2dfs h ARG 814 N 1.08 1.10 -0.56 1.13 3.08 -0.93 0.73 114.38 120.01 2dfs h ARG 814 Ca 0.26 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2dfs h ARG 814 Cb 0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2dfs h ARG 814 CO -0.03 1.01 0.32 0.00 -1.07 0.00 0.00 179.97 180.20 2dfs h ARG 815 N 1.03 0.78 -0.46 0.04 3.08 -0.80 0.50 114.38 118.55 2dfs h ARG 815 Ca 0.20 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2dfs h ARG 815 Cb 0.45 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2dfs h ARG 815 CO 0.01 0.58 -0.02 1.79 -1.07 0.00 0.00 179.97 181.27 2dfs h THR 816 N 0.76 1.26 -0.74 2.04 1.35 -1.07 -2.21 112.91 114.30 2dfs h THR 816 Ca 0.20 -1.08 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 2dfs h THR 816 Cb 0.02 1.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 2dfs h THR 816 CO -0.03 0.37 0.34 0.03 -0.25 0.00 0.00 175.52 175.98 2dfs h ARG 817 N 0.67 1.07 -0.93 4.72 3.08 -0.77 -1.08 114.38 121.15 2dfs h ARG 817 Ca 0.13 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2dfs h ARG 817 Cb 0.53 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2dfs h ARG 817 CO 0.03 0.85 0.55 0.00 -1.07 0.00 0.00 179.97 180.33 2dfs h ALA 818 N 1.17 1.22 -0.17 0.04 0.00 -0.89 -1.91 119.26 118.72 2dfs h ALA 818 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dfs h ALA 818 Cb 0.14 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dfs h ALA 818 CO -0.03 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.94 2dfs h ALA 819 N 1.32 0.22 -0.33 0.00 0.00 -1.16 -2.99 119.26 116.32 2dfs h ALA 819 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dfs h ALA 819 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2dfs h ALA 819 CO -0.06 -0.18 0.21 -0.84 0.00 0.00 0.00 179.25 178.38 2dfs h ILE 820 N 0.11 1.10 -0.54 0.00 3.07 -0.94 -1.93 117.51 118.37 2dfs h ILE 820 Ca 0.06 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 66.25 2dfs h ILE 820 Cb 0.20 0.64 -0.03 0.00 -0.27 0.00 0.00 36.82 37.36 2dfs h ILE 820 CO -0.00 0.10 0.30 0.16 -1.05 0.00 0.00 178.15 177.66 2dfs h ILE 821 N 0.44 1.18 -0.35 0.16 3.07 -1.43 -0.90 117.51 119.67 2dfs h ILE 821 Ca 0.12 -0.44 -0.12 0.00 1.55 0.00 0.00 64.86 65.97 2dfs h ILE 821 Cb -0.02 0.49 -0.01 0.00 -0.27 0.00 0.00 36.82 37.00 2dfs h ILE 821 CO -0.02 0.19 -0.26 0.16 -1.05 0.00 0.00 178.15 177.17 2dfs h ILE 822 N 0.72 1.27 -0.80 0.16 3.07 -1.36 0.74 117.51 121.32 2dfs h ILE 822 Ca 0.19 -1.37 -0.01 0.00 1.55 0.00 0.00 64.86 65.22 2dfs h ILE 822 Cb 0.03 1.29 -0.04 0.00 -0.27 0.00 0.00 36.82 37.83 2dfs h ILE 822 CO -0.03 0.45 0.45 1.56 -1.05 0.00 0.00 178.15 179.53 2dfs h GLN 823 N 0.61 1.10 -0.34 0.16 4.20 -1.15 -1.60 115.11 118.09 2dfs h GLN 823 Ca 0.08 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2dfs h GLN 823 Cb 0.76 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2dfs h GLN 823 CO 0.06 0.80 0.01 -0.22 -0.67 0.00 0.00 178.83 178.82 2dfs h LYS 824 N 1.10 0.59 -0.76 1.46 3.11 -0.81 -1.41 116.57 119.85 2dfs h LYS 824 Ca 0.28 -0.18 0.04 0.00 -2.81 0.00 0.00 60.65 57.98 2dfs h LYS 824 Cb 0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.14 2dfs h LYS 824 CO -0.05 0.70 0.50 0.74 -2.81 0.00 0.00 179.45 178.54 2dfs h PHE 825 N 0.40 0.88 -0.25 1.91 0.04 -0.58 -0.93 116.94 118.41 2dfs h PHE 825 Ca 0.10 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2dfs h PHE 825 Cb 0.43 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2dfs h PHE 825 CO 0.03 0.51 0.02 0.37 -0.60 0.00 0.00 178.31 178.64 2dfs h GLN 826 N 0.91 0.43 -0.45 1.51 4.15 -1.15 -2.07 115.11 118.43 2dfs h GLN 826 Ca 0.31 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.49 2dfs h GLN 826 Cb 0.08 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2dfs h GLN 826 CO -0.09 0.58 -0.16 0.00 -1.93 0.00 0.00 178.83 177.23 2dfs h ARG 827 N 0.23 0.86 -0.36 1.69 3.08 -0.74 0.21 114.38 119.35 2dfs h ARG 827 Ca 0.07 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 2dfs h ARG 827 Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2dfs h ARG 827 CO 0.01 0.96 0.19 0.00 -1.07 0.00 0.00 179.97 180.06 2dfs h MET 828 N 0.76 0.50 -0.44 0.04 -0.00 -1.26 -2.93 114.93 111.61 2dfs h MET 828 Ca 0.12 -0.06 -0.05 0.00 -0.00 0.00 0.00 59.70 59.70 2dfs h MET 828 Cb 0.68 -0.10 -0.02 0.00 -0.00 0.00 0.00 31.60 32.17 2dfs h MET 828 CO 0.05 0.43 0.06 -0.92 -0.00 0.00 0.00 176.91 176.53 2dfs h TYR 829 N 0.45 0.78 -0.80 -0.10 3.20 -1.18 -2.93 116.97 116.40 2dfs h TYR 829 Ca 0.13 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2dfs h TYR 829 Cb 0.07 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 2dfs h TYR 829 CO -0.02 0.75 0.32 -0.24 -1.64 0.00 0.00 178.16 177.33 2dfs h VAL 830 N 0.59 1.26 -0.23 1.81 3.04 -0.60 -1.84 116.25 120.27 2dfs h VAL 830 Ca 0.13 -0.82 -0.05 0.00 -1.01 0.00 0.00 66.70 64.95 2dfs h VAL 830 Cb 0.39 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 2dfs h VAL 830 CO 0.01 0.34 -0.05 -0.37 -1.01 0.00 0.00 177.57 176.49 2dfs h VAL 831 N 1.16 1.28 -0.72 1.51 -1.51 -1.57 -3.18 116.25 113.22 2dfs h VAL 831 Ca 0.27 -1.04 -0.05 0.00 -1.23 0.00 0.00 66.70 64.65 2dfs h VAL 831 Cb 0.21 1.48 -0.03 0.00 -2.13 0.00 0.00 31.29 30.82 2dfs h VAL 831 CO -0.02 0.32 0.25 0.03 -1.23 0.00 0.00 177.57 176.92 2dfs h ARG 832 N 0.19 1.11 -0.40 5.19 3.08 -1.33 -2.55 114.38 119.67 2dfs h ARG 832 Ca 0.06 -0.23 0.06 0.00 0.07 0.00 0.00 59.98 59.94 2dfs h ARG 832 Cb 0.50 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 2dfs h ARG 832 CO 0.02 0.94 0.11 0.87 -1.07 0.00 0.00 179.97 180.84 2dfs h LYS 833 N 1.06 0.25 -0.49 0.04 1.57 -1.41 -0.23 116.57 117.36 2dfs h LYS 833 Ca 0.24 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2dfs h LYS 833 Cb 0.27 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2dfs h LYS 833 CO -0.01 0.16 0.01 -0.09 -0.57 0.00 0.00 179.45 178.95 2dfs h ARG 834 N 0.25 0.86 -0.24 3.15 2.43 -1.48 -1.67 114.38 117.68 2dfs h ARG 834 Ca 0.19 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2dfs h ARG 834 Cb 0.20 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2dfs h ARG 834 CO -0.22 0.89 -0.21 1.88 -1.51 0.00 0.00 179.97 180.80 2dfs h TYR 835 N 0.72 0.67 -0.19 2.20 -1.99 -1.38 -2.77 116.97 114.23 2dfs h TYR 835 Ca 0.14 -0.19 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 2dfs h TYR 835 Cb 0.50 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 2dfs h TYR 835 CO 0.04 0.88 0.11 0.37 -0.00 0.00 0.00 178.16 179.55 2dfs h GLN 836 N 0.27 0.26 -0.69 4.88 4.15 -0.98 -0.71 115.11 122.29 2dfs h GLN 836 Ca 0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 2dfs h GLN 836 Cb 0.75 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 2dfs h GLN 836 CO 0.05 0.25 0.25 0.00 -1.93 0.00 0.00 178.83 177.45 2dfs h MET 838 N 1.01 0.99 -0.58 0.00 1.85 -1.39 -1.00 114.93 115.81 2dfs h MET 838 Ca 0.23 -0.22 -0.04 0.00 -0.61 0.00 0.00 59.70 59.06 2dfs h MET 838 Cb 0.23 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 2dfs h MET 838 CO -0.02 0.88 0.20 -0.09 -0.40 0.00 0.00 176.91 177.48 2dfs h ARG 839 N 0.92 0.90 -0.64 0.39 2.43 -0.50 -1.57 114.38 116.31 2dfs h ARG 839 Ca 0.20 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2dfs h ARG 839 Cb 0.30 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2dfs h ARG 839 CO -0.01 0.80 0.34 -0.44 -1.51 0.00 0.00 179.97 179.16 2dfs h ASP 840 N 0.82 0.80 -0.89 -3.80 3.45 -0.77 -0.00 116.42 116.03 2dfs h ASP 840 Ca 0.19 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.55 2dfs h ASP 840 Cb 0.26 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 38.79 2dfs h ASP 840 CO -0.01 0.67 0.57 0.00 -1.57 0.00 0.00 179.24 178.90 2dfs h ALA 841 N 1.16 1.13 -0.57 3.45 0.00 -1.11 -1.30 119.26 122.02 2dfs h ALA 841 Ca 0.22 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2dfs h ALA 841 Cb 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2dfs h ALA 841 CO -0.04 0.55 0.00 1.79 0.00 0.00 0.00 179.25 181.56 2dfs h THR 842 N 1.21 1.26 -0.68 0.00 1.35 -0.99 -2.33 112.91 112.73 2dfs h THR 842 Ca 0.32 -1.12 -0.08 0.00 -0.55 0.00 0.00 66.41 64.98 2dfs h THR 842 Cb -0.11 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.14 2dfs h THR 842 CO -0.07 0.40 0.12 0.16 -0.25 0.00 0.00 175.52 175.89 2dfs h ILE 843 N 0.89 1.26 -0.68 6.82 3.07 -0.75 -1.89 117.51 126.24 2dfs h ILE 843 Ca 0.16 -1.03 0.02 0.00 1.55 0.00 0.00 64.86 65.55 2dfs h ILE 843 Cb 0.54 0.61 -0.04 0.00 -0.27 0.00 0.00 36.82 37.66 2dfs h ILE 843 CO 0.03 0.39 0.44 0.00 -1.05 0.00 0.00 178.15 177.96 2dfs h ALA 844 N 1.06 0.87 -0.75 0.16 0.00 -1.25 0.27 119.26 119.62 2dfs h ALA 844 Ca 0.21 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dfs h ALA 844 Cb 0.43 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2dfs h ALA 844 CO 0.01 0.25 0.48 1.25 0.00 0.00 0.00 179.25 181.24 2dfs h LEU 845 N 0.88 0.81 0.00 0.00 5.85 -1.24 -0.74 115.31 120.88 2dfs h LEU 845 Ca 0.26 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2dfs h LEU 845 Cb -0.