#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfs s HIS 2 N 0.00 2.54 -0.10 0.54 3.76 -1.26 -5.12 115.29 115.65 3dfs s HIS 2 Ca 0.00 -0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 54.20 3dfs s HIS 2 Cb 0.00 -1.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.02 3dfs s HIS 2 CO 0.00 -0.09 0.51 0.45 -0.85 0.00 0.00 174.74 174.76 3dfs s SER 3 N -0.31 6.75 -0.53 1.40 0.15 -1.26 -5.00 113.70 114.90 3dfs s SER 3 Ca 0.01 0.89 0.05 0.00 0.70 0.00 0.00 55.95 57.61 3dfs s SER 3 Cb -0.13 -2.30 0.20 0.00 -1.71 0.00 0.00 66.02 62.08 3dfs s SER 3 CO 0.02 0.01 0.49 1.41 1.20 0.00 0.00 173.24 176.38 3dfs n HIS 4 N 3.51 1.15 -0.50 3.44 8.25 -1.26 -5.08 115.22 124.72 3dfs n HIS 4 Ca -0.07 -3.79 -0.22 0.00 -0.26 0.00 0.00 57.72 53.38 3dfs n HIS 4 Cb 0.52 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.33 3dfs n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dfs n PRO 5 N 1.94 0.00 0.13 -0.41 -0.02 -1.26 -4.82 135.00 130.56 3dfs n PRO 5 Ca 0.25 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 3dfs n PRO 5 Cb 0.44 -0.54 0.11 0.00 -0.02 0.00 0.00 33.50 33.49 3dfs n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dfs h ALA 6 N 2.85 0.77 -3.30 3.55 0.00 -1.98 -3.45 119.26 117.71 3dfs h ALA 6 Ca -0.07 -0.60 -0.33 0.00 0.00 0.00 0.00 54.91 53.91 3dfs h ALA 6 Cb 0.51 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 17.98 3dfs h ALA 6 CO 0.38 0.82 -0.75 -0.51 0.00 0.00 0.00 179.25 179.19 3dfs s LEU 7 N -7.11 2.25 0.54 0.00 1.43 -1.26 -4.95 118.68 109.57 3dfs s LEU 7 Ca 0.00 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3dfs s LEU 7 Cb 0.11 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 46.02 3dfs s LEU 7 CO 0.76 -0.14 0.81 0.42 0.23 0.00 0.00 176.35 178.43 3dfs s THR 8 N -1.29 3.84 0.35 5.49 -4.23 -1.26 -4.89 115.64 113.65 3dfs s THR 8 Ca -0.06 -0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 3dfs s THR 8 Cb -0.10 -3.48 0.30 0.00 1.34 0.00 0.00 72.50 70.56 3dfs s THR 8 CO 0.01 -0.44 1.93 -0.65 -0.54 0.00 0.00 174.62 174.93 3dfs h PRO 9 N 0.05 0.79 -0.30 3.99 0.11 -2.01 -0.79 132.00 133.83 3dfs h PRO 9 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3dfs h PRO 9 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3dfs h PRO 9 CO 0.59 0.52 0.08 0.93 -0.21 0.00 0.00 178.00 179.92 3dfs h GLU 10 N 0.81 0.47 -0.83 1.05 3.07 -2.00 -1.24 114.58 115.91 3dfs h GLU 10 Ca 0.36 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3dfs h GLU 10 Cb 0.34 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 3dfs h GLU 10 CO -0.13 0.53 0.43 1.96 -1.40 0.00 0.00 179.01 180.39 3dfs h GLN 11 N 0.32 1.18 -0.56 2.33 4.20 -1.71 -1.90 115.11 118.96 3dfs h GLN 11 Ca 0.09 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3dfs h GLN 11 Cb 0.26 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3dfs h GLN 11 CO -0.00 0.89 0.24 0.87 -0.67 0.00 0.00 178.83 180.15 3dfs h LYS 12 N 1.17 0.83 -0.19 1.46 1.57 -0.98 -2.02 116.57 118.42 3dfs h LYS 12 Ca 0.29 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3dfs h LYS 12 Cb 0.07 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3dfs h LYS 12 CO -0.04 0.71 0.08 -0.22 -0.57 0.00 0.00 179.45 179.41 3dfs h LYS 13 N 0.77 0.17 -0.38 3.15 3.64 -0.80 0.63 116.57 123.75 3dfs h LYS 13 Ca 0.19 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3dfs h LYS 13 Cb 0.18 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 3dfs h LYS 13 CO -0.02 0.11 0.14 1.49 -2.27 0.00 0.00 179.45 178.90 3dfs h GLU 14 N 0.18 0.29 -0.33 1.90 4.81 -1.19 0.14 114.58 120.37 3dfs h GLU 14 Ca 0.08 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3dfs h GLU 14 Cb 0.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3dfs h GLU 14 CO -0.07 0.19 0.13 -0.07 -0.73 0.00 0.00 179.01 178.46 3dfs h LEU 15 N 0.30 0.45 -0.56 1.64 3.38 -1.03 -1.95 115.31 117.53 3dfs h LEU 15 Ca 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dfs h LEU 15 Cb 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3dfs h LEU 15 CO -0.17 0.50 0.24 -1.28 0.09 0.00 0.00 178.44 177.82 3dfs h SER 16 N 0.38 0.76 -0.73 -0.43 0.87 -0.58 -1.44 113.55 112.38 3dfs h SER 16 Ca 0.11 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3dfs h SER 16 Cb 0.20 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3dfs h SER 16 CO -0.01 0.71 0.38 0.44 -0.53 0.00 0.00 176.83 177.83 3dfs h ASP 17 N 0.76 0.92 0.10 6.23 3.32 -0.60 -1.38 116.42 125.78 3dfs h ASP 17 Ca 0.19 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3dfs h ASP 17 Cb 0.18 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3dfs h ASP 17 CO -0.02 0.77 -0.05 0.40 -1.72 0.00 0.00 179.24 178.62 3dfs h ILE 18 N 1.01 1.00 -0.92 0.35 2.04 -1.12 -1.90 117.51 117.97 3dfs h ILE 18 Ca 0.25 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3dfs h ILE 18 Cb 0.06 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 3dfs h ILE 18 CO -0.04 0.09 0.57 0.00 0.00 0.00 0.00 178.15 178.78 3dfs h ALA 19 N 0.56 1.29 -0.43 1.87 0.00 -1.10 -2.09 119.26 119.36 3dfs h ALA 19 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3dfs h ALA 19 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3dfs h ALA 19 CO 0.02 0.30 -0.24 0.45 0.00 0.00 0.00 179.25 179.79 3dfs h HIS 20 N 1.01 1.02 -0.85 0.00 3.86 -1.15 -3.09 115.15 115.94 3dfs h HIS 20 Ca 0.41 -0.25 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3dfs h HIS 20 Cb 0.24 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3dfs h HIS 20 CO -0.02 1.03 0.45 0.00 0.86 0.00 0.00 177.93 180.24 3dfs h ARG 21 N 0.77 1.20 -0.89 2.45 3.08 -0.68 -1.56 114.38 118.75 3dfs h ARG 21 Ca 0.10 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3dfs h ARG 21 Cb 0.79 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 3dfs h ARG 21 CO 0.07 0.90 0.46 0.82 -1.07 0.00 0.00 179.97 181.14 3dfs h ILE 22 N 1.20 1.26 -0.47 2.04 2.04 -1.38 -3.10 117.51 119.11 3dfs h ILE 22 Ca 0.30 -0.68 -0.23 0.00 1.00 0.00 0.00 64.86 65.25 3dfs h ILE 22 Cb 0.06 0.09 -0.14 0.00 -0.74 0.00 0.00 36.82 36.09 3dfs h ILE 22 CO -0.04 0.30 0.07 1.33 0.00 0.00 0.00 178.15 179.81 3dfs n VAL 23 N -4.32 2.67 -1.11 1.67 0.24 -1.10 -4.13 118.33 112.25 3dfs n VAL 23 Ca 0.09 -2.49 -0.34 0.00 -2.04 0.00 0.00 64.34 59.56 3dfs n VAL 23 Cb 0.11 -0.34 0.12 0.00 -1.47 0.00 0.00 33.84 32.26 3dfs n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfs n ALA 24 N -1.05 -0.27 -1.61 2.33 0.00 -0.61 -4.74 120.51 114.57 3dfs n ALA 24 Ca 0.37 -0.33 -0.63 0.00 0.00 0.00 0.00 53.44 52.85 3dfs n ALA 24 Cb 1.15 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 3dfs n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dfs n PRO 25 N -2.94 0.01 -0.93 0.00 -0.02 -1.26 -0.79 135.00 129.08 3dfs n PRO 25 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3dfs n PRO 25 Cb 0.50 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3dfs n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dfs n GLY 26 N 2.60 0.85 3.74 -1.23 0.00 -1.26 -5.02 105.19 104.87 3dfs n GLY 26 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3dfs n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfs s LYS 27 N -0.15 2.78 0.03 1.61 1.02 0.03 -4.48 119.74 120.59 3dfs s LYS 27 Ca 0.00 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.28 3dfs s LYS 27 Cb 0.00 -2.67 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3dfs s LYS 27 CO 0.00 0.57 0.02 0.41 -0.92 0.00 0.00 175.35 175.43 3dfs n GLY 28 N 0.62 3.95 3.36 -3.33 0.00 0.11 -4.59 105.19 105.31 3dfs n GLY 28 Ca -0.10 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 3dfs n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfs s ILE 29 N -2.04 2.58 -0.34 -0.61 1.01 0.15 0.38 121.20 