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 2dfs h LEU 845 CO -0.08 0.57 -0.61 0.06 -0.34 0.00 0.00 178.44 178.04 2dfs h GLN 846 N 0.96 0.00 -0.13 1.25 3.07 -1.04 -0.85 115.11 118.37 2dfs h GLN 846 Ca 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.98 2dfs h GLN 846 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.52 2dfs h GLN 846 CO -0.09 0.05 -0.10 0.00 0.09 0.00 0.00 178.83 178.79 2dfs h ALA 847 N 1.93 0.18 -0.77 0.06 0.00 -0.83 -2.10 119.26 117.73 2dfs h ALA 847 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2dfs h ALA 847 Cb 1.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2dfs h ALA 847 CO 0.01 0.01 0.49 -0.07 0.00 0.00 0.00 179.25 179.69 2dfs h LEU 848 N -0.09 0.90 -0.29 0.00 3.38 -1.17 -0.06 115.31 117.99 2dfs h LEU 848 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dfs h LEU 848 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2dfs h LEU 848 CO 0.03 0.67 0.19 0.25 0.09 0.00 0.00 178.44 179.67 2dfs h LEU 849 N 1.05 0.33 -1.30 1.67 6.46 -1.21 0.14 115.31 122.45 2dfs h LEU 849 Ca 0.28 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 2dfs h LEU 849 Cb -0.09 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 2dfs h LEU 849 CO -0.06 0.25 0.48 0.03 -0.62 0.00 0.00 178.44 178.52 2dfs h ARG 850 N 0.39 0.92 0.00 1.25 3.08 -1.08 0.10 114.38 119.03 2dfs h ARG 850 Ca 0.11 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2dfs h ARG 850 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 2dfs h ARG 850 CO -0.02 0.61 -0.38 0.78 -1.07 0.00 0.00 179.97 179.88 2dfs h GLY 851 N 0.94 0.00 0.61 0.04 0.00 -0.64 -3.10 103.07 100.92 2dfs h GLY 851 Ca 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.49 2dfs h GLY 851 CO -0.07 0.00 -0.44 -1.82 0.00 0.00 0.00 176.54 174.22 2dfs h TYR 852 N 0.00 0.43 -0.38 5.60 3.20 0.13 -3.31 116.97 122.65 2dfs h TYR 852 Ca -0.00 -0.24 0.04 0.00 3.14 0.00 0.00 58.73 61.67 2dfs h TYR 852 Cb 0.92 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 2dfs h TYR 852 CO 0.00 1.06 0.14 -0.07 -1.64 0.00 0.00 178.16 177.65 2dfs h LEU 853 N -0.32 0.16 -0.94 2.82 3.38 -0.88 -1.30 115.31 118.23 2dfs h LEU 853 Ca -0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2dfs h LEU 853 Cb 1.18 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 2dfs h LEU 853 CO 0.09 0.13 0.11 -0.37 0.09 0.00 0.00 178.44 178.49 2dfs h VAL 854 N 0.30 1.24 -0.51 1.22 -1.51 -1.71 0.09 116.25 115.36 2dfs h VAL 854 Ca 0.17 -0.89 -0.07 0.00 -1.23 0.00 0.00 66.70 64.69 2dfs h VAL 854 Cb 0.14 0.68 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 2dfs h VAL 854 CO -0.17 0.33 0.07 0.03 -1.23 0.00 0.00 177.57 176.60 2dfs h ARG 855 N 0.85 0.86 -0.16 5.19 3.08 -1.51 0.96 114.38 123.66 2dfs h ARG 855 Ca 0.18 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2dfs h ARG 855 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2dfs h ARG 855 CO 0.00 0.86 0.10 -0.97 -1.07 0.00 0.00 179.97 178.89 2dfs h ASN 856 N 0.74 0.17 -0.67 7.04 -0.73 -0.98 0.48 115.58 121.64 2dfs h ASN 856 Ca 0.15 -0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2dfs h ASN 856 Cb 0.43 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.94 2dfs h ASN 856 CO 0.01 0.12 0.38 0.50 -0.37 0.00 0.00 177.43 178.07 2dfs h LYS 857 N 0.21 0.92 -0.32 6.67 3.64 -0.80 0.10 116.57 126.99 2dfs h LYS 857 Ca 0.06 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2dfs h LYS 857 Cb -0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2dfs h LYS 857 CO -0.02 0.69 0.20 -0.92 -2.27 0.00 0.00 179.45 177.12 2dfs h TYR 858 N 0.91 0.37 -0.50 1.91 3.20 -0.80 -1.95 116.97 120.10 2dfs h TYR 858 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2dfs h TYR 858 Cb 0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2dfs h TYR 858 CO -0.01 0.22 0.28 0.37 -1.64 0.00 0.00 178.16 177.38 2dfs h GLN 859 N 0.40 0.70 -0.54 1.82 4.15 -0.18 -0.23 115.11 121.23 2dfs h GLN 859 Ca 0.12 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2dfs h GLN 859 Cb -0.02 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2dfs h GLN 859 CO -0.05 0.55 0.32 0.52 -1.93 0.00 0.00 178.83 178.24 2dfs h MET 860 N 0.67 0.74 -0.67 1.69 2.86 -0.83 -1.43 114.93 117.95 2dfs h MET 860 Ca 0.18 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2dfs h MET 860 Cb 0.05 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2dfs h MET 860 CO -0.03 0.54 0.41 1.98 1.06 0.00 0.00 176.91 180.87 2dfs h MET 861 N 0.73 0.92 -0.92 1.72 1.85 -1.02 -1.88 114.93 116.32 2dfs h MET 861 Ca 0.19 -0.08 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 2dfs h MET 861 Cb -0.00 -0.19 -0.04 0.00 0.43 0.00 0.00 31.60 31.79 2dfs h MET 861 CO -0.04 0.65 0.54 1.25 -0.40 0.00 0.00 176.91 178.91 2dfs h LEU 862 N 0.92 1.11 -0.34 3.39 5.85 -0.88 0.23 115.31 125.59 2dfs h LEU 862 Ca 0.24 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2dfs h LEU 862 Cb -0.03 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2dfs h LEU 862 CO -0.05 0.86 0.19 0.03 -0.34 0.00 0.00 178.44 179.14 2dfs h ARG 863 N 1.27 0.46 -0.19 1.25 3.08 -0.76 0.15 114.38 119.64 2dfs h ARG 863 Ca 0.33 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2dfs h ARG 863 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2dfs h ARG 863 CO -0.06 0.37 0.11 0.93 -1.07 0.00 0.00 179.97 180.25 2dfs h GLU 864 N 0.43 0.26 -0.62 0.04 4.39 -1.19 -2.26 114.58 115.62 2dfs h GLU 864 Ca 0.12 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 2dfs h GLU 864 Cb 0.03 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2dfs h GLU 864 CO -0.02 0.24 0.27 0.45 -1.16 0.00 0.00 179.01 178.78 2dfs h HIS 865 N 0.21 0.89 -0.62 4.33 3.86 -0.84 -1.50 115.15 121.49 2dfs h HIS 865 Ca 0.07 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 2dfs h HIS 865 Cb 0.05 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 2dfs h HIS 865 CO -0.04 0.67 0.09 -0.22 0.86 0.00 0.00 177.93 179.29 2dfs h LYS 866 N 0.89 1.01 -0.21 2.45 1.63 -0.63 -2.43 116.57 119.28 2dfs h LYS 866 Ca 0.21 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2dfs h LYS 866 Cb 0.14 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2dfs h LYS 866 CO -0.02 0.94 0.10 1.03 -3.45 0.00 0.00 179.45 178.04 2dfs h SER 867 N 0.95 0.27 -0.29 4.20 0.87 -0.81 -2.72 113.55 116.02 2dfs h SER 867 Ca 0.19 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 2dfs h SER 867 Cb 0.42 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 2dfs h SER 867 CO 0.01 0.32 -0.09 0.40 -0.53 0.00 0.00 176.83 176.94 2dfs h ILE 868 N 0.21 0.68 0.00 2.23 1.08 -1.19 0.37 117.51 120.88 2dfs h ILE 868 Ca 0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.53 2dfs h ILE 868 Cb 0.12 0.68 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2dfs h ILE 868 CO -0.01 0.00 -0.05 0.16 -0.69 0.00 0.00 178.15 177.56 2dfs h ILE 869 N -0.02 0.11 0.16 -0.67 3.07 -1.44 -0.15 117.51 118.57 2dfs h ILE 869 Ca 0.14 -0.83 -0.31 0.00 1.55 0.00 0.00 64.86 65.41 2dfs h ILE 869 Cb 0.24 1.75 0.03 0.00 -0.27 0.00 0.00 36.82 38.57 2dfs h ILE 869 CO -0.31 0.05 -1.32 0.16 -1.05 0.00 0.00 178.15 175.68 2dfs h ILE 870 N 0.00 1.30 -0.87 0.16 3.07 -1.05 -2.85 117.51 117.26 2dfs h ILE 870 Ca -0.00 -2.57 0.01 0.00 1.55 0.00 0.00 64.86 63.84 2dfs h ILE 870 Cb 0.75 2.81 -0.04 0.00 -0.27 0.00 0.00 36.82 40.07 2dfs h ILE 870 CO 0.01 0.78 0.56 1.56 -1.05 0.00 0.00 178.15 180.01 2dfs h GLN 871 N 0.23 1.15 -0.12 0.16 4.20 -0.70 -1.41 115.11 118.63 2dfs h GLN 871 Ca -0.21 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 2dfs h GLN 871 Cb 2.00 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 29.52 2dfs h GLN 871 CO 0.25 0.78 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.93 2dfs h LYS 872 N 1.19 0.23 -0.62 1.46 1.63 -1.13 -2.32 116.57 116.99 2dfs h LYS 872 Ca 0.32 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2dfs h LYS 872 Cb -0.12 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 2dfs h LYS 872 CO -0.07 0.53 0.29 1.25 -3.45 0.00 0.00 179.45 178.00 2dfs h HIS 873 N -0.10 0.88 -0.71 1.91 2.76 -1.22 -1.62 115.15 117.06 2dfs h HIS 873 Ca 0.03 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 2dfs h HIS 873 Cb 0.45 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.10 2dfs h HIS 873 CO 0.05 0.66 0.33 -0.24 -1.30 0.00 0.00 177.93 177.43 2dfs h VAL 874 N 0.88 1.23 -0.07 5.26 3.04 -1.30 -2.37 116.25 122.92 2dfs h VAL 874 Ca 0.22 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2dfs h VAL 874 Cb 0.11 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.72 2dfs h VAL 874 CO -0.03 0.27 0.00 0.54 -1.01 0.00 0.00 177.57 177.35 2dfs n ARG 875 N -4.33 1.20 0.00 4.17 1.74 -0.68 -1.29 116.66 117.48 2dfs n ARG 875 Ca 0.07 -0.30 0.14 0.00 -0.77 0.00 0.00 57.85 56.98 2dfs n ARG 875 Cb 0.14 -1.17 0.67 0.00 -1.02 0.00 0.00 32.46 31.08 2dfs n ARG 875 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dfs n GLY 876 N 0.74 -1.26 0.56 -0.13 0.00 -0.78 -3.82 105.19 100.49 2dfs n GLY 876 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.99 2dfs n GLY 876 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dfs n TRP 877 N -1.34 0.30 -0.08 1.61 8.01 -0.41 -2.69 117.44 122.83 2dfs n TRP 877 Ca 0.12 -0.11 0.02 0.00 -1.31 0.00 0.00 57.50 56.22 2dfs n TRP 877 Cb 0.25 -0.11 0.35 0.00 -2.01 0.00 0.00 31.31 29.78 2dfs n TRP 877 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 2dfs h LEU 878 N 0.72 0.62 -0.97 -0.99 3.38 -1.81 -0.00 115.31 116.27 2dfs h LEU 878 Ca 0.00 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.19 2dfs h LEU 878 Cb 0.55 -0.16 -0.18 0.00 0.09 0.00 0.00 40.66 40.96 2dfs h LEU 878 CO 0.06 0.47 -0.08 0.00 0.09 0.00 0.00 178.44 178.97 2dfs n ALA 879 N -2.46 0.40 -0.23 1.53 0.00 -1.10 0.03 120.51 118.69 2dfs n ALA 879 Ca 0.05 1.05 -0.07 0.00 0.00 0.00 0.00 53.44 54.46 2dfs n ALA 879 Cb 0.06 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 18.83 2dfs n ALA 879 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2dfs h ARG 880 N 0.00 0.96 -0.13 0.00 2.43 -1.23 -0.61 114.38 115.81 2dfs h ARG 880 Ca 0.54 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2dfs h ARG 880 Cb 1.02 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 2dfs h ARG 880 CO -0.94 0.83 -0.02 0.28 -1.51 0.00 0.00 179.97 178.61 2dfs h VAL 881 N 0.89 1.28 -0.56 0.20 2.07 -0.94 0.12 116.25 119.31 2dfs h VAL 881 Ca 0.21 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 2dfs h VAL 881 Cb 0.26 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2dfs h VAL 881 CO -0.01 0.27 0.04 0.45 0.02 0.00 0.00 177.57 178.34 2dfs h HIS 882 N -0.05 1.03 0.00 1.57 3.86 -0.23 -1.23 115.15 120.10 2dfs h HIS 882 Ca 0.04 -0.16 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2dfs h HIS 882 Cb 0.42 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2dfs h HIS 882 CO 0.04 0.92 -0.75 2.48 0.86 0.00 0.00 177.93 181.49 2dfs n TYR 883 N -4.30 0.00 0.27 2.45 0.18 -0.25 -1.65 117.16 113.87 2dfs n TYR 883 Ca 0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.93 2dfs n TYR 883 Cb 0.30 0.00 0.26 0.00 -0.38 0.00 0.00 39.34 39.53 2dfs n TYR 883 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 2dfs h HIS 884 N 0.00 0.00 0.00 -3.48 2.76 -1.39 -3.05 115.15 109.98 2dfs h HIS 884 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2dfs h HIS 884 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 2dfs h HIS 884 CO 0.00 0.00 -0.51 0.54 -1.30 0.00 0.00 177.93 176.66 2dfs n ARG 885 N -3.00 2.64 0.00 5.26 5.12 0.39 -4.92 116.66 122.15 2dfs n ARG 885 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2dfs n ARG 885 Cb 0.49 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.07 2dfs n ARG 885 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2dfs n THR 886 N -0.89 0.00 -0.33 0.55 -2.24 -0.47 -4.65 114.28 106.25 2dfs n THR 886 Ca 0.00 0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 2dfs n THR 886 Cb 0.00 -0.87 0.21 0.00 -2.10 0.00 0.00 70.33 67.58 2dfs n THR 886 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2dfs h LEU 887 N 0.00 0.81 -1.56 3.22 5.85 -1.46 0.17 115.31 122.34 2dfs h LEU 887 Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2dfs h LEU 887 Cb 0.00 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2dfs h LEU 887 CO 0.00 0.44 -0.23 0.11 -0.34 0.00 0.00 178.44 178.41 2dfs h LYS 888 N 0.90 0.00 -0.02 1.25 1.79 -1.80 -0.12 116.57 118.56 2dfs h LYS 888 Ca 0.46 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.76 2dfs h LYS 888 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2dfs h LYS 888 CO -0.27 0.23 -0.75 0.00 -1.08 0.00 0.00 179.45 177.58 2dfs h ALA 889 N 1.77 0.69 -0.05 3.86 0.00 -0.98 -2.85 119.26 121.69 2dfs h ALA 889 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 2dfs h ALA 889 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dfs h ALA 889 CO 0.03 0.85 0.02 0.82 0.00 0.00 0.00 179.25 180.97 2dfs h ILE 890 N 0.11 1.12 -0.58 0.00 2.04 -0.47 -2.78 117.51 116.96 2dfs h ILE 890 Ca -0.02 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 2dfs h ILE 890 Cb 1.33 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2dfs h ILE 890 CO 0.11 0.10 0.26 -0.37 0.00 0.00 0.00 178.15 178.26 2dfs h VAL 891 N -0.06 1.21 -0.81 1.67 -1.51 -1.10 -1.92 116.25 113.73 2dfs h VAL 891 Ca 0.02 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.86 2dfs h VAL 891 Cb 0.15 0.55 -0.04 0.00 -2.13 0.00 0.00 31.29 29.82 2dfs h VAL 891 CO -0.00 0.25 0.47 1.88 -1.23 0.00 0.00 177.57 178.93 2dfs h TYR 892 N 0.79 1.08 -0.67 5.19 0.05 -1.56 -1.33 116.97 120.51 2dfs h TYR 892 Ca 0.20 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.92 2dfs h TYR 892 Cb 0.14 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 2dfs h TYR 892 CO 0.00 0.73 0.24 1.25 -1.05 0.00 0.00 178.16 179.33 2dfs h LEU 893 N 1.12 0.96 -1.05 3.88 5.85 -1.19 -2.75 115.31 122.13 2dfs h LEU 893 Ca 0.29 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2dfs h LEU 893 Cb -0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 2dfs h LEU 893 CO -0.05 0.89 0.23 1.56 -0.34 0.00 0.00 178.44 180.72 2dfs h GLN 894 N 0.97 0.91 -0.19 1.25 4.20 -0.72 0.24 115.11 121.77 2dfs h GLN 894 Ca 0.22 -0.15 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2dfs h GLN 894 Cb 0.25 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 2dfs h GLN 894 CO -0.01 0.76 -0.11 0.00 -0.67 0.00 0.00 178.83 178.80 2dfs h TYR 897 N 0.97 0.18 -0.60 0.00 -1.99 -0.80 0.45 116.97 115.19 2dfs h TYR 897 Ca 0.21 0.01 0.03 0.00 2.00 0.00 0.00 58.73 60.99 2dfs h TYR 897 Cb 0.29 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.94 2dfs h TYR 897 CO 0.02 0.10 0.39 0.00 -0.00 0.00 0.00 178.16 178.67 2dfs h ARG 898 N 0.22 0.68 0.00 4.88 3.08 -0.92 -0.65 114.38 121.68 2dfs h ARG 898 Ca 0.10 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 2dfs h ARG 898 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2dfs h ARG 898 CO -0.09 0.45 -0.72 0.00 -1.07 0.00 0.00 179.97 178.55 2dfs h ARG 899 N 0.71 0.00 0.00 0.04 2.47 -1.04 -2.60 114.38 113.96 2dfs h ARG 899 Ca 0.24 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.86 2dfs h ARG 899 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2dfs h ARG 899 CO -0.06 0.27 -0.48 1.98 0.56 0.00 0.00 179.97 182.24 2dfs h MET 900 N 0.00 0.00 0.03 0.04 4.05 -0.46 -2.86 114.93 115.72 2dfs h MET 900 Ca -0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2dfs h MET 900 Cb 1.