122.34 3dfs s ILE 29 Ca 0.03 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 3dfs s ILE 29 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3dfs s ILE 29 CO 0.02 0.57 0.43 -0.22 0.00 0.00 0.00 174.94 175.74 3dfs s LEU 30 N -0.24 4.38 -0.71 2.97 2.96 -0.41 -2.23 118.68 125.41 3dfs s LEU 30 Ca -0.00 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 3dfs s LEU 30 Cb -0.13 -2.45 0.13 0.00 0.50 0.00 0.00 46.19 44.24 3dfs s LEU 30 CO 0.03 -0.39 0.82 0.00 -1.32 0.00 0.00 176.35 175.49 3dfs s ALA 31 N 2.18 3.50 -0.28 5.97 0.00 -0.06 -0.88 121.76 132.18 3dfs s ALA 31 Ca 0.15 -2.52 0.08 0.00 0.00 0.00 0.00 51.96 49.67 3dfs s ALA 31 Cb -0.16 -3.66 0.45 0.00 0.00 0.00 0.00 23.12 19.75 3dfs s ALA 31 CO 0.12 -2.50 1.27 0.00 0.00 0.00 0.00 175.76 174.65 3dfs n ALA 32 N 6.05 4.51 -0.83 0.00 0.00 -0.54 -4.10 120.51 125.59 3dfs n ALA 32 Ca 0.02 -3.52 -0.10 0.00 0.00 0.00 0.00 53.44 49.83 3dfs n ALA 32 Cb 0.45 -0.45 0.23 0.00 0.00 0.00 0.00 19.45 19.68 3dfs n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dfs n SER 33 N -0.92 4.24 -4.77 0.00 3.41 -0.92 -4.21 113.62 110.45 3dfs n SER 33 Ca 0.34 -3.17 -0.41 0.00 -0.26 0.00 0.00 58.87 55.37 3dfs n SER 33 Cb 0.86 -0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 3dfs n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dfs s GLU 34 N -2.75 4.19 1.02 4.33 8.01 -1.26 -4.36 118.70 127.88 3dfs s GLU 34 Ca 0.49 2.46 -0.16 0.00 0.01 0.00 0.00 54.97 57.77 3dfs s GLU 34 Cb 0.40 -3.02 0.21 0.00 -4.31 0.00 0.00 34.13 27.41 3dfs s GLU 34 CO 0.11 -0.45 1.19 -1.54 0.01 0.00 0.00 175.26 174.59 3dfs s SER 35 N -0.08 2.54 0.12 -0.19 1.04 -1.26 -4.66 113.70 111.20 3dfs s SER 35 Ca 0.54 0.61 -0.18 0.00 0.48 0.00 0.00 55.95 57.39 3dfs s SER 35 Cb -0.44 -0.88 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 3dfs s SER 35 CO 0.56 -3.12 1.70 0.74 0.98 0.00 0.00 173.24 174.11 3dfs h THR 36 N -1.90 1.14 0.00 2.02 2.02 -1.98 0.29 112.91 114.51 3dfs h THR 36 Ca -0.46 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 3dfs h THR 36 Cb 1.29 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3dfs h THR 36 CO 0.45 0.14 -0.19 1.23 0.37 0.00 0.00 175.52 177.52 3dfs h GLY 37 N 0.33 0.00 0.64 2.16 0.00 -1.99 0.76 103.07 104.96 3dfs h GLY 37 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 3dfs h GLY 37 CO -0.01 0.00 -1.13 0.23 0.00 0.00 0.00 176.54 175.63 3dfs h SER 38 N 0.00 0.44 1.05 0.19 0.87 -1.78 -3.36 113.55 110.96 3dfs h SER 38 Ca -0.00 -0.90 -0.13 0.00 -1.23 0.00 0.00 61.79 59.53 3dfs h SER 38 Cb 0.47 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3dfs h SER 38 CO 0.02 1.51 -0.63 -0.29 -0.53 0.00 0.00 176.83 176.92 3dfs h ILE 39 N -0.33 1.21 -0.95 2.23 2.10 -0.35 -3.24 117.51 118.17 3dfs h ILE 39 Ca -0.22 -2.37 0.19 0.00 1.08 0.00 0.00 64.86 63.53 3dfs h ILE 39 Cb 1.72 2.38 -0.11 0.00 -1.09 0.00 0.00 36.82 39.71 3dfs h ILE 39 CO 0.11 0.62 0.54 0.00 -1.08 0.00 0.00 178.15 178.34 3dfs h ALA 40 N 1.37 1.55 -0.47 0.18 0.00 -0.99 1.00 119.26 121.90 3dfs h ALA 40 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dfs h ALA 40 Cb 1.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3dfs h ALA 40 CO 0.08 -0.11 0.26 0.87 0.00 0.00 0.00 179.25 180.35 3dfs h LYS 41 N 0.67 0.65 -0.09 0.00 1.57 -1.72 -0.24 116.57 117.42 3dfs h LYS 41 Ca 0.55 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.21 3dfs h LYS 41 Cb 0.87 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3dfs h LYS 41 CO -0.40 0.51 -0.16 0.00 -0.57 0.00 0.00 179.45 178.83 3dfs h ARG 42 N 0.62 0.14 0.03 3.15 2.47 -1.03 -2.27 114.38 117.50 3dfs h ARG 42 Ca 0.17 -0.03 -0.22 0.00 -1.26 0.00 0.00 59.98 58.63 3dfs h ARG 42 Cb 0.05 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 3dfs h ARG 42 CO -0.03 0.31 -0.97 -0.07 0.56 0.00 0.00 179.97 179.77 3dfs h LEU 43 N 0.14 0.33 -1.16 3.04 3.38 -0.41 -3.15 115.31 117.47 3dfs h LEU 43 Ca 0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 3dfs h LEU 43 Cb 0.37 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3dfs h LEU 43 CO 0.02 1.12 -0.28 -0.61 0.09 0.00 0.00 178.44 178.79 3dfs h GLN 44 N 0.12 0.00 0.00 1.13 4.15 -0.63 0.18 115.11 120.06 3dfs h GLN 44 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3dfs h GLN 44 Cb 1.63 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.32 3dfs h GLN 44 CO 0.15 0.28 -0.04 0.66 -1.93 0.00 0.00 178.83 177.95 3dfs h SER 45 N 0.00 0.00 -0.07 -0.69 4.64 -1.38 -2.18 113.55 113.88 3dfs h SER 45 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3dfs h SER 45 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3dfs h SER 45 CO 0.04 0.04 -0.07 2.30 -0.87 0.00 0.00 176.83 178.27 3dfs n ILE 46 N -3.21 2.04 -2.28 0.95 -5.35 -0.96 -4.98 119.36 105.58 3dfs n ILE 46 Ca -0.01 -2.35 -0.16 0.00 -0.27 0.00 0.00 62.75 59.97 3dfs n ILE 46 Cb 0.26 -0.25 -0.02 0.00 -1.74 0.00 0.00 39.64 37.89 3dfs n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfs n GLY 47 N -1.20 -0.20 3.76 3.28 0.00 -0.82 -4.61 105.19 105.40 3dfs n GLY 47 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3dfs n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfs s THR 48 N -2.72 5.37 0.27 2.61 2.01 0.60 -4.99 115.64 118.79 3dfs s THR 48 Ca 0.00 0.35 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 3dfs s THR 48 Cb 0.00 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 68.88 3dfs s THR 48 CO 0.00 0.46 1.47 -0.70 -0.69 0.00 0.00 174.62 175.17 3dfs s GLU 49 N 0.06 4.23 -1.25 4.92 2.12 -1.26 -4.06 118.70 123.46 3dfs s GLU 49 Ca 0.13 2.38 -0.15 0.00 0.36 0.00 0.00 54.97 57.69 3dfs s GLU 49 Cb -0.12 -3.08 0.13 0.00 0.26 0.00 0.00 34.13 31.33 3dfs s GLU 49 CO 0.02 -0.47 1.58 -1.71 -0.54 0.00 0.00 175.26 174.14 3dfs n ASN 50 N 2.10 5.09 -4.71 -1.70 5.15 -1.26 -4.77 115.26 115.16 3dfs n ASN 50 Ca 0.06 -2.96 -0.24 0.00 -0.60 0.00 0.00 54.58 50.84 3dfs n ASN 50 Cb 0.40 -1.63 -0.07 0.00 -0.53 0.00 0.00 39.78 37.95 3dfs n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3dfs s THR 51 N 2.43 2.72 0.21 -0.44 -4.23 -1.26 -5.02 115.64 110.06 3dfs s THR 51 Ca 0.47 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3dfs s THR 51 Cb 0.00 -2.94 0.17 0.00 1.34 0.00 0.00 72.50 71.07 3dfs s THR 51 CO 0.03 -0.13 1.87 -0.08 -0.54 0.00 0.00 174.62 175.77 3dfs h GLU 52 N 1.56 1.06 -0.49 3.99 4.81 -1.99 -1.49 114.58 122.02 3dfs h GLU 52 Ca -0.43 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 3dfs h GLU 52 Cb 1.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 3dfs h GLU 52 CO 0.66 0.72 0.14 1.49 -0.73 0.00 0.00 179.01 181.30 3dfs h GLU 53 N 1.08 0.78 -0.63 1.92 4.57 -1.97 0.38 114.58 120.71 3dfs h GLU 53 Ca 0.29 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3dfs h GLU 53 Cb -0.08 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3dfs h GLU 53 CO -0.06 0.74 0.16 -0.91 -1.18 0.00 0.00 179.01 177.76 3dfs h ASN 54 N 0.67 0.96 -0.17 1.04 2.35 -1.80 0.21 115.58 118.84 3dfs h ASN 54 Ca 0.16 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3dfs h ASN 54 Cb 0.29 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3dfs h ASN 54 CO -0.00 0.94 0.07 0.03 -1.65 0.00 0.00 177.43 176.82 3dfs h ARG 55 N 0.93 0.25 -0.39 0.81 3.08 -1.10 -0.10 114.38 117.85 3dfs h ARG 55 Ca 0.20 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.25 3dfs h ARG 55 Cb 0.35 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 3dfs h ARG 55 CO 0.00 0.31 0.15 -0.09 -1.07 0.00 0.00 179.97 179.27 3dfs h ARG 56 N 0.12 0.30 -0.31 0.04 2.43 -0.62 -0.86 114.38 115.48 3dfs h ARG 56 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dfs h ARG 56 Cb 0.15 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3dfs h ARG 