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.10 2dfs h MET 900 CO 0.04 0.48 -0.01 0.52 0.23 0.00 0.00 176.91 178.17 2dfs h MET 901 N 0.00 -0.04 0.00 0.39 2.86 -0.93 -2.95 114.93 114.26 2dfs h MET 901 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dfs h MET 901 Cb 1.04 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2dfs h MET 901 CO 0.06 0.10 0.00 0.00 1.06 0.00 0.00 176.91 178.14 2dfs n ALA 902 N -2.18 2.17 0.34 6.32 0.00 -1.00 -1.91 120.51 124.25 2dfs n ALA 902 Ca -0.08 -0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.59 2dfs n ALA 902 Cb 0.10 -1.46 1.20 0.00 0.00 0.00 0.00 19.45 19.29 2dfs n ALA 902 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dfs h LYS 903 N 0.00 0.00 0.00 0.00 1.63 -1.33 -0.06 116.57 116.81 2dfs h LYS 903 Ca 0.00 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.51 2dfs h LYS 903 Cb 0.68 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.26 2dfs h LYS 903 CO 0.00 0.00 -1.81 0.54 -3.45 0.00 0.00 179.45 174.73 2dfs n ARG 904 N -3.11 0.64 -0.03 1.90 1.74 -0.80 -4.19 116.66 112.81 2dfs n ARG 904 Ca -0.03 0.23 -0.11 0.00 -0.77 0.00 0.00 57.85 57.17 2dfs n ARG 904 Cb 0.08 -1.74 -0.05 0.00 -1.02 0.00 0.00 32.46 29.73 2dfs n ARG 904 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2dfs h GLU 905 N 0.00 0.21 -1.40 5.56 4.39 -0.89 -2.51 114.58 119.93 2dfs h GLU 905 Ca -0.32 -0.02 -0.21 0.00 0.34 0.00 0.00 59.36 59.15 2dfs h GLU 905 Cb 2.00 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 30.51 2dfs h GLU 905 CO 0.07 0.21 0.27 -0.11 -1.16 0.00 0.00 179.01 178.28 2dfs n LEU 906 N -4.94 5.42 0.00 1.33 0.00 -0.83 -1.37 117.00 116.61 2dfs n LEU 906 Ca -0.04 -2.72 0.00 0.00 0.00 0.00 0.00 56.01 53.24 2dfs n LEU 906 Cb 0.06 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 42.59 2dfs n LEU 906 CO 0.34 0.98 0.31 0.29 0.00 0.00 0.00 177.39 179.30 2dfs n LYS 907 N 0.38 0.93 -0.02 1.96 4.76 -0.96 -4.84 118.16 120.37 2dfs n LYS 907 Ca 0.21 -0.78 -0.02 0.00 -2.87 0.00 0.00 58.31 54.85 2dfs n LYS 907 Cb 0.69 -0.72 -0.03 0.00 -1.84 0.00 0.00 35.03 33.13 2dfs n LYS 907 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2dfs n LYS 908 N -0.17 2.52 -3.52 1.97 2.85 -0.47 -5.10 118.16 116.24 2dfs n LYS 908 Ca 0.00 0.01 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2dfs n LYS 908 Cb 0.34 -1.11 -0.04 0.00 -0.65 0.00 0.00 35.03 33.57 2dfs n LYS 908 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dfs s LEU 909 N -4.56 -0.51 0.00 -5.58 1.43 -0.81 -5.14 118.68 103.50 2dfs s LEU 909 Ca -0.03 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2dfs s LEU 909 Cb 0.01 2.27 0.00 0.00 0.03 0.00 0.00 46.19 48.50 2dfs s LEU 909 CO 0.16 -0.59 0.00 1.15 0.23 0.00 0.00 176.35 177.30 2dfs n MET 951 N 0.47 0.00 -0.19 1.70 0.00 -1.26 -4.13 117.12 113.71 2dfs n MET 951 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 57.70 57.50 2dfs n MET 951 Cb 0.59 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.91 2dfs n MET 951 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 2dfs h ASN 952 N 0.00 0.94 -0.10 3.17 -0.00 -2.08 -3.37 115.58 114.14 2dfs h ASN 952 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.09 2dfs h ASN 952 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.07 2dfs h ASN 952 CO 0.00 0.95 0.00 -0.46 -0.00 0.00 0.00 177.43 177.92 2dfs n ASN 953 N -4.22 2.19 -0.07 1.15 6.94 -1.26 -3.31 115.26 116.67 2dfs n ASN 953 Ca 0.04 -1.74 -0.05 0.00 -0.02 0.00 0.00 54.58 52.80 2dfs n ASN 953 Cb 0.28 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.51 2dfs n ASN 953 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dfs n LEU 954 N 0.69 0.00 -0.22 -4.53 -0.00 -1.26 -4.58 117.00 107.09 2dfs n LEU 954 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.18 2dfs n LEU 954 Cb 0.45 0.36 0.06 0.00 -0.00 0.00 0.00 43.42 44.29 2dfs n LEU 954 CO 0.15 0.36 0.72 -0.08 -0.00 0.00 0.00 177.39 178.54 2dfs h GLU 955 N 0.00 -0.02 -0.34 1.47 4.22 -1.71 -1.26 114.58 116.94 2dfs h GLU 955 Ca -0.39 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.15 2dfs h GLU 955 Cb 1.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 2dfs h GLU 955 CO 0.02 -0.01 0.45 -0.84 -2.18 0.00 0.00 179.01 176.45 2dfs h ILE 956 N -0.02 0.28 0.06 2.32 3.07 -1.81 -1.66 117.51 119.75 2dfs h ILE 956 Ca 0.31 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.59 2dfs h ILE 956 Cb 0.50 0.62 0.01 0.00 -0.27 0.00 0.00 36.82 37.68 2dfs h ILE 956 CO -0.68 0.00 -0.54 0.74 -1.05 0.00 0.00 178.15 176.61 2dfs h THR 957 N 0.00 1.55 -0.54 0.16 2.02 -1.50 -3.33 112.91 111.27 2dfs h THR 957 Ca 0.16 -2.30 -0.07 0.00 0.77 0.00 0.00 66.41 64.97 2dfs h THR 957 Cb 1.07 3.02 -0.02 0.00 -1.74 0.00 0.00 68.15 70.48 2dfs h THR 957 CO -0.00 0.64 0.05 0.22 0.37 0.00 0.00 175.52 176.80 2dfs h TYR 958 N -0.43 0.99 -0.72 3.16 3.20 -1.40 -1.86 116.97 119.91 2dfs h TYR 958 Ca -0.09 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 2dfs h TYR 958 Cb 1.36 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 2dfs h TYR 958 CO 0.20 0.89 0.28 0.66 -1.64 0.00 0.00 178.16 178.54 2dfs h SER 959 N 0.80 0.98 -0.12 -2.11 4.64 -1.71 0.15 113.55 116.17 2dfs h SER 959 Ca 0.16 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2dfs h SER 959 Cb 0.46 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2dfs h SER 959 CO 0.02 0.88 -0.05 0.71 -0.87 0.00 0.00 176.83 177.52 2dfs h THR 960 N 1.04 1.31 -0.66 2.95 1.35 -1.65 -3.30 112.91 113.95 2dfs h THR 960 Ca 0.24 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.01 2dfs h THR 960 Cb 0.21 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.35 2dfs h THR 960 CO -0.02 0.30 0.25 -0.08 -0.25 0.00 0.00 175.52 175.73 2dfs h GLU 961 N -0.09 0.99 -0.83 4.72 4.57 -0.70 -2.61 114.58 120.62 2dfs h GLU 961 Ca 0.03 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.06 2dfs h GLU 961 Cb 0.49 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 2dfs h GLU 961 CO 0.02 0.83 0.55 1.79 -1.18 0.00 0.00 179.01 181.01 2dfs h THR 962 N 0.93 1.13 -0.86 0.32 1.35 -0.89 0.31 112.91 115.20 2dfs h THR 962 Ca 0.22 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 2dfs h THR 962 Cb 0.22 0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.62 2dfs h THR 962 CO -0.02 0.19 0.49 -0.08 -0.25 0.00 0.00 175.52 175.85 2dfs h GLU 963 N 1.02 1.19 -0.09 4.72 4.57 -1.58 -2.86 114.58 121.56 2dfs h GLU 963 Ca 0.33 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2dfs h GLU 963 Cb 0.04 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.38 2dfs h GLU 963 CO -0.10 0.86 0.04 0.87 -1.18 0.00 0.00 179.01 179.50 2dfs h LYS 964 N 1.20 0.13 -0.02 1.92 6.56 -0.58 0.38 116.57 126.16 2dfs h LYS 964 Ca 0.31 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 2dfs h LYS 964 Cb -0.00 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 2dfs h LYS 964 CO -0.05 0.23 0.00 1.47 -2.06 0.00 0.00 179.45 179.04 2dfs n LEU 965 N -4.94 0.71 0.13 2.94 -0.00 -0.99 -0.94 117.00 113.91 2dfs n LEU 965 Ca -0.06 -0.25 -0.24 0.00 -0.00 0.00 0.00 56.01 55.47 2dfs n LEU 965 Cb 0.10 -0.01 -0.15 0.00 -0.00 0.00 0.00 43.42 43.36 2dfs n LEU 965 CO 0.34 0.12 -0.17 -0.09 -0.00 0.00 0.00 177.39 177.59 2dfs h ARG 966 N 1.10 0.52 -0.27 1.47 9.65 -1.21 -3.16 114.38 122.48 2dfs h ARG 966 Ca 0.00 -0.86 -0.07 0.00 -1.10 0.00 0.00 59.98 57.95 2dfs h ARG 966 Cb 0.23 0.32 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 2dfs h ARG 966 CO 0.00 1.41 -0.12 1.03 2.80 0.00 0.00 179.97 185.09 2dfs h SER 967 N 0.08 0.58 1.18 -3.80 0.87 0.62 -3.19 113.55 109.89 2dfs h SER 967 Ca -0.23 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2dfs h SER 967 Cb 2.06 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.86 2dfs h SER 967 CO 0.25 0.85 -0.31 -0.90 -0.53 0.00 0.00 176.83 176.20 2dfs n ASP 968 N -4.45 0.76 -0.20 6.23 5.68 -0.11 -2.72 116.55 121.74 2dfs n ASP 968 Ca -0.04 0.35 -0.01 0.00 -0.50 0.00 0.00 54.79 54.60 2dfs n ASP 968 Cb 0.35 -0.33 0.22 0.00 -1.14 0.00 0.00 41.12 40.22 2dfs n ASP 968 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2dfs h VAL 969 N 0.00 1.21 0.00 2.12 3.04 -1.59 -0.88 116.25 120.14 2dfs h VAL 969 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 2dfs h VAL 969 Cb 0.74 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2dfs h VAL 969 CO 0.00 0.23 0.00 -0.08 -1.01 0.00 0.00 177.57 176.71 2dfs h GLU 970 N 0.97 0.00 0.01 4.17 4.57 -1.52 -1.92 114.58 120.86 2dfs h GLU 970 Ca 0.25 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2dfs h GLU 970 Cb 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2dfs h GLU 970 CO -0.04 0.00 -0.01 -0.09 -1.18 0.00 0.00 179.01 177.69 2dfs h ARG 971 N 0.00 -0.02 0.00 1.92 9.65 -1.08 -2.81 114.38 122.04 2dfs h ARG 971 Ca 0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 2dfs h ARG 971 Cb 0.63 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2dfs h ARG 971 CO 0.00 0.75 -0.46 1.37 2.80 0.00 0.00 179.97 184.43 2dfs h LEU 972 N -0.86 0.00 -0.44 3.80 -0.00 -1.20 0.17 115.31 116.77 2dfs h LEU 972 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2dfs h LEU 972 Cb 0.78 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 2dfs h LEU 972 CO 0.00 0.46 0.23 0.03 -0.00 0.00 0.00 178.44 179.17 2dfs h ARG 973 N 0.00 0.63 -0.55 0.17 3.08 -1.49 0.18 114.38 116.39 2dfs h ARG 973 Ca -0.00 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2dfs h ARG 973 Cb 0.98 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2dfs h ARG 973 CO 0.06 0.51 -0.00 1.98 -1.07 0.00 0.00 179.97 181.45 2dfs h MET 974 N 0.58 0.95 -0.89 0.04 4.05 -1.19 -0.37 114.93 118.09 2dfs h MET 974 Ca 0.15 -0.28 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2dfs h MET 974 Cb 0.08 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 2dfs h MET 974 CO -0.02 0.94 0.52 0.77 0.23 0.00 0.00 176.91 179.34 2dfs h SER 975 N 0.87 1.08 -0.55 1.39 0.02 -0.87 0.73 113.55 116.23 2dfs h SER 975 Ca 0.16 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2dfs h SER 975 Cb 0.52 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 2dfs h SER 975 CO 0.03 0.85 0.34 -0.08 -1.14 0.00 0.00 176.83 176.82 2dfs h GLU 976 N 1.23 0.75 -0.32 3.45 4.57 -0.34 0.13 114.58 124.05 2dfs h GLU 976 Ca 0.32 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 2dfs h GLU 976 Cb -0.02 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2dfs h GLU 976 CO -0.06 0.54 0.16 1.49 -1.18 0.00 0.00 179.01 179.96 2dfs h GLU 977 N 0.75 0.45 -0.15 1.92 4.57 -0.82 0.86 114.58 122.15 2dfs h GLU 977 Ca 0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 2dfs h GLU 977 Cb -0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2dfs h GLU 977 CO -0.04 0.41 0.10 1.49 -1.18 0.00 0.00 179.01 179.79 2dfs h GLU 978 N 0.38 0.20 -0.87 1.92 4.57 -0.78 -0.61 114.58 119.39 2dfs h GLU 978 Ca 0.11 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2dfs h GLU 978 Cb 0.10 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 2dfs h GLU 978 CO -0.01 0.14 0.51 0.00 -1.18 0.00 0.00 179.01 178.47 2dfs h ALA 979 N 1.05 1.26 -0.42 2.92 0.00 -0.63 0.24 119.26 123.68 2dfs h ALA 979 Ca 0.06 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2dfs h ALA 979 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 2dfs h ALA 979 CO -0.01 0.63 0.03 0.87 0.00 0.00 0.00 179.25 180.76 2dfs h LYS 980 N 1.21 0.72 -0.74 0.00 6.56 -0.60 0.76 116.57 124.48 2dfs h LYS 980 Ca 0.31 -0.21 -0.07 0.00 -1.06 0.00 0.00 60.65 59.62 2dfs h LYS 980 Cb -0.03 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.53 2dfs h LYS 980 CO -0.06 0.78 0.21 -0.97 -2.06 0.00 0.00 179.45 177.35 2dfs h ASN 981 N 0.56 1.09 -0.13 0.86 -0.73 -0.71 0.12 115.58 116.64 2dfs h ASN 981 Ca 0.12 -0.22 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 2dfs h ASN 981 Cb 0.44 -0.29 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2dfs h ASN 981 CO 0.02 1.03 0.07 0.00 -0.37 0.00 0.00 177.43 178.17 2dfs h ALA 982 N 1.11 0.16 0.00 1.57 0.00 -0.43 -1.01 119.26 120.66 2dfs h ALA 982 Ca 0.23 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2dfs h ALA 982 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2dfs h ALA 982 CO -0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 179.25 178.52 2dfs h THR 983 N 0.12 0.89 -0.99 0.00 1.03 -0.80 -0.83 112.91 112.34 2dfs h THR 983 Ca 0.05 -1.72 0.03 0.00 -0.01 0.00 0.00 66.41 64.75 2dfs h THR 983 Cb 0.06 2.06 -0.05 0.00 -1.07 0.00 0.00 68.15 69.15 2dfs h THR 983 CO -0.01 0.41 0.65 -1.13 -0.01 0.00 0.00 175.52 175.43 2dfs h ASN 984 N 0.00 1.10 -0.20 0.00 -0.73 -0.65 -0.98 115.58 114.12 2dfs h ASN 984 Ca -0.00 -0.02 -0.17 0.00 1.87 0.00 0.00 56.30 57.98 2dfs h ASN 984 Cb 1.03 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 39.35 2dfs h ASN 984 CO 0.05 0.77 -0.49 -0.09 -0.37 0.00 0.00 177.43 177.30 2dfs h ARG 985 N 1.28 0.78 0.10 6.67 9.65 -0.49 -3.13 114.38 129.24 2dfs h ARG 985 Ca 0.38 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2dfs h ARG 985 Cb -0.06 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2dfs h ARG 985 CO -0.10 1.09 -0.10 0.28 2.80 0.00 0.00 179.97 183.93 2dfs h VAL 986 N 0.61 0.76 -0.60 0.20 2.07 -0.71 -2.18 116.25 116.40 2dfs h VAL 986 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2dfs h VAL 986 Cb 1.07 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2dfs h VAL 986 CO 0.11 0.00 0.20 0.17 0.02 0.00 0.00 177.57 178.06 2dfs h LEU 987 N -0.23 0.82 -0.85 2.57 -0.00 -1.30 -2.22 115.31 114.11 2dfs h LEU 987 Ca 0.01 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 2dfs h LEU 987 Cb 0.22 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 2dfs h LEU 987 CO -0.03 0.77 0.26 0.77 -0.00 0.00 0.00 178.44 180.21 2dfs h SER 988 N 0.87 1.03 1.83 0.17 4.64 -1.47 -2.90 113.55 117.71 2dfs h SER 988 Ca 0.20 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2dfs h SER 988 Cb 0.23 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2dfs h SER 988 CO -0.01 0.93 -0.15 0.17 -0.87 0.00 0.00 176.83 176.90 2dfs h LEU 989 N 1.08 0.00 -1.03 5.97 -0.00 -1.17 -3.03 115.31 117.12 2dfs h LEU 989 Ca 0.24 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2dfs h LEU 989 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.88 2dfs h LEU 989 CO -0.01 0.00 0.27 1.56 -0.00 0.00 0.00 178.44 180.26 2dfs h GLN 990 N 0.00 0.96 -0.24 0.17 1.08 -1.21 0.27 115.11 116.15 2dfs h GLN 990 Ca 0.00 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2dfs h GLN 990 Cb 0.99 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 2dfs h GLN 990 CO 0.00 0.78 0.13 1.49 -0.95 0.00 0.00 178.83 180.28 2dfs h GLU 991 N 0.95 0.33 -0.22 1.46 4.57 -1.55 -2.82 114.58 117.30 2dfs h GLU 991 Ca 0.23 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2dfs h GLU 991 Cb 0.17 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2dfs h GLU 991 CO -0.02 0.29 0.12 1.49 -1.18 0.00 0.00 179.01 179.70 2dfs h GLU 992 N 0.28 0.31 0.00 1.92 4.57 -1.34 -2.88 114.58 117.43 2dfs h GLU 992 Ca 0.08 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2dfs h GLU 992 Cb 0.05 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2dfs h GLU 992 CO -0.01 0.30 -0.05 0.97 -1.18 0.00 0.00 179.01 179.04 2dfs h ILE 993 N 0.24 0.11 -0.16 2.32 6.09 -0.52 -1.00 117.51 124.59 2dfs h ILE 993 Ca 0.08 -0.77 -0.11 0.00 -1.37 0.00 0.00 64.86 62.68 2dfs h ILE 993 Cb 0.09 1.70 0.00 0.00 0.47 0.00 0.00 36.82 39.07 2dfs h ILE 993 CO -0.01 0.05 -0.33 0.00 -3.07 0.00 0.00 178.15 174.79 2dfs h ALA 994 N 1.95 0.26 -0.20 0.18 0.00 -1.51 -3.33 119.26 116.61 2dfs h ALA 994 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2dfs h ALA 994 Cb 0.69 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dfs h ALA 994 CO 0.01 0.30 0.10 0.87 0.00 0.00 0.00 179.25 180.53 2dfs h LYS 995 N 0.15 0.28 0.00 0.00 6.56 -0.95 -2.71 116.57 119.89 2dfs h LYS 995 Ca 0.01 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.50 2dfs h LYS 995 Cb 0.92 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.52 2dfs h LYS 995 CO 0.07 0.29 -0.26 1.37 -2.06 0.00 0.00 179.45 178.86 2dfs h LEU 996 N 0.20 0.00 -0.52 2.94 -0.00 -1.73 -0.40 115.31 115.80 2dfs h LEU 996 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2dfs h LEU 996 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2dfs h LEU 996 CO -0.01 0.26 0.00 0.54 -0.00 0.00 0.00 178.44 179.23 2dfs n ARG 997 N -4.02 0.20 -0.09 