56 CO -0.01 0.20 0.20 0.35 -1.51 0.00 0.00 179.97 179.21 3dfs h PHE 57 N 0.31 0.39 -0.62 2.20 3.57 -0.33 -0.13 116.94 122.34 3dfs h PHE 57 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3dfs h PHE 57 Cb 0.15 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3dfs h PHE 57 CO -0.14 0.24 0.29 -0.92 -2.23 0.00 0.00 178.31 175.55 3dfs h TYR 58 N 0.42 0.89 -0.43 0.41 3.20 -0.66 -0.52 116.97 120.28 3dfs h TYR 58 Ca 0.11 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3dfs h TYR 58 Cb -0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3dfs h TYR 58 CO -0.06 0.68 -0.10 0.00 -1.64 0.00 0.00 178.16 177.05 3dfs h ARG 59 N 0.85 0.77 -0.59 1.82 -0.00 -0.95 -2.35 114.38 113.93 3dfs h ARG 59 Ca 0.21 -0.25 -0.05 0.00 -0.50 0.00 0.00 59.98 59.39 3dfs h ARG 59 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 29.97 30.01 3dfs h ARG 59 CO -0.03 0.84 0.15 0.37 0.00 0.00 0.00 179.97 181.31 3dfs h GLN 60 N 0.70 0.91 -0.53 0.04 4.15 -0.58 -0.49 115.11 119.31 3dfs h GLN 60 Ca 0.12 -0.19 0.05 0.00 0.77 0.00 0.00 58.65 59.40 3dfs h GLN 60 Cb 0.57 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 3dfs h GLN 60 CO 0.04 0.80 0.27 1.25 -1.93 0.00 0.00 178.83 179.26 3dfs h LEU 61 N 0.87 0.39 -0.03 -2.39 6.46 -0.58 -0.97 115.31 119.05 3dfs h LEU 61 Ca 0.19 0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 3dfs h LEU 61 Cb 0.30 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3dfs h LEU 61 CO -0.00 0.27 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.93 3dfs h LEU 62 N 0.53 0.14 -1.76 2.25 3.38 -1.09 -3.29 115.31 115.47 3dfs h LEU 62 Ca 0.23 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3dfs h LEU 62 Cb 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dfs h LEU 62 CO -0.16 0.71 -0.14 -0.07 0.09 0.00 0.00 178.44 178.87 3dfs h LEU 63 N -0.43 0.00 -3.47 1.67 3.38 -1.00 -3.12 115.31 112.35 3dfs h LEU 63 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dfs h LEU 63 Cb 0.70 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3dfs h LEU 63 CO 0.02 0.14 0.05 0.35 0.09 0.00 0.00 178.44 179.10 3dfs n THR 64 N -3.60 2.61 -0.81 0.22 -2.24 -0.38 -4.80 114.28 105.28 3dfs n THR 64 Ca -0.01 -1.74 -0.31 0.00 -2.27 0.00 0.00 64.05 59.71 3dfs n THR 64 Cb 0.28 -0.29 0.15 0.00 -2.10 0.00 0.00 70.33 68.37 3dfs n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dfs s ALA 65 N -2.88 1.60 1.04 6.98 0.00 -1.18 -4.94 121.76 122.38 3dfs s ALA 65 Ca 0.49 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.91 3dfs s ALA 65 Cb 0.39 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 20.22 3dfs s ALA 65 CO 0.12 -2.60 0.67 -0.40 0.00 0.00 0.00 175.76 173.55 3dfs n ASP 66 N -4.04 -1.44 0.00 0.00 5.68 -1.26 -4.83 116.55 110.67 3dfs n ASP 66 Ca 0.12 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.53 3dfs n ASP 66 Cb 0.52 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.26 3dfs n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dfs n ASP 67 N -3.13 0.00 0.25 -1.12 8.00 -1.26 -2.53 116.55 116.76 3dfs n ASP 67 Ca 0.06 0.24 0.12 0.00 0.71 0.00 0.00 54.79 55.93 3dfs n ASP 67 Cb 0.55 -0.24 0.66 0.00 -0.02 0.00 0.00 41.12 42.06 3dfs n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dfs h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -2.60 114.38 111.62 3dfs h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dfs h ARG 68 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3dfs h ARG 68 CO 0.00 0.14 -0.39 -0.39 -1.07 0.00 0.00 179.97 178.27 3dfs h VAL 69 N 0.00 0.00 -0.45 2.04 -1.51 -1.82 -3.38 116.25 111.12 3dfs h VAL 69 Ca -0.00 -0.62 0.09 0.00 -1.23 0.00 0.00 66.70 64.94 3dfs h VAL 69 Cb 0.47 1.38 -0.10 0.00 -2.13 0.00 0.00 31.29 30.91 3dfs h VAL 69 CO 0.02 0.00 -0.25 0.78 -1.23 0.00 0.00 177.57 176.88 3dfs h ASN 70 N 0.00 -0.86 0.67 4.19 4.21 -1.68 0.15 115.58 122.26 3dfs h ASN 70 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 3dfs h ASN 70 Cb 0.81 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 3dfs h ASN 70 CO 0.00 -0.27 0.00 -0.81 -1.29 0.00 0.00 177.43 175.06 3dfs n PRO 71 N -5.41 0.01 -0.02 0.81 -0.04 -1.26 -3.33 135.00 125.76 3dfs n PRO 71 Ca 0.03 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.55 3dfs n PRO 71 Cb 0.32 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 3dfs n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dfs s ILE 73 N -2.58 4.68 -0.22 0.00 -1.09 -0.14 -0.71 121.20 121.13 3dfs s ILE 73 Ca -0.10 -0.88 0.20 0.00 -2.23 0.00 0.00 60.65 57.64 3dfs s ILE 73 Cb 0.08 -3.64 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3dfs s ILE 73 CO 0.81 -0.28 1.14 1.23 -1.23 0.00 0.00 174.94 176.60 3dfs h GLY 74 N 8.48 0.00 -3.22 6.18 0.00 -0.23 -3.39 103.07 110.89 3dfs h GLY 74 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3dfs h GLY 74 CO 0.69 0.00 0.22 -0.32 0.00 0.00 0.00 176.54 177.13 3dfs s GLY 75 N -4.48 -0.60 -0.07 4.60 0.00 -1.11 -1.21 107.32 104.46 3dfs s GLY 75 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.41 3dfs s GLY 75 CO 0.77 0.33 -0.04 0.14 0.00 0.00 0.00 173.10 174.30 3dfs s VAL 76 N -3.21 0.60 -0.16 1.40 1.01 -0.05 -1.29 120.40 118.70 3dfs s VAL 76 Ca -0.01 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3dfs s VAL 76 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3dfs s VAL 76 CO -0.08 0.27 0.43 -0.63 0.00 0.00 0.00 175.10 175.08 3dfs s ILE 77 N 1.37 5.20 0.29 2.22 1.01 -0.06 -0.33 121.20 130.89 3dfs s ILE 77 Ca -0.04 0.81 0.11 0.00 0.00 0.00 0.00 60.65 61.54 3dfs s ILE 77 Cb -0.13 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3dfs s ILE 77 CO -0.03 0.29 -0.14 -0.76 0.00 0.00 0.00 174.94 174.30 3dfs s LEU 78 N 0.95 2.75 0.31 2.97 1.43 -0.27 -1.46 118.68 125.36 3dfs s LEU 78 Ca 0.22 -0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 3dfs s LEU 78 Cb -0.15 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 3dfs s LEU 78 CO 0.08 -0.00 0.59 0.12 0.23 0.00 0.00 176.35 177.37 3dfs s PHE 79 N -2.48 3.48 0.22 0.29 5.36 -1.26 -1.99 117.98 121.61 3dfs s PHE 79 Ca 0.31 0.68 -0.18 0.00 -0.96 0.00 0.00 56.93 56.78 3dfs s PHE 79 Cb -0.04 -2.14 0.22 0.00 -0.34 0.00 0.00 43.02 40.72 3dfs s PHE 79 CO 0.16 0.12 1.56 1.25 -1.46 0.00 0.00 175.22 176.85 3dfs h HIS 80 N 1.52 -1.07 -0.32 10.12 6.17 -1.92 -1.33 115.15 128.32 3dfs h HIS 80 Ca -0.48 0.10 0.07 0.00 0.71 0.00 0.00 60.37 60.78 3dfs h HIS 80 Cb 1.19 0.60 -0.08 0.00 2.52 0.00 0.00 27.41 31.64 3dfs h HIS 80 CO 0.58 -0.40 -0.25 1.49 0.71 0.00 0.00 177.93 180.05 3dfs h GLU 81 N -0.03 -0.21 0.00 5.26 4.81 -1.98 -1.94 114.58 120.49 3dfs h GLU 81 Ca 0.33 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3dfs h GLU 81 Cb 0.59 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3dfs h GLU 81 CO -0.94 -0.14 -0.12 1.15 -0.73 0.00 0.00 179.01 178.23 3dfs h THR 82 N -0.22 0.94 0.00 0.32 2.02 -1.65 -2.14 112.91 112.18 3dfs h THR 82 Ca 0.16 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3dfs h THR 82 Cb 0.47 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3dfs h THR 82 CO -0.45 0.11 -0.11 0.25 0.37 0.00 0.00 175.52 175.69 3dfs h LEU 83 N 0.00 0.00 -3.00 2.58 5.85 -0.79 -2.55 115.31 117.40 3dfs h LEU 83 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dfs h LEU 83 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3dfs h LEU 83 CO 0.02 0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 177.01 3dfs n TYR 84 N -3.64 0.72 -3.21 1.25 4.01 -0.82 -4.58 117.16 110.90 3dfs n TYR 84 Ca -0.02 -0.61 -0.21 0.00 -0.16 0.00 0.00 57.90 56.90 3dfs n TYR 84 Cb 0.23 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3dfs n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dfs s GLN 85 N -1.55 3.09 0.13 -0.72 -0.21 -0.96 -4.99 119.66 114.44 3dfs s GLN 85 Ca 0.32 -0.72 0.07 0.00 0.02 0.00 0.00 55.36 55.05 3dfs s GLN 85 Cb 0.21 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 3dfs s GLN 85 CO 0.16 -0.12 -0.16 0.15 -2.12 0.00 0.00 175.29 173.20 3dfs s LYS 86 N -4.38 1.08 0.91 2.91 1.02 -1.26 -1.74 119.74 118.28 3dfs s LYS 86 Ca 0.47 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 3dfs s LYS 86 Cb -0.10 -1.07 0.14 0.00 -0.52 0.00 0.00 37.83 36.29 3dfs s LYS 86 CO 0.35 0.22 1.19 0.00 -0.92 0.00 0.00 175.35 176.19 3dfs s ALA 87 N -1.92 2.07 0.57 5.17 0.00 -0.09 -4.87 121.76 122.69 3dfs s ALA 87 Ca 0.09 -0.75 0.27 0.00 0.00 0.00 0.00 51.96 51.57 3dfs s ALA 87 Cb -0.06 -2.94 1.52 0.00 0.00 0.00 0.00 23.12 21.64 3dfs s ALA 87 CO 0.04 -2.23 2.05 -0.44 0.00 0.00 0.00 175.76 175.18 3dfs h ASP 88 N -1.47 0.00 -0.15 0.00 3.32 -1.99 0.38 116.42 116.51 3dfs h ASP 88 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3dfs h ASP 88 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3dfs h ASP 88 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 3dfs n ASP 89 N -4.03 1.15 0.00 6.45 5.68 -1.26 -4.90 116.55 119.64 3dfs n ASP 89 Ca 0.04 -1.74 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3dfs n ASP 89 Cb 0.43 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3dfs n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dfs n GLY 90 N 0.97 1.62 3.71 6.12 0.00 0.12 -5.03 105.19 112.70 3dfs n GLY 90 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3dfs n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfs s ARG 91 N -0.34 4.44 0.43 1.61 0.52 -1.26 -4.72 118.95 119.64 3dfs s ARG 91 Ca 0.00 1.68 -0.26 0.00 -0.52 0.00 0.00 55.73 56.63 3dfs s ARG 91 Cb 0.00 -3.42 -0.09 0.00 0.52 0.00 0.00 34.95 31.96 3dfs s ARG 91 CO 0.00 -0.27 1.41 -2.14 0.02 0.00 0.00 175.30 174.32 3dfs s PRO 92 N 1.35 3.78 0.41 3.54 0.02 -1.26 -0.92 135.00 141.92 3dfs s PRO 92 Ca 0.57 2.38 0.16 0.00 0.02 0.00 0.00 61.00 64.13 3dfs s PRO 92 Cb -0.27 -2.71 1.04 0.00 0.02 0.00 0.00 34.50 32.58 3dfs s PRO 92 CO 0.27 -0.73 1.86 0.74 -0.33 0.00 0.00 177.00 178.81 3dfs h PHE 93 N 2.46 0.59 -0.47 6.54 0.04 -1.61 0.11 116.94 124.61 3dfs h PHE 93 Ca -0.51 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.24 3dfs h PHE 93 Cb 1.26 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 39.20 3dfs h PHE 93 CO 0.51 0.17 0.13 -1.35 -0.60 0.00 0.00 178.31 177.17 3dfs h PRO 94 N 0.46 0.70 -0.33 1.51 0.11 -1.85 -0.09 132.00 132.50 3dfs h PRO 94 Ca 0.47 -0.12 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 3dfs h PRO 94 Cb 1.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3dfs h PRO 94 CO -0.19 0.62 -0.39 0.37 -0.21 0.00 0.00 178.00 178.21 3dfs h GLN 95 N 0.68 0.80 -0.22 1.05 4.15 -1.35 -1.39 115.11 118.83 3dfs h GLN 95 Ca 0.16 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.16 3dfs h GLN 95 Cb 0.23 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3dfs h GLN 95 CO -0.01 1.04 0.11 0.28 -1.93 0.00 0.00 178.83 178.33 3dfs h VAL 96 N 0.65 1.13 -0.24 2.39 2.07 -0.75 -0.11 116.25 121.39 3dfs h VAL 96 Ca 0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3dfs h VAL 96 Cb 0.95 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3dfs h VAL 96 CO 0.09 0.12 0.16 0.40 0.02 0.00 0.00 177.57 178.36 3dfs h ILE 97 N 0.23 1.06 -0.41 4.57 2.04 -0.92 -2.87 117.51 121.22 3dfs h ILE 97 Ca 0.08 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3dfs h ILE 97 Cb 0.10 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 3dfs h ILE 97 CO -0.01 0.06 -0.03 0.11 0.00 0.00 0.00 178.15 178.28 3dfs h LYS 98 N 0.33 0.67 0.00 2.37 1.57 -1.08 -2.04 116.57 118.38 3dfs h LYS 98 Ca 0.09 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dfs h LYS 98 Cb -0.04 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3dfs h LYS 98 CO -0.02 0.71 0.00 0.66 -0.57 0.00 0.00 179.45 180.23 3dfs h SER 99 N 0.63 0.00 -0.69 0.86 4.64 -0.79 -0.74 113.55 117.46 3dfs h SER 99 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3dfs h SER 99 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3dfs h SER 99 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3dfs n LYS 100 N -3.06 3.51 -0.98 4.77 5.02 -0.94 -4.94 118.16 121.55 3dfs n LYS 100 Ca -0.01 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 3dfs n LYS 100 Cb 0.17 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3dfs n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfs n GLY 101 N 1.31 0.46 3.89 0.72 0.00 -0.28 -4.62 105.19 106.66 3dfs n GLY 101 Ca 0.26 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3dfs n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfs s GLY 102 N -2.44 1.77 0.03 -0.02 0.00 -0.81 -4.83 107.32 101.02 3dfs s GLY 102 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 3dfs s GLY 102 CO 0.00 -1.07 0.40 0.14 0.00 0.00 0.00 173.10 172.57 3dfs s VAL 103 N -1.71 5.06 -0.15 1.40 1.01 -0.35 -3.71 120.40 121.95 3dfs s VAL 103 Ca 0.33 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 3dfs s VAL 103 Cb -0.11 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3dfs s VAL 103 CO 0.26 0.46 0.42 -0.69 0.00 0.00 0.00 175.10 175.56 3dfs s VAL 104 N -1.21 5.21 0.28 2.92 1.01 -1.26 -0.87 120.40 126.49 3dfs s VAL 104 Ca 0.27 0.81 0.11 0.00 0.00 0.00 0.00 61.98 63.17 3dfs s VAL 104 Cb -0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3dfs s VAL 104 CO 0.15 0.31 -0.13 -0.83 0.00 0.00 0.00 175.10 174.61 3dfs s GLY 105 N 0.71 1.83 -0.02 4.51 0.00 0.55 -0.64 107.32 114.26 3dfs s GLY 105 Ca 0.22 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 43.14 3dfs s GLY 105 CO 0.08 -1.89 -0.02 -1.50 0.00 0.00 0.00 173.10 169.77 3dfs s ILE 106 N -2.45 0.26 -0.00 0.90 1.10 -0.52 -1.12 121.20 119.37 3dfs s ILE 106 Ca 0.31 -0.05 -0.30 0.00 -0.51 0.00 0.00 60.65 60.10 3dfs s ILE 106 Cb -0.05 -0.28 -0.03 0.00 0.15 0.00 0.00 42.46 42.24 3dfs s ILE 106 CO 0.17 0.12 1.02 -0.75 -2.11 0.00 0.00 174.94 173.38 3dfs s LYS 107 N 0.46 4.52 0.00 3.50 2.20 -0.84 -1.76 119.74 127.83 3dfs s LYS 107 Ca -0.05 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 3dfs s LYS 107 Cb -0.08 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3dfs s LYS 107 CO -0.01 -0.11 0.08 1.33 -0.36 0.00 0.00 175.35 176.28 3dfs n VAL 108 N 3.99 0.00 -1.53 4.02 0.24 -0.82 -4.64 118.33 119.59 3dfs n VAL 108 Ca 0.07 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.56 3dfs n VAL 108 Cb 0.50 1.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.93 3dfs n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dfs s ASP 109 N -0.84 5.21 -0.34 -1.34 1.47 -1.25 -4.85 116.67 114.73 3dfs s ASP 109 Ca 0.00 1.68 0.07 0.00 1.18 0.00 0.00 52.55 55.48 3dfs s ASP 109 Cb 0.00 -2.50 0.53 0.00 -0.34 0.00 0.00 42.92 40.61 3dfs s ASP 109 CO 0.00 -1.56 1.56 0.29 0.68 0.00 0.00 175.17 176.14 3dfs n LYS 110 N -3.15 2.06 0.00 2.11 5.02 0.81 -4.95 118.16 120.06 3dfs n LYS 110 Ca 0.08 -3.24 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 3dfs n LYS 110 Cb 0.53 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 3dfs n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfs n GLY 111 N -1.09 -0.50 3.88 0.72 0.00 -1.25 -4.73 105.19 102.21 3dfs n GLY 111 Ca 0.40 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 3dfs n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dfs s VAL 112 N -1.90 4.82 0.02 1.61 -7.23 -1.26 -1.36 120.40 115.10 3dfs s VAL 112 Ca 0.00 0.54 0.01 0.00 -1.81 0.00 0.00 61.98 60.71 3dfs s VAL 112 Cb 0.00 -3.