0.17 3.00 -1.05 -0.94 116.66 113.94 2dfs n ARG 997 Ca -0.02 0.37 -0.17 0.00 -0.01 0.00 0.00 57.85 58.02 2dfs n ARG 997 Cb 0.33 -1.85 -0.09 0.00 0.00 0.00 0.00 32.46 30.85 2dfs n ARG 997 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2dfs h LYS 998 N 0.00 0.00 -0.96 5.56 6.56 -0.87 -3.37 116.57 123.49 2dfs h LYS 998 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2dfs h LYS 998 Cb 0.45 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.06 2dfs h LYS 998 CO 0.00 0.76 0.60 1.05 -2.06 0.00 0.00 179.45 179.81 2dfs h GLU 999 N -1.00 1.29 0.00 3.15 4.11 -0.80 0.07 114.58 121.40 2dfs h GLU 999 Ca -0.23 -0.10 -0.09 0.00 0.07 0.00 0.00 59.36 59.01 2dfs h GLU 999 Cb 1.06 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2dfs h GLU 999 CO -0.14 0.89 -0.42 1.37 0.07 0.00 0.00 179.01 180.78 2dfs h LEU 1000N 1.32 0.00 -0.42 3.06 -0.00 -1.30 -0.42 115.31 117.55 2dfs h LEU 1000Ca 0.35 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.11 2dfs h LEU 1000Cb -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 2dfs h LEU 1000CO -0.07 0.42 -0.20 -0.74 -0.00 0.00 0.00 178.44 177.84 2dfs h HIS 1001N 0.00 1.01 -0.71 0.17 2.76 -1.42 0.31 115.15 117.27 2dfs h HIS 1001Ca -0.00 -0.25 -0.02 0.00 -2.20 0.00 0.00 60.37 57.90 2dfs h HIS 1001Cb 0.88 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.57 2dfs h HIS 1001CO 0.00 1.03 0.37 1.96 -1.30 0.00 0.00 177.93 179.99 2dfs h GLN 1002N 0.70 1.01 -0.39 5.26 1.08 -0.51 -0.63 115.11 121.62 2dfs h GLN 1002Ca 0.09 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2dfs h GLN 1002Cb 0.77 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 2dfs h GLN 1002CO 0.06 0.77 0.05 1.79 -0.95 0.00 0.00 178.83 180.55 2dfs h THR 1003N 0.99 1.25 -0.62 -0.54 1.35 -1.10 -2.87 112.91 111.36 2dfs h THR 1003Ca 0.25 -0.90 0.03 0.00 -0.55 0.00 0.00 66.41 65.24 2dfs h THR 1003Cb 0.07 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 2dfs h THR 1003CO -0.04 0.31 0.38 -0.61 -0.25 0.00 0.00 175.52 175.31 2dfs h GLN 1004N 0.50 0.73 -0.74 4.72 5.75 -0.53 0.30 115.11 125.83 2dfs h GLN 1004Ca 0.12 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 2dfs h GLN 1004Cb 0.40 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2dfs h GLN 1004CO 0.01 0.48 0.22 1.79 -2.65 0.00 0.00 178.83 178.68 2dfs h THR 1005N 0.75 1.26 -0.51 2.39 1.35 -1.20 -0.41 112.91 116.54 2dfs h THR 1005Ca 0.25 -0.93 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 2dfs h THR 1005Cb 0.03 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 66.89 2dfs h THR 1005CO -0.11 0.37 0.09 -0.08 -0.25 0.00 0.00 175.52 175.54 2dfs h GLU 1006N 1.11 0.83 -0.82 4.72 4.22 -1.19 -2.81 114.58 120.64 2dfs h GLU 1006Ca 0.24 -0.22 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 2dfs h GLU 1006Cb 0.33 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2dfs h GLU 1006CO -0.00 0.82 0.45 0.87 -2.18 0.00 0.00 179.01 178.96 2dfs h LYS 1007N 0.71 1.15 -0.89 1.92 6.56 -0.27 0.39 116.57 126.14 2dfs h LYS 1007Ca 0.15 -0.13 0.01 0.00 -1.06 0.00 0.00 60.65 59.62 2dfs h LYS 1007Cb 0.38 -0.23 -0.04 0.00 -0.57 0.00 0.00 32.23 31.77 2dfs h LYS 1007CO 0.01 0.84 0.58 -0.22 -2.06 0.00 0.00 179.45 178.59 2dfs h LYS 1008N 1.15 1.18 0.09 3.15 1.63 -0.98 -1.07 116.57 121.72 2dfs h LYS 1008Ca 0.29 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 2dfs h LYS 1008Cb 0.03 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 2dfs h LYS 1008CO -0.05 0.79 -0.07 1.15 -3.45 0.00 0.00 179.45 177.82 2dfs h THR 1009N 1.21 0.83 -0.49 1.00 2.02 -1.04 -2.19 112.91 114.25 2dfs h THR 1009Ca 0.32 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.44 2dfs h THR 1009Cb -0.12 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2dfs h THR 1009CO -0.07 0.00 0.04 -0.29 0.37 0.00 0.00 175.52 175.57 2dfs h ILE 1010N -0.18 1.24 -0.30 3.11 6.09 -0.65 0.88 117.51 127.71 2dfs h ILE 1010Ca -0.00 -0.94 -0.12 0.00 -1.37 0.00 0.00 64.86 62.42 2dfs h ILE 1010Cb 0.16 0.82 -0.00 0.00 0.47 0.00 0.00 36.82 38.26 2dfs h ILE 1010CO -0.01 0.34 -0.29 -0.33 -3.07 0.00 0.00 178.15 174.78 2dfs h GLU 1011N 0.75 0.72 -0.35 2.19 5.08 -1.25 0.13 114.58 121.87 2dfs h GLU 1011Ca 0.15 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2dfs h GLU 1011Cb 0.40 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2dfs h GLU 1011CO 0.01 1.00 0.18 1.49 -1.00 0.00 0.00 179.01 180.69 2dfs h GLU 1012N 0.47 0.49 -0.44 2.33 4.57 -1.24 -2.12 114.58 118.65 2dfs h GLU 1012Ca 0.05 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2dfs h GLU 1012Cb 0.87 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 2dfs h GLU 1012CO 0.07 0.43 0.25 2.35 -1.18 0.00 0.00 179.01 180.93 2dfs h TRP 1013N 0.43 0.59 -0.49 0.92 -0.00 -0.70 0.50 115.95 117.20 2dfs h TRP 1013Ca 0.12 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.89 58.94 2dfs h TRP 1013Cb 0.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.03 2dfs h TRP 1013CO -0.02 0.43 0.03 0.00 -0.00 0.00 0.00 178.44 178.87 2dfs h ALA 1014N 1.11 1.14 -0.46 2.65 0.00 -0.75 0.28 119.26 123.22 2dfs h ALA 1014Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2dfs h ALA 1014Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dfs h ALA 1014CO -0.03 0.56 0.17 0.22 0.00 0.00 0.00 179.25 180.17 2dfs h ASP 1015N 0.74 0.65 1.43 0.00 3.58 -1.16 -1.85 116.42 119.81 2dfs h ASP 1015Ca 0.15 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2dfs h ASP 1015Cb 0.41 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2dfs h ASP 1015CO 0.01 0.66 0.00 0.11 -2.88 0.00 0.00 179.24 177.14 2dfs h LYS 1016N 0.61 0.00 -0.23 0.28 6.56 -0.58 0.22 116.57 123.42 2dfs h LYS 1016Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2dfs h LYS 1016Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2dfs h LYS 1016CO -0.01 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.04 2dfs n TYR 1017N -2.85 0.30 -0.06 -1.35 4.01 0.06 -1.92 117.16 115.36 2dfs n TYR 1017Ca 0.03 -0.15 -0.14 0.00 -0.16 0.00 0.00 57.90 57.48 2dfs n TYR 1017Cb 0.40 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.29 2dfs n TYR 1017CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2dfs n LYS 1018N 0.35 0.68 -0.37 -0.72 3.00 0.59 -3.53 118.16 118.16 2dfs n LYS 1018Ca 0.14 0.17 0.03 0.00 -0.00 0.00 0.00 58.31 58.66 2dfs n LYS 1018Cb 0.30 -1.64 0.19 0.00 0.00 0.00 0.00 35.03 33.87 2dfs n LYS 1018CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dfs h HIS 1019N 0.02 1.19 -0.24 5.64 3.86 -0.90 0.16 115.15 124.88 2dfs h HIS 1019Ca -0.45 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 2dfs h HIS 1019Cb 2.06 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 30.13 2dfs h HIS 1019CO 0.02 0.59 0.11 1.49 0.86 0.00 0.00 177.93 181.00 2dfs h GLU 1020N 1.15 0.35 -0.20 2.45 4.81 -1.57 -3.26 114.58 118.30 2dfs h GLU 1020Ca 0.44 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.50 2dfs h GLU 1020Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2dfs h GLU 1020CO -0.19 0.38 -0.37 0.00 -0.73 0.00 0.00 179.01 178.10 2dfs h THR 1021N 0.24 1.29 -0.41 0.32 1.03 -1.34 -2.49 112.91 111.56 2dfs h THR 1021Ca 0.08 -1.48 -0.11 0.00 -0.01 0.00 0.00 66.41 64.89 2dfs h THR 1021Cb 0.15 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 2dfs h THR 1021CO -0.01 0.46 -0.20 1.05 -0.01 0.00 0.00 175.52 176.81 2dfs h GLU 1022N 0.37 0.79 -0.34 0.00 4.11 -1.15 -3.32 114.58 115.05 2dfs h GLU 1022Ca 0.04 -0.31 -0.17 0.00 0.07 0.00 0.00 59.36 58.99 2dfs h GLU 1022Cb 0.82 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2dfs h GLU 1022CO 0.07 0.93 -0.44 1.96 0.07 0.00 0.00 179.01 181.59 2dfs h GLN 1023N 0.70 0.90 0.00 1.06 1.08 -1.50 -3.13 115.11 114.21 2dfs h GLN 1023Ca 0.10 -0.51 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 2dfs h GLN 1023Cb 0.71 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2dfs h GLN 1023CO 0.05 1.16 0.00 1.37 -0.95 0.00 0.00 178.83 180.46 2dfs h LEU 1024N 0.70 0.00 -1.01 1.46 -0.00 -1.61 -1.68 115.31 113.17 2dfs h LEU 1024Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2dfs h LEU 1024Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2dfs h LEU 1024CO 0.10 0.00 