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 3dfs s VAL 112 CO 0.00 -0.47 -0.04 0.68 -0.31 0.00 0.00 175.10 174.96 3dfs s VAL 113 N -2.31 0.21 0.33 1.32 -7.23 -0.03 -4.88 120.40 107.81 3dfs s VAL 113 Ca 0.50 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.60 3dfs s VAL 113 Cb -0.10 -0.31 -0.10 0.00 0.56 0.00 0.00 36.38 36.43 3dfs s VAL 113 CO 0.31 -0.37 1.27 -2.16 -0.31 0.00 0.00 175.10 173.83 3dfs s PRO 114 N -1.21 4.35 -0.41 4.82 0.04 -1.26 -1.23 135.00 140.09 3dfs s PRO 114 Ca -0.11 2.13 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 3dfs s PRO 114 Cb -0.08 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.43 3dfs s PRO 114 CO -0.01 -0.16 0.49 -0.51 0.04 0.00 0.00 177.00 176.85 3dfs s LEU 115 N -1.83 4.71 0.44 -3.56 1.43 -0.33 -4.82 118.68 114.72 3dfs s LEU 115 Ca 0.49 -0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 3dfs s LEU 115 Cb -0.38 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 3dfs s LEU 115 CO 0.50 -0.60 1.46 0.00 0.23 0.00 0.00 176.35 177.93 3dfs s ALA 116 N 2.31 3.32 0.00 4.21 0.00 -1.26 -2.78 121.76 127.55 3dfs s ALA 116 Ca 0.15 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.63 3dfs s ALA 116 Cb -0.16 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3dfs s ALA 116 CO 0.15 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.12 3dfs n GLY 117 N 0.54 0.59 3.62 0.00 0.00 -1.26 -5.05 105.19 103.63 3dfs n GLY 117 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3dfs n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfs s THR 118 N -2.00 2.05 -1.23 2.61 -4.23 -1.12 -5.06 115.64 106.67 3dfs s THR 118 Ca 0.00 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 3dfs s THR 118 Cb 0.00 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 71.06 3dfs s THR 118 CO 0.00 -0.02 1.59 -3.20 -0.54 0.00 0.00 174.62 172.45 3dfs n ASN 119 N -0.98 5.25 -0.92 3.99 5.15 -1.26 -4.51 115.26 121.98 3dfs n ASN 119 Ca -0.05 -3.06 -0.11 0.00 -0.60 0.00 0.00 54.58 50.76 3dfs n ASN 119 Cb 0.66 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.36 3dfs n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dfs n GLY 120 N 3.36 1.07 3.91 8.20 0.00 -1.26 -5.01 105.19 115.46 3dfs n GLY 120 Ca 0.37 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 3dfs n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfs s GLU 121 N -3.17 3.28 0.25 1.61 2.02 -1.26 -4.98 118.70 116.45 3dfs s GLU 121 Ca 0.00 0.07 0.01 0.00 0.02 0.00 0.00 54.97 55.07 3dfs s GLU 121 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 3dfs s GLU 121 CO 0.00 -0.39 0.14 0.95 0.02 0.00 0.00 175.26 175.98 3dfs s THR 122 N -2.81 0.22 0.37 3.63 -4.23 -1.26 -1.19 115.64 110.37 3dfs s THR 122 Ca 0.50 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.06 3dfs s THR 122 Cb -0.10 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3dfs s THR 122 CO 0.44 0.00 0.18 1.07 -0.54 0.00 0.00 174.62 175.78 3dfs n THR 123 N -0.41 0.00 -4.86 3.99 5.66 -0.37 -4.80 114.28 113.49 3dfs n THR 123 Ca 0.02 -2.31 -0.27 0.00 -3.05 0.00 0.00 64.05 58.44 3dfs n THR 123 Cb 0.66 0.94 -0.15 0.00 -1.55 0.00 0.00 70.33 70.22 3dfs n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3dfs s THR 124 N -3.12 1.68 0.39 1.09 2.01 -1.26 -0.85 115.64 115.57 3dfs s THR 124 Ca 0.26 -1.04 0.08 0.00 0.31 0.00 0.00 61.69 61.29 3dfs s THR 124 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 3dfs s THR 124 CO 0.18 0.35 0.35 0.00 -0.69 0.00 0.00 174.62 174.82 3dfs s GLN 125 N -0.81 2.60 0.00 4.92 -2.07 -0.46 -4.91 119.66 118.93 3dfs s GLN 125 Ca 0.08 -1.45 0.00 0.00 -1.82 0.00 0.00 55.36 52.17 3dfs s GLN 125 Cb -0.08 -2.42 0.00 0.00 -1.09 0.00 0.00 33.01 29.42 3dfs s GLN 125 CO 0.00 -0.10 0.00 0.41 -1.32 0.00 0.00 175.29 174.29 3dfs n GLY 126 N -1.49 -0.54 0.10 2.60 0.00 -1.26 -0.13 105.19 104.46 3dfs n GLY 126 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 3dfs n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfs h LEU 127 N 0.00 0.00 -9.41 0.99 3.38 -1.90 -3.41 115.31 104.96 3dfs h LEU 127 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3dfs h LEU 127 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3dfs h LEU 127 CO 0.00 0.76 1.14 0.47 0.09 0.00 0.00 178.44 180.90 3dfs n ASP 128 N -3.38 3.93 -0.84 -0.43 10.43 -1.26 -1.36 116.55 123.63 3dfs n ASP 128 Ca 0.00 0.96 -0.11 0.00 2.57 0.00 0.00 54.79 58.21 3dfs n ASP 128 Cb 0.81 -1.50 -0.05 0.00 1.84 0.00 0.00 41.12 42.22 3dfs n ASP 128 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dfs n GLY 129 N 4.34 1.13 0.33 0.44 0.00 -1.26 -4.88 105.19 105.29 3dfs n GLY 129 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 3dfs n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dfs h LEU 130 N 0.00 0.92 -0.14 0.99 5.85 -1.45 -2.30 115.31 119.17 3dfs h LEU 130 Ca -0.22 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3dfs h LEU 130 Cb 0.98 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3dfs h LEU 130 CO 0.33 0.79 0.00 -1.28 -0.34 0.00 0.00 178.44 177.94 3dfs h SER 131 N 1.00 -0.05 -0.74 1.25 0.87 -1.90 0.55 113.55 114.54 3dfs h SER 131 Ca 0.24 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 3dfs h SER 131 Cb 0.13 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 3dfs h SER 131 CO -0.03 -0.00 0.22 -0.33 -0.53 0.00 0.00 176.83 176.16 3dfs h GLU 132 N 0.05 1.16 -0.53 2.24 3.07 -1.94 -1.31 114.58 117.32 3dfs h GLU 132 Ca 0.07 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 3dfs h GLU 132 Cb 0.08 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3dfs h GLU 132 CO -0.11 0.99 0.24 0.00 -1.40 0.00 0.00 179.01 178.73 3dfs h ARG 133 N 1.11 0.77 -0.78 2.33 3.08 -1.06 -1.42 114.38 118.41 3dfs h ARG 133 Ca 0.24 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3dfs h ARG 133 Cb 0.32 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3dfs h ARG 133 CO -0.01 0.65 0.32 0.00 -1.07 0.00 0.00 179.97 179.86 3dfs h ALA 135 N 1.17 1.15 -0.12 0.00 0.00 -0.93 -0.45 119.26 120.07 3dfs h ALA 135 Ca 0.26 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3dfs h ALA 135 Cb 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dfs h ALA 135 CO -0.02 0.65 -0.61 0.37 0.00 0.00 0.00 179.25 179.63 3dfs h GLN 136 N 1.19 0.63 -0.75 0.00 5.75 -0.83 -2.85 115.11 118.25 3dfs h GLN 136 Ca 0.29 -0.52 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3dfs h GLN 136 Cb 0.10 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 3dfs h GLN 136 CO -0.04 1.14 0.37 1.88 -2.65 0.00 0.00 178.83 179.53 3dfs h TYR 137 N 0.29 1.06 -0.55 3.99 0.05 -0.60 -1.28 116.97 119.93 3dfs h TYR 137 Ca -0.04 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.70 3dfs h TYR 137 Cb 1.25 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 3dfs h TYR 137 CO 0.10 0.76 0.37 -0.22 -1.05 0.00 0.00 178.16 178.12 3dfs h LYS 138 N 1.07 0.73 -0.09 4.88 1.63 -1.08 -0.57 116.57 123.14 3dfs h LYS 138 Ca 0.26 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 3dfs h LYS 138 Cb 0.09 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3dfs h LYS 138 CO -0.04 0.48 -0.20 0.87 -3.45 0.00 0.00 179.45 177.12 3dfs h LYS 139 N 0.75 0.14 -0.61 1.90 1.57 -1.16 -2.72 116.57 116.43 3dfs h LYS 139 Ca 0.20 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3dfs h LYS 139 Cb -0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3dfs h LYS 139 CO -0.04 0.34 0.00 -0.25 -0.57 0.00 0.00 179.45 178.93 3dfs n ASP 140 N -4.25 2.65 0.00 0.86 8.00 -0.54 -4.89 116.55 118.39 3dfs n ASP 140 Ca -0.01 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.23 3dfs n ASP 140 Cb 0.29 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 3dfs n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfs n GLY 141 N 0.61 0.49 3.78 0.44 0.00 -1.03 -4.93 105.19 104.56 3dfs n GLY 141 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3dfs n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfs s ALA 142 N -2.00 3.47 0.00 4.61 0.00 -0.30 -4.42 121.76 123.11 3dfs s ALA 142 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3dfs s ALA 142 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3dfs s ALA 142 CO 0.00 0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.81 3dfs n ASP 143 N 1.66 3.31 -4.13 0.00 8.00 0.19 -4.04 116.55 121.55 3dfs n ASP 143 Ca -0.06 -0.16 -0.10 0.00 0.71 0.00 0.00 54.79 55.18 3dfs n ASP 143 Cb 0.49 0.98 -0.10 0.00 -0.02 0.00 0.00 41.12 42.47 3dfs n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3dfs s PHE 144 N -1.64 0.85 0.24 1.24 -0.71 -1.17 -0.97 117.98 115.81 3dfs s PHE 144 Ca 0.00 -1.20 0.01 0.00 -1.04 0.00 0.00 56.93 54.70 3dfs s PHE 144 Cb 0.00 -0.43 -0.04 0.00 -1.21 0.00 0.00 43.02 41.33 3dfs s PHE 144 CO 0.00 -0.57 0.13 0.00 -1.34 0.00 0.00 175.22 173.44 3dfs s ALA 145 N -4.06 1.46 0.00 1.99 0.00 0.17 -1.44 121.76 119.89 3dfs s ALA 145 Ca 0.26 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.45 3dfs s ALA 145 Cb 0.07 1.27 -0.01 0.00 0.00 0.00 0.00 23.12 24.45 3dfs s ALA 145 CO 0.03 -0.55 -0.04 0.21 0.00 0.00 0.00 175.76 175.42 3dfs s LYS 146 N -4.05 0.28 -0.06 0.00 2.20 -0.72 -1.31 119.74 116.08 3dfs s LYS 146 Ca 0.38 -0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.75 3dfs s LYS 146 Cb 0.07 -0.21 0.04 0.00 -1.51 0.00 0.00 37.83 36.21 3dfs s LYS 146 CO 0.14 0.05 0.11 -0.46 -0.36 0.00 0.00 175.35 174.83 3dfs s TRP 147 N -0.34 -0.07 -0.21 4.03 -0.11 -1.23 -1.94 118.94 119.08 3dfs s TRP 147 Ca -0.02 0.41 -0.06 0.00 1.22 0.00 0.00 56.10 57.65 3dfs s TRP 147 Cb -0.03 -0.31 -0.03 0.00 -1.50 0.00 0.00 33.47 31.60 3dfs s TRP 147 CO -0.00 -0.20 0.04 0.50 -4.62 0.00 0.00 176.95 172.66 3dfs s ARG 148 N 1.93 3.73 0.05 5.86 3.52 -1.26 -2.81 118.95 129.96 3dfs s ARG 148 Ca 0.00 -0.46 0.05 0.00 -0.13 0.00 0.00 55.73 55.19 3dfs s ARG 148 Cb -0.12 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3dfs s ARG 148 CO -0.04 0.03 -0.07 0.00 -0.81 0.00 0.00 175.30 174.41 3dfs s VAL 150 N -1.12 1.37 0.16 0.00 1.01 -1.26 -1.69 120.40 118.86 3dfs s VAL 150 Ca 0.20 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 61.68 3dfs s VAL 150 Cb -0.11 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3dfs s VAL 150 CO 0.11 0.41 -0.20 -0.76 0.00 0.00 0.00 175.10 174.66 3dfs s LEU 151 N 0.79 2.41 0.00 3.92 1.43 0.03 -4.50 118.68 122.77 3dfs s LEU 151 Ca -0.11 -0.83 0.04 0.00 -1.03 0.00 0.00 54.13 52.19 3dfs s LEU 151 Cb -0.16 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.14 3dfs s LEU 151 CO 0.02 0.02 -0.11 -0.75 0.23 0.00 0.00 176.35 175.76 3dfs s LYS 152 N -2.59 0.85 -0.23 1.70 2.20 -1.26 -1.01 119.74 119.40 3dfs s LYS 152 Ca 0.15 -0.48 -0.19 0.00 -0.36 0.00 0.00 55.97 55.09 3dfs s LYS 152 Cb -0.07 -0.82 -0.03 0.00 -1.51 0.00 0.00 37.83 35.41 3dfs s LYS 152 CO 0.07 0.22 0.55 0.42 -0.36 0.00 0.00 175.35 176.25 3dfs s ILE 153 N -0.44 5.06 0.00 5.43 1.01 -1.26 -2.12 121.20 128.88 3dfs s ILE 153 Ca 0.03 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.67 3dfs s ILE 153 Cb -0.05 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3dfs s ILE 153 CO -0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3dfs n GLY 154 N 4.09 2.75 0.35 6.18 0.00 -0.52 -4.78 105.19 113.26 3dfs n GLY 154 Ca -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 3dfs n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dfs h GLU 155 N 0.00 1.07 0.00 1.61 4.39 -2.02 -3.22 114.58 116.41 3dfs h GLU 155 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3dfs h GLU 155 Cb 0.00 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 3dfs h GLU 155 CO 0.00 0.77 -0.00 0.72 -1.16 0.00 0.00 179.01 179.34 3dfs n HIS 156 N -4.36 0.00 -4.22 4.33 8.25 -1.26 -5.05 115.22 112.91 3dfs n HIS 156 Ca 0.08 -0.53 -0.17 0.00 -0.26 0.00 0.00 57.72 56.84 3dfs n HIS 156 Cb 0.09 -0.06 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 3dfs n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dfs s THR 157 N -1.12 1.24 0.24 1.59 -4.23 -1.22 -3.60 115.64 108.54 3dfs s THR 157 Ca 0.02 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 3dfs s THR 157 Cb 0.02 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.31 3dfs s THR 157 CO 0.00 -0.43 1.15 -2.16 -0.54 0.00 0.00 174.62 172.64 3dfs s PRO 158 N -2.62 4.57 0.82 3.99 0.04 -0.90 -1.43 135.00 139.47 3dfs s PRO 158 Ca 0.07 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 3dfs s PRO 158 Cb -0.05 -3.21 0.09 0.00 0.04 0.00 0.00 34.50 31.37 3dfs s PRO 158 CO 0.02 0.07 1.11 -1.54 0.04 0.00 0.00 177.00 176.71 3dfs s SER 159 N -0.43 4.28 0.21 6.66 1.04 -1.24 -4.84 113.70 119.38 3dfs s SER 159 Ca 0.48 1.15 -0.10 0.00 0.48 0.00 0.00 55.95 57.97 3dfs s SER 159 Cb -0.32 -1.83 0.20 0.00 0.10 0.00 0.00 66.02 64.17 3dfs s SER 159 CO 0.40 -2.09 1.85 0.00 0.98 0.00 0.00 173.24 174.38 3dfs h ALA 160 N -1.17 0.95 0.09 5.32 0.00 -2.00 -1.45 119.26 121.00 3dfs h ALA 160 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dfs h ALA 160 Cb 1.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3dfs h ALA 160 CO 0.61 0.24 -0.04 1.25 0.00 0.00 0.00 179.25 181.31 3dfs h LEU 161 N 0.89 -0.10 -0.62 0.00 5.85 -1.99 -1.18 115.31 118.17 3dfs h LEU 161 Ca 0.29 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3dfs h LEU 161 Cb 0.02 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 3dfs h LEU 161 CO -0.11 0.03 0.28 0.00 -0.34 0.00 0.00 178.44 178.30 3dfs h ALA 162 N 0.69 0.81 0.12 1.25 0.00 -1.86 0.71 119.26 120.98 3dfs h ALA 162 Ca -0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dfs h ALA 162 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dfs h ALA 162 CO 0.02 -0.10 -0.06 0.82 0.00 0.00 0.00 179.25 179.93 3dfs h ILE 163 N 0.51 0.99 -0.06 0.00 2.04 -1.16 -1.62 117.51 118.20 3dfs h ILE 163 Ca 0.30 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3dfs h ILE 163 Cb 0.30 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3dfs h ILE 163 CO -0.25 0.10 0.02 -0.03 0.00 0.00 0.00 178.15 178.00 3dfs h MET 164 N -0.35 0.05 -0.47 2.37 4.05 -0.89 -1.85 114.93 117.85 3dfs h MET 164 Ca -0.02 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 3dfs h MET 164 Cb 0.29 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 3dfs h MET 164 CO 0.03 0.04 0.14 1.49 0.23 0.00 0.00 176.91 178.84 3dfs h GLU 165 N 0.06 0.73 -0.34 0.39 4.57 -0.89 -1.35 114.58 117.75 3dfs h GLU 165 Ca 0.02 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 3dfs h GLU 165 Cb 0.01 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3dfs h GLU 165 CO -0.02 0.69 -0.21 -0.91 -1.18 0.00 0.00 179.01 177.39 3dfs h ASN 166 N 0.62 0.64 -0.11 1.04 2.35 -1.27 -1.42 115.58 117.43 3dfs h ASN 166 Ca 0.15 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.57 3dfs h ASN 166 Cb 0.27 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3dfs h ASN 166 CO -0.00 0.85 -0.31 0.00 -1.65 0.00 0.00 177.43 176.31 3dfs h ALA 167 N 1.21 0.93 -0.21 -0.83 0.00 -1.18 -2.20 119.26 116.97 3dfs h ALA 167 Ca 0.09 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3dfs h ALA 167 Cb 0.67 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3dfs h ALA 167 CO 0.05 0.62 -0.18 -0.97 0.00 0.00 0.00 179.25 178.77 3dfs h ASN 168 N 0.51 0.52 0.12 0.00 -1.24 -0.94 -2.39 115.58 112.16 3dfs h ASN 168 Ca 0.06 -0.46 -0.10 0.00 0.71 0.00 0.00 56.30 56.52 3dfs h ASN 168 Cb 0.79 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 3dfs h ASN 168 CO 0.06 0.87 -0.33 1.62 -1.29 0.00 0.00 177.43 178.37 3dfs h VAL 169 N 0.18 1.28 -0.76 2.57 3.04 -1.24 -1.63 116.25 119.68 3dfs h VAL 169 Ca 0.04 -1.34 -0.04 0.00 -1.01 0.00 