0.00 1.33 -0.00 0.00 0.00 178.44 179.87 2dfs n VAL 1025N -2.81 0.20 -0.12 0.15 0.24 -1.19 -1.02 118.33 113.78 2dfs n VAL 1025Ca 0.02 -0.32 -0.22 0.00 -2.04 0.00 0.00 64.34 61.78 2dfs n VAL 1025Cb 0.33 0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.93 2dfs n VAL 1025CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2dfs n SER 1026N 0.23 1.94 -0.20 -1.34 3.41 -0.88 -4.34 113.62 112.44 2dfs n SER 1026Ca 0.16 0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 59.03 2dfs n SER 1026Cb 0.30 -0.79 0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2dfs n SER 1026CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2dfs h GLU 1027N -0.99 0.80 0.00 4.33 -0.00 -1.34 0.74 114.58 118.12 2dfs h GLU 1027Ca -0.45 -0.10 0.00 0.00 -0.00 0.00 0.00 59.36 58.81 2dfs h GLU 1027Cb 1.39 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 2dfs h GLU 1027CO -0.27 0.62 0.00 1.25 -0.00 0.00 0.00 179.01 180.61 2dfs h LEU 1028N 0.77 0.00 -0.14 3.06 7.12 -1.33 0.16 115.31 124.95 2dfs h LEU 1028Ca 0.20 0.00 -0.13 0.00 0.13 0.00 0.00 57.88 58.08 2dfs h LEU 1028Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2dfs h LEU 1028CO -0.03 0.00 -0.41 0.11 -0.13 0.00 0.00 178.44 177.98 2dfs h LYS 1029N 0.00 0.52 -0.63 1.25 6.56 -1.49 -0.43 116.57 122.35 2dfs h LYS 1029Ca 0.00 -0.38 -0.02 0.00 -1.06 0.00 0.00 60.65 59.19 2dfs h LYS 1029Cb 0.77 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.47 2dfs h LYS 1029CO 0.00 0.99 0.30 1.49 -2.06 0.00 0.00 179.45 180.17 2dfs h GLU 1030N 0.14 0.91 -0.99 3.15 4.57 -0.30 -0.57 114.58 121.49 2dfs h GLU 1030Ca -0.01 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.07 2dfs h GLU 1030Cb 1.03 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.40 2dfs h GLU 1030CO 0.09 0.73 0.65 1.96 -1.18 0.00 0.00 179.01 181.26 2dfs h GLN 1031N 0.86 1.21 0.00 1.92 4.20 -0.74 -2.05 115.11 120.50 2dfs h GLN 1031Ca 0.21 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2dfs h GLN 1031Cb 0.13 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2dfs h GLN 1031CO -0.03 0.80 0.00 -2.95 -0.67 0.00 0.00 178.83 175.98 2dfs h ASN 1032N 1.24 0.00 0.10 1.46 -0.00 -0.51 -3.25 115.58 114.62 2dfs h ASN 1032Ca 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.69 2dfs h ASN 1032Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.34 2dfs h ASN 1032CO -0.13 0.00 -0.05 0.74 -0.00 0.00 0.00 177.43 177.99 2dfs h THR 1033N 0.00 1.14 0.00 6.14 2.02 -0.43 -3.36 112.91 118.42 2dfs h THR 1033Ca 0.00 -1.20 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 2dfs h THR 1033Cb 0.67 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 2dfs h THR 1033CO 0.00 0.28 -0.22 0.17 0.37 0.00 0.00 175.52 176.12 2dfs h LEU 1034N -0.71 0.00 -0.26 2.58 -0.00 -1.48 -2.13 115.31 113.30 2dfs h LEU 1034Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2dfs h LEU 1034Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 2dfs h LEU 1034CO 0.02 0.22 0.00 0.17 -0.00 0.00 0.00 178.44 178.85 2dfs h LEU 1035N 0.00 0.00 -0.11 0.17 -0.00 -1.75 0.13 115.31 113.76 2dfs h LEU 1035Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 2dfs h LEU 1035Cb 0.93 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.60 2dfs h LEU 1035CO 0.03 0.00 -0.71 0.11 -0.00 0.00 0.00 178.44 177.87 2dfs h LYS 1036N 0.00 0.67 -0.51 0.17 6.56 -1.54 -1.55 116.57 120.37 2dfs h LYS 1036Ca 0.00 -0.58 -0.07 0.00 -1.06 0.00 0.00 60.65 58.94 2dfs h LYS 1036Cb 0.74 0.13 -0.02 0.00 -0.57 0.00 0.00 32.23 32.50 2dfs h LYS 1036CO 0.00 1.19 0.03 1.79 -2.06 0.00 0.00 179.45 180.40 2dfs h THR 1037N 0.34 1.24 -0.54 -0.16 1.35 -1.14 -1.96 112.91 112.05 2dfs h THR 1037Ca -0.06 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 2dfs h THR 1037Cb 1.35 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 68.56 2dfs h THR 1037CO 0.14 0.35 0.32 -0.08 -0.25 0.00 0.00 175.52 176.01 2dfs h GLU 1038N 0.79 0.73 -0.67 4.72 4.81 -0.80 -1.62 114.58 122.54 2dfs h GLU 1038Ca 0.16 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2dfs h GLU 1038Cb 0.43 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2dfs h GLU 1038CO 0.02 0.52 0.28 -0.22 -0.73 0.00 0.00 179.01 178.87 2dfs h LYS 1039N 0.74 1.00 -0.22 1.92 1.63 -0.56 0.62 116.57 121.71 2dfs h LYS 1039Ca 0.20 -0.17 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2dfs h LYS 1039Cb -0.02 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.42 2dfs h LYS 1039CO -0.04 0.82 0.08 1.49 -3.45 0.00 0.00 179.45 178.36 2dfs h GLU 1040N 0.95 0.18 -0.17 1.90 4.57 -1.22 -2.65 114.58 118.14 2dfs h GLU 1040Ca 0.23 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 2dfs h GLU 1040Cb 0.19 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2dfs h GLU 1040CO -0.02 0.12 0.11 1.49 -1.18 0.00 0.00 179.01 179.53 2dfs h GLU 1041N 0.18 0.23 -0.13 1.92 4.57 -0.82 -2.86 114.58 117.68 2dfs h GLU 1041Ca 0.09 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 2dfs h GLU 1041Cb 0.06 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2dfs h GLU 1041CO -0.09 0.15 -0.52 1.37 -1.18 0.00 0.00 179.01 178.74 2dfs h LEU 1042N 0.23 0.39 -0.49 1.64 -0.00 -0.90 -1.74 115.31 114.43 2dfs h LEU 1042Ca 0.06 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 2dfs h LEU 1042Cb -0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.51 2dfs h LEU 1042CO -0.01 0.85 0.14 -1.13 -0.00 0.00 0.00 178.44 178.29 2dfs h ASN 1043N 0.28 0.73 -0.38 0.17 -0.73 -1.47 -0.64 115.58 113.53 2dfs h ASN 1043Ca 0.01 -0.21 -0.02 0.00 1.87 0.00 0.00 56.30 57.95 2dfs h ASN 1043Cb 1.01 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2dfs h ASN 1043CO 0.09 0.75 0.17 0.08 -0.37 0.00 0.00 177.43 178.14 2dfs h ARG 1044N 0.67 0.56 -0.57 6.67 0.11 -1.43 -2.88 114.38 117.52 2dfs h ARG 1044Ca 0.16 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 60.08 2dfs h ARG 1044Cb 0.29 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 2dfs h ARG 1044CO -0.00 0.52 0.10 -0.09 0.10 0.00 0.00 179.97 180.59 2dfs h ARG 1045N 0.47 0.90 -0.36 0.08 2.43 -1.05 -0.20 114.38 116.65 2dfs h ARG 1045Ca 0.13 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 2dfs h ARG 1045Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2dfs h ARG 1045CO -0.01 0.83 -0.22 0.97 -1.51 0.00 0.00 179.97 180.03 2dfs h ILE 1046N 0.85 1.27 -0.31 1.20 6.09 -1.18 -1.54 117.51 123.89 2dfs h ILE 1046Ca 0.18 -1.30 -0.11 0.00 -1.37 0.00 0.00 64.86 62.26 2dfs h ILE 1046Cb 0.37 1.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 2dfs h ILE 1046CO 0.01 0.43 -0.28 0.45 -3.07 0.00 0.00 178.15 175.69 2dfs h HIS 1047N 0.61 0.71 -0.34 2.19 3.86 -1.24 0.07 115.15 121.03 2dfs h HIS 1047Ca 0.09 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2dfs h HIS 1047Cb 0.70 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.98 2dfs h HIS 1047CO 0.03 0.84 0.21 0.22 0.86 0.00 0.00 177.93 180.09 2dfs h ASP 1048N 0.54 0.35 -0.41 2.45 -0.00 -1.01 0.88 116.42 119.22 2dfs h ASP 1048Ca 0.07 -0.00 0.05 0.00 -0.00 0.00 0.00 57.03 57.14 2dfs h ASP 1048Cb 0.75 -0.08 -0.04 0.00 -0.00 0.00 0.00 39.33 39.96 2dfs h ASP 1048CO 0.06 0.26 0.16 1.56 -0.00 0.00 0.00 179.24 181.27 2dfs h GLN 1049N 0.43 0.32 -0.07 0.28 4.20 -1.12 -0.39 115.11 118.75 2dfs h GLN 1049Ca 0.13 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 2dfs h GLN 1049Cb -0.02 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2dfs h GLN 1049CO -0.04 0.21 -0.36 0.00 -0.67 0.00 0.00 178.83 177.97 2dfs h ALA 1050N 1.25 1.27 -0.15 3.87 0.00 -0.67 0.12 119.26 124.95 2dfs h ALA 1050Ca 0.19 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2dfs h ALA 1050Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dfs h ALA 1050CO -0.18 0.51 -0.36 0.87 0.00 0.00 0.00 179.25 180.10 2dfs h LYS 1051N 0.13 0.51 -0.74 0.00 6.56 -0.68 -2.92 116.57 119.43 2dfs h LYS 1051Ca 0.01 -0.35 -0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2dfs h LYS 1051Cb 0.70 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.37 2dfs h LYS 1051CO 0.05 0.96 0.45 1.49 -2.06 0.00 0.00 179.45 180.34 2dfs h GLU 1052N 0.14 1.00 -0.80 3.15 4.57 -0.90 -1.44 114.58 120.29 2dfs h GLU 1052Ca -0.00 