0.00 66.70 64.35 3dfs h VAL 169 Cb 0.71 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.48 3dfs h VAL 169 CO 0.05 0.41 0.33 -0.07 -1.01 0.00 0.00 177.57 177.28 3dfs h LEU 170 N 0.26 1.02 -0.62 3.16 3.38 -1.34 -0.94 115.31 120.24 3dfs h LEU 170 Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3dfs h LEU 170 Cb 0.71 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3dfs h LEU 170 CO 0.05 0.90 0.23 0.00 0.09 0.00 0.00 178.44 179.71 3dfs h ALA 171 N 1.17 0.80 -0.39 1.53 0.00 -0.87 -0.38 119.26 121.12 3dfs h ALA 171 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3dfs h ALA 171 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dfs h ALA 171 CO -0.03 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.85 3dfs h ARG 172 N 0.87 0.56 -0.56 0.00 2.47 -0.95 -0.68 114.38 116.09 3dfs h ARG 172 Ca 0.20 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3dfs h ARG 172 Cb 0.23 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 3dfs h ARG 172 CO -0.01 0.48 0.34 -0.92 0.56 0.00 0.00 179.97 180.42 3dfs h TYR 173 N 0.50 0.64 -0.58 3.04 3.20 -0.90 -1.91 116.97 120.96 3dfs h TYR 173 Ca 0.14 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3dfs h TYR 173 Cb 0.10 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 3dfs h TYR 173 CO -0.02 0.37 0.00 0.00 -1.64 0.00 0.00 178.16 176.87 3dfs h ALA 174 N 1.25 0.91 0.04 1.82 0.00 -0.74 -1.98 119.26 120.56 3dfs h ALA 174 Ca 0.22 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dfs h ALA 174 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3dfs h ALA 174 CO -0.10 0.65 -0.02 1.03 0.00 0.00 0.00 179.25 180.81 3dfs h SER 175 N 0.92 -0.05 -0.79 0.00 0.87 -0.77 -1.83 113.55 111.90 3dfs h SER 175 Ca 0.17 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3dfs h SER 175 Cb 0.53 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 3dfs h SER 175 CO 0.03 0.04 0.43 0.40 -0.53 0.00 0.00 176.83 177.19 3dfs h ILE 176 N -0.13 1.24 -0.18 2.23 2.04 -1.29 -2.55 117.51 118.87 3dfs h ILE 176 Ca -0.01 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3dfs h ILE 176 Cb 0.12 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3dfs h ILE 176 CO 0.01 0.26 0.10 0.00 0.00 0.00 0.00 178.15 178.52 3dfs h GLN 178 N 0.21 0.00 0.00 0.00 4.20 -1.12 -0.72 115.11 117.68 3dfs h GLN 178 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dfs h GLN 178 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3dfs h GLN 178 CO -0.04 0.10 0.00 1.04 -0.67 0.00 0.00 178.83 179.27 3dfs n GLN 179 N -3.52 0.06 -0.10 1.46 1.13 -0.98 -3.18 117.38 112.25 3dfs n GLN 179 Ca -0.02 0.16 0.09 0.00 -1.94 0.00 0.00 57.00 55.29 3dfs n GLN 179 Cb 0.24 -1.59 0.14 0.00 0.11 0.00 0.00 30.24 29.14 3dfs n GLN 179 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3dfs n ASN 180 N -1.70 2.47 -0.91 1.08 3.02 -0.40 -4.98 115.26 113.86 3dfs n ASN 180 Ca 0.05 -2.95 -0.10 0.00 -0.03 0.00 0.00 54.58 51.54 3dfs n ASN 180 Cb 0.29 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3dfs n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfs n GLY 181 N -1.22 0.84 3.39 7.41 0.00 -1.14 -4.78 105.19 109.70 3dfs n GLY 181 Ca 0.15 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3dfs n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfs s ILE 182 N -2.43 3.66 -0.17 -0.61 -1.09 -0.50 -4.83 121.20 115.23 3dfs s ILE 182 Ca 0.00 -0.41 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 3dfs s ILE 182 Cb 0.00 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3dfs s ILE 182 CO 0.00 0.44 1.22 -0.69 -1.23 0.00 0.00 174.94 174.68 3dfs s VAL 183 N 1.06 4.35 -0.10 2.92 1.01 -0.14 -3.25 120.40 126.25 3dfs s VAL 183 Ca 0.01 1.63 -0.21 0.00 0.00 0.00 0.00 61.98 63.41 3dfs s VAL 183 Cb -0.15 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3dfs s VAL 183 CO 0.01 -0.14 0.62 -2.16 0.00 0.00 0.00 175.10 173.42 3dfs s PRO 184 N 3.41 4.38 -0.32 2.72 0.04 -1.26 -0.65 135.00 143.31 3dfs s PRO 184 Ca 0.53 0.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 3dfs s PRO 184 Cb -0.21 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 30.86 3dfs s PRO 184 CO 0.13 0.06 0.49 0.42 0.04 0.00 0.00 177.00 178.14 3dfs s ILE 185 N 0.88 5.05 -0.38 0.56 1.01 -0.43 -2.41 121.20 125.49 3dfs s ILE 185 Ca 0.33 0.45 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 3dfs s ILE 185 Cb -0.17 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3dfs s ILE 185 CO 0.14 -0.11 0.84 -0.69 0.00 0.00 0.00 174.94 175.12 3dfs s VAL 186 N 2.32 4.65 -0.49 2.92 1.01 0.06 -3.53 120.40 127.35 3dfs s VAL 186 Ca 0.18 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.09 3dfs s VAL 186 Cb -0.16 -4.28 0.13 0.00 0.00 0.00 0.00 36.38 32.07 3dfs s VAL 186 CO 0.12 -0.53 0.28 -0.70 0.00 0.00 0.00 175.10 174.27 3dfs s GLU 187 N 3.30 2.15 -1.05 2.72 2.12 -1.12 -0.57 118.70 126.25 3dfs s GLU 187 Ca 0.34 -2.17 -0.07 0.00 0.36 0.00 0.00 54.97 53.43 3dfs s GLU 187 Cb -0.12 -3.57 0.26 0.00 0.26 0.00 0.00 34.13 30.96 3dfs s GLU 187 CO 0.19 -1.10 1.01 -1.25 -0.54 0.00 0.00 175.26 173.57 3dfs s PRO 188 N 0.52 3.93 -0.06 4.30 0.04 -1.24 -1.03 135.00 141.46 3dfs s PRO 188 Ca 0.13 -3.24 -0.30 0.00 0.04 0.00 0.00 61.00 57.63 3dfs s PRO 188 Cb -0.22 -4.38 -0.03 0.00 0.04 0.00 0.00 34.50 29.92 3dfs s PRO 188 CO -0.04 -1.25 1.13 -2.00 0.04 0.00 0.00 177.00 174.89 3dfs s GLU 189 N -1.29 4.39 -0.39 4.56 2.12 -0.69 -4.55 118.70 122.85 3dfs s GLU 189 Ca 0.30 1.59 -0.13 0.00 0.36 0.00 0.00 54.97 57.08 3dfs s GLU 189 Cb -0.09 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.78 3dfs s GLU 189 CO -0.09 -0.37 0.26 0.42 -0.54 0.00 0.00 175.26 174.94 3dfs s ILE 190 N 2.00 5.08 0.59 -3.70 1.01 -1.26 -0.79 121.20 124.13 3dfs s ILE 190 Ca 0.54 -0.62 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3dfs s ILE 190 Cb -0.23 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3dfs s ILE 190 CO 0.22 -0.23 1.18 0.18 0.00 0.00 0.00 174.94 176.29 3dfs n LEU 191 N 5.11 4.84 -0.14 2.97 4.77 -0.18 -4.84 117.00 129.53 3dfs n LEU 191 Ca -0.12 0.88 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 3dfs n LEU 191 Cb 0.47 -1.49 0.64 0.00 -2.33 0.00 0.00 43.42 40.71 3dfs n LEU 191 CO 0.39 -1.21 0.89 -0.81 -1.33 0.00 0.00 177.39 175.32 3dfs n PRO 192 N -1.19 0.81 -1.71 3.23 -0.04 -1.26 -4.50 135.00 130.33 3dfs n PRO 192 Ca 0.13 -0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 62.89 3dfs n PRO 192 Cb 0.46 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3dfs n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dfs n ASP 193 N -0.86 3.02 0.00 3.54 9.92 -1.26 -0.28 116.55 130.63 3dfs n ASP 193 Ca 0.16 1.19 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 3dfs n ASP 193 Cb 0.27 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.24 3dfs n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dfs n GLY 194 N 1.12 1.13 0.79 0.44 0.00 -1.26 -4.58 105.19 102.83 3dfs n GLY 194 Ca 0.06 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.89 3dfs n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dfs n ASP 195 N 0.00 3.46 -4.69 1.61 5.68 -1.26 -0.48 116.55 120.87 3dfs n ASP 195 Ca 0.00 -2.52 -0.30 0.00 -0.50 0.00 0.00 54.79 51.46 3dfs n ASP 195 Cb 0.00 -0.40 0.15 0.00 -1.14 0.00 0.00 41.12 39.73 3dfs n ASP 195 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 3dfs s HIS 196 N -1.94 1.99 0.48 2.11 -3.43 -1.26 -4.27 115.29 108.98 3dfs s HIS 196 Ca 0.33 1.55 0.07 0.00 -0.80 0.00 0.00 55.06 56.22 3dfs s HIS 196 Cb 0.24 -3.19 0.08 0.00 -1.43 0.00 0.00 32.58 28.27 3dfs s HIS 196 CO 0.12 -2.57 0.67 -0.40 -2.00 0.00 0.00 174.74 170.56 3dfs n ASP 197 N -4.05 1.66 -0.09 7.38 5.68 -1.26 0.04 116.55 125.92 3dfs n ASP 197 Ca 0.09 -2.22 -0.07 0.00 -0.50 0.00 0.00 54.79 52.09 3dfs n ASP 197 Cb 0.53 -0.36 0.01 0.00 -1.14 0.00 0.00 41.12 40.15 3dfs n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dfs h LEU 198 N 0.00 0.10 -1.46 -2.12 5.85 -1.91 -2.42 115.31 113.35 3dfs h LEU 198 Ca -0.22 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3dfs h LEU 198 Cb 1.