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2dfs h GLU 1052Cb 0.97 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 2dfs h GLU 1052CO 0.08 0.70 0.52 0.82 -1.18 0.00 0.00 179.01 179.95 2dfs h ILE 1053N 1.01 1.15 -0.06 2.32 1.08 -0.86 0.26 117.51 122.42 2dfs h ILE 1053Ca 0.27 -0.35 -0.15 0.00 -0.39 0.00 0.00 64.86 64.23 2dfs h ILE 1053Cb -0.05 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.72 2dfs h ILE 1053CO -0.05 0.19 -0.63 0.00 -0.69 0.00 0.00 178.15 176.96 2dfs h THR 1054N 1.03 1.40 -0.01 -0.27 1.03 -1.29 -2.08 112.91 112.72 2dfs h THR 1054Ca 0.31 -2.06 -0.00 0.00 -0.01 0.00 0.00 66.41 64.65 2dfs h THR 1054Cb -0.04 2.06 -0.00 0.00 -1.07 0.00 0.00 68.15 69.10 2dfs h THR 1054CO -0.09 0.61 0.00 -0.08 -0.01 0.00 0.00 175.52 175.94 2dfs h GLU 1055N 0.16 0.01 -0.71 0.00 4.57 -0.75 -1.26 114.58 116.60 2dfs h GLU 1055Ca -0.01 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2dfs h GLU 1055Cb 1.15 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.71 2dfs h GLU 1055CO 0.10 0.17 0.27 0.00 -1.18 0.00 0.00 179.01 178.37 2dfs h THR 1056N -0.16 1.24 -0.75 0.32 1.03 -0.52 0.01 112.91 114.10 2dfs h THR 1056Ca 0.00 -0.77 -0.02 0.00 -0.01 0.00 0.00 66.41 65.61 2dfs h THR 1056Cb 0.17 0.41 -0.03 0.00 -1.07 0.00 0.00 68.15 67.62 2dfs h THR 1056CO -0.00 0.31 0.40 0.24 -0.01 0.00 0.00 175.52 176.45 2dfs h MET 1057N 1.02 1.05 -0.83 0.00 2.86 -1.40 0.13 114.93 117.77 2dfs h MET 1057Ca 0.24 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 1057Cb 0.21 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2dfs h MET 1057CO -0.02 0.79 0.54 1.49 1.06 0.00 0.00 176.91 180.77 2dfs h GLU 1058N 1.03 1.10 -0.64 1.72 4.57 -0.45 -1.95 114.58 119.96 2dfs h GLU 1058Ca 0.26 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 2dfs h GLU 1058Cb 0.06 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2dfs h GLU 1058CO -0.04 0.74 0.13 0.87 -1.18 0.00 0.00 179.01 179.53 2dfs h LYS 1059N 1.13 1.04 -0.68 1.92 1.79 -0.90 -3.28 116.57 117.58 2dfs h LYS 1059Ca 0.30 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 58.44 2dfs h LYS 1059Cb -0.11 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.38 2dfs h LYS 1059CO -0.06 0.95 0.15 -0.22 -1.08 0.00 0.00 179.45 179.19 2dfs h LYS 1060N 0.96 1.09 0.00 3.15 3.64 -0.01 -1.25 116.57 124.14 2dfs h LYS 1060Ca 0.20 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2dfs h LYS 1060Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2dfs h LYS 1060CO 0.01 0.97 -0.31 1.37 -2.27 0.00 0.00 179.45 179.22 2dfs h LEU 1061N 1.03 0.00 -0.65 5.20 -0.00 -1.52 -2.41 115.31 116.96 2dfs h LEU 1061Ca 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.07 2dfs h LEU 1061Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2dfs h LEU 1061CO 0.00 0.31 -0.12 -0.37 -0.00 0.00 0.00 178.44 178.27 2dfs h VAL 1062N 0.00 0.24 -0.44 0.15 -1.51 -1.52 -1.59 116.25 111.58 2dfs h VAL 1062Ca -0.00 -1.06 0.02 0.00 -1.23 0.00 0.00 66.70 64.43 2dfs h VAL 1062Cb 0.87 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.88 2dfs h VAL 1062CO 0.04 0.12 0.25 -0.08 -1.23 0.00 0.00 177.57 176.67 2dfs h GLU 1063N 0.00 0.49 -0.21 5.19 4.81 -0.74 -0.70 114.58 123.42 2dfs h GLU 1063Ca -0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2dfs h GLU 1063Cb 0.86 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2dfs h GLU 1063CO 0.02 0.32 0.07 1.49 -0.73 0.00 0.00 179.01 180.18 2dfs h GLU 1064N 0.50 0.17 -0.77 1.92 4.57 -1.25 -1.50 114.58 118.23 2dfs h GLU 1064Ca 0.18 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2dfs h GLU 1064Cb 0.04 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2dfs h GLU 1064CO -0.10 0.11 0.37 1.79 -1.18 0.00 0.00 179.01 180.01 2dfs h THR 1065N 0.17 1.24 0.00 0.32 1.35 -1.06 -2.51 112.91 112.43 2dfs h THR 1065Ca 0.09 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 2dfs h THR 1065Cb 0.05 0.27 -0.00 0.00 -1.73 0.00 0.00 68.15 66.74 2dfs h THR 1065CO -0.09 0.29 -0.04 0.11 -0.25 0.00 0.00 175.52 175.54 2dfs h LYS 1066N 1.08 0.00 -0.55 4.72 6.56 -1.04 -2.85 116.57 124.50 2dfs h LYS 1066Ca 0.27 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.82 2dfs h LYS 1066Cb 0.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2dfs h LYS 1066CO -0.03 0.04 0.20 1.96 -2.06 0.00 0.00 179.45 179.56 2dfs h GLN 1067N 0.00 0.83 0.00 3.15 1.08 -0.81 -2.58 115.11 116.78 2dfs h GLN 1067Ca -0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2dfs h GLN 1067Cb 0.79 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2dfs h GLN 1067CO 0.01 0.73 -0.08 1.37 -0.95 0.00 0.00 178.83 179.91 2dfs h LEU 1068N 0.75 0.00 -0.36 1.46 -0.00 -1.58 -3.23 115.31 112.35 2dfs h LEU 1068Ca 0.18 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.97 2dfs h LEU 1068Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2dfs h LEU 1068CO -0.01 0.01 -0.07 -0.08 -0.00 0.00 0.00 178.44 178.28 2dfs h GLU 1069N 0.00 0.69 -0.35 0.17 4.81 -1.25 -2.48 114.58 116.16 2dfs h GLU 1069Ca 0.00 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.82 2dfs h GLU 1069Cb 0.88 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2dfs h GLU 1069CO 0.00 0.84 -0.39 1.37 -0.73 0.00 0.00 179.01 180.10 2dfs h LEU 1070N 0.48 0.90 0.02 1.64 -0.00 -1.60 -3.35 115.31 113.41 2dfs h LEU 1070Ca 0.09 -0.41 0.03 0.00 -0.00 0.00 0.00 57.88 57.60 2dfs h LEU 1070Cb 0.57 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.94 2dfs h LEU 1070CO 0.03 1.17 -0.28 -0.78 -0.00 0.00 0.00 178.44 178.59 2dfs h ASP 1071N 0.69 -0.82 1.22 0.17 3.58 -1.55 -3.12 116.42 116.58 2dfs h ASP 1071Ca 0.06 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2dfs h ASP 1071Cb 0.96 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2dfs h ASP 1071CO 0.09 -0.35 0.00 0.17 -2.88 0.00 0.00 179.24 176.27 2dfs h LEU 1072N -0.44 0.00 -0.09 2.28 -0.00 -1.57 -2.16 115.31 113.33 2dfs h LEU 1072Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.84 2dfs h LEU 1072Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2dfs h LEU 1072CO -0.23 0.00 -0.44 -0.55 -0.00 0.00 0.00 178.44 177.22 2dfs h ASN 1073N 0.00 0.00 -0.28 0.17 7.08 -1.68 -1.96 115.58 118.92 2dfs h ASN 1073Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 2dfs h ASN 1073Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 2dfs h ASN 1073CO 0.00 0.44 0.12 -0.78 -2.08 0.00 0.00 177.43 175.13 2dfs h ASP 1074N 0.00 0.37 -0.85 6.14 3.58 -1.36 -0.32 116.42 123.98 2dfs h ASP 1074Ca -0.00 -0.15 0.08 0.00 0.42 0.00 0.00 57.03 57.37 2dfs h ASP 1074Cb 1.31 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 42.19 2dfs h ASP 1074CO 0.06 0.42 0.52 -0.08 -2.88 0.00 0.00 179.24 177.28 2dfs h GLU 1075N 0.30 0.89 0.02 0.28 4.57 -1.61 -2.94 114.58 116.09 2dfs h GLU 1075Ca 0.09 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2dfs h GLU 1075Cb 0.16 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2dfs h GLU 1075CO -0.01 0.59 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.31 2dfs h ARG 1076N 0.91 -0.02 0.00 1.92 9.65 -0.50 -3.04 114.38 123.30 2dfs h ARG 1076Ca 0.39 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.25 2dfs h ARG 1076Cb 0.25 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2dfs h ARG 1076CO -0.20 0.41 -0.09 1.37 2.80 0.00 0.00 179.97 184.26 2dfs h LEU 1077N -0.46 0.00 -0.63 3.80 -0.00 -1.15 -2.91 115.31 113.95 2dfs h LEU 1077Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2dfs h LEU 1077Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2dfs h LEU 1077CO 0.00 0.09 0.40 -0.09 -0.00 0.00 0.00 178.44 178.84 2dfs h ARG 1078N 0.00 0.85 -0.09 0.17 9.65 -1.57 -3.08 114.38 120.31 2dfs h ARG 1078Ca -0.00 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 2dfs h ARG 1078Cb 0.82 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 2dfs h ARG 1078CO 0.01 0.59 -0.20 1.88 2.80 0.00 0.00 179.97 185.05 2dfs h TYR 1079N 0.86 0.16 0.00 2.20 -1.99 -1.39 -3.52 116.97 113.30 2dfs h TYR 1079Ca 0.23 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2dfs h TYR 1079Cb -0.06 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 38.63 2dfs h TYR 1079CO -0.02 0.35 0.00 1.04 -0.00 0.00 0.00 178.16 179.52