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3dfs h LEU 198 CO 0.31 0.09 -0.12 0.07 -0.34 0.00 0.00 178.44 178.45 3dfs h LYS 199 N 0.24 0.20 -0.29 1.25 2.10 -1.96 -1.25 116.57 116.86 3dfs h LYS 199 Ca 0.15 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.71 3dfs h LYS 199 Cb 0.13 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 3dfs h LYS 199 CO -0.16 0.34 0.00 -0.09 -2.00 0.00 0.00 179.45 177.54 3dfs h ARG 200 N 0.19 0.52 -0.70 0.07 9.65 -1.84 -0.64 114.38 121.63 3dfs h ARG 200 Ca 0.04 -0.17 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 3dfs h ARG 200 Cb 0.34 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.85 3dfs h ARG 200 CO 0.02 0.67 0.28 0.00 2.80 0.00 0.00 179.97 183.74 3dfs h GLN 202 N 1.02 0.97 -0.02 0.00 4.15 -0.98 0.25 115.11 120.50 3dfs h GLN 202 Ca 0.24 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dfs h GLN 202 Cb 0.19 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.76 3dfs h GLN 202 CO -0.02 0.90 0.01 -0.92 -1.93 0.00 0.00 178.83 176.87 3dfs h TYR 203 N 0.88 0.03 -0.59 3.99 3.20 -0.73 -1.33 116.97 122.41 3dfs h TYR 203 Ca 0.19 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3dfs h TYR 203 Cb 0.37 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3dfs h TYR 203 CO 0.03 0.12 0.20 0.28 -1.64 0.00 0.00 178.16 177.15 3dfs h VAL 204 N -0.08 1.24 -0.89 1.81 2.07 -1.20 -2.11 116.25 117.08 3dfs h VAL 204 Ca 0.01 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3dfs h VAL 204 Cb 0.11 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3dfs h VAL 204 CO -0.00 0.30 0.52 0.74 0.02 0.00 0.00 177.57 179.15 3dfs h THR 205 N 0.83 1.25 -0.58 2.57 2.02 -0.82 -0.42 112.91 117.76 3dfs h THR 205 Ca 0.19 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 3dfs h THR 205 Cb 0.26 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3dfs h THR 205 CO -0.01 0.27 0.08 -0.33 0.37 0.00 0.00 175.52 175.90 3dfs h GLU 206 N 1.24 0.98 -0.46 6.66 5.08 -0.99 -1.15 114.58 125.94 3dfs h GLU 206 Ca 0.32 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3dfs h GLU 206 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3dfs h GLU 206 CO -0.06 0.94 -0.16 0.87 -1.00 0.00 0.00 179.01 179.60 3dfs h LYS 207 N 0.87 0.92 -0.23 2.33 1.79 -1.02 -1.82 116.57 119.41 3dfs h LYS 207 Ca 0.18 -0.38 -0.03 0.00 -2.18 0.00 0.00 60.65 58.24 3dfs h LYS 207 Cb 0.44 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 3dfs h LYS 207 CO 0.01 1.03 0.02 0.28 -1.08 0.00 0.00 179.45 179.72 3dfs h VAL 208 N 0.76 1.24 -0.36 0.50 2.07 -0.99 -2.29 116.25 117.18 3dfs h VAL 208 Ca 0.11 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 3dfs h VAL 208 Cb 0.73 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3dfs h VAL 208 CO 0.06 0.26 -0.09 -0.07 0.02 0.00 0.00 177.57 177.74 3dfs h LEU 209 N 0.17 0.59 -0.77 2.57 3.38 -1.20 0.41 115.31 120.46 3dfs h LEU 209 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3dfs h LEU 209 Cb 0.36 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 3dfs h LEU 209 CO 0.01 0.72 0.37 0.00 0.09 0.00 0.00 178.44 179.62 3dfs h ALA 210 N 1.35 0.99 -0.50 1.53 0.00 -1.22 -0.99 119.26 120.42 3dfs h ALA 210 Ca 0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3dfs h ALA 210 Cb 0.49 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dfs h ALA 210 CO 0.03 0.56 -0.17 0.00 0.00 0.00 0.00 179.25 179.67 3dfs h ALA 211 N 1.19 0.70 0.03 0.00 0.00 -0.81 -2.37 119.26 117.99 3dfs h ALA 211 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dfs h ALA 211 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dfs h ALA 211 CO -0.03 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.13 3dfs h VAL 212 N 0.86 0.99 0.00 0.00 2.07 -0.43 -2.11 116.25 117.63 3dfs h VAL 212 Ca 0.12 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 3dfs h VAL 212 Cb 0.74 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3dfs h VAL 212 CO 0.06 0.01 -0.22 1.88 0.02 0.00 0.00 177.57 179.32 3dfs h TYR 213 N -0.06 0.00 -0.18 1.57 0.05 -1.18 -1.39 116.97 115.78 3dfs h TYR 213 Ca -0.00 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 3dfs h TYR 213 Cb 0.05 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 3dfs h TYR 213 CO -0.07 0.22 -0.61 -0.22 -1.05 0.00 0.00 178.16 176.43 3dfs h LYS 214 N 0.00 0.62 -0.45 4.88 1.63 -1.25 -1.95 116.57 120.06 3dfs h LYS 214 Ca -0.00 -0.42 -0.10 0.00 -0.85 0.00 0.00 60.65 59.28 3dfs h LYS 214 Cb 0.73 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3dfs h LYS 214 CO 0.03 1.04 -0.10 0.00 -3.45 0.00 0.00 179.45 176.97 3dfs h ALA 215 N 0.86 0.61 -0.37 5.00 0.00 -0.96 -0.64 119.26 123.76 3dfs h ALA 215 Ca -0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3dfs h ALA 215 Cb 1.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3dfs h ALA 215 CO 0.12 0.50 0.06 -0.07 0.00 0.00 0.00 179.25 179.86 3dfs h LEU 216 N 0.69 0.51 -0.17 0.00 3.38 -1.19 -0.70 115.31 117.84 3dfs h LEU 216 Ca 0.11 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3dfs h LEU 216 Cb 0.64 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dfs h LEU 216 CO 0.04 0.54 -0.16 -1.28 0.09 0.00 0.00 178.44 177.67 3dfs h SER 217 N 0.54 0.44 -0.35 -0.43 0.87 -1.04 0.91 113.55 114.49 3dfs h SER 217 Ca 0.12 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3dfs h SER 217 Cb 0.25 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3dfs h SER 217 CO 0.00 0.82 0.23 0.44 -0.53 0.00 0.00 176.83 177.79 3dfs h ASP 218 N 0.06 0.40 -0.45 6.23 3.32 -0.64 -1.57 116.42 123.77 3dfs h ASP 218 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3dfs h ASP 218 Cb 0.69 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.15 3dfs h ASP 218 CO 0.04 0.29 0.00 1.41 -1.72 0.00 0.00 179.24 179.26 3dfs n HIS 219 N -4.49 0.69 -3.63 4.55 8.25 -0.31 -4.94 115.22 115.34 3dfs n HIS 219 Ca 0.02 -0.33 -0.24 0.00 -0.26 0.00 0.00 57.72 56.92 3dfs n HIS 219 Cb 0.06 -0.04 0.07 0.00 1.12 0.00 0.00 29.99 31.21 3dfs n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dfs n HIS 220 N 0.81 -2.68 -2.76 4.41 8.25 -0.59 -4.89 115.22 117.78 3dfs n HIS 220 Ca 0.16 0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 58.20 3dfs n HIS 220 Cb 0.44 -4.87 -0.05 0.00 1.12 0.00 0.00 29.99 26.63 3dfs n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dfs s ILE 221 N -3.33 4.41 -0.87 1.59 -1.09 0.28 -4.89 121.20 117.29 3dfs s ILE 221 Ca 0.50 2.04 -0.23 0.00 -2.23 0.00 0.00 60.65 60.72 3dfs s ILE 221 Cb -0.23 -4.31 0.06 0.00 -1.58 0.00 0.00 42.46 36.41 3dfs s ILE 221 CO 0.75 0.37 1.26 -0.47 -1.23 0.00 0.00 174.94 175.61 3dfs s TYR 222 N -0.32 2.61 0.34 3.97 5.04 -1.26 -4.82 117.35 122.91 3dfs s TYR 222 Ca 0.45 -0.69 0.07 0.00 -2.44 0.00 0.00 57.07 54.46 3dfs s TYR 222 Cb -0.24 -4.53 0.76 0.00 0.35 0.00 0.00 41.96 38.31 3dfs s TYR 222 CO 0.30 -1.84 1.85 -0.07 -1.34 0.00 0.00 175.55 174.45 3dfs h LEU 223 N 12.13 0.72 -2.52 6.97 3.38 -1.94 0.44 115.31 134.49 3dfs h LEU 223 Ca -0.02 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dfs h LEU 223 Cb 1.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3dfs h LEU 223 CO 1.28 0.35 -0.01 -0.33 0.09 0.00 0.00 178.44 179.83 3dfs h GLU 224 N 0.76 0.00 -0.84 1.13 3.07 -1.90 -1.52 114.58 115.28 3dfs h GLU 224 Ca 0.48 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.89 3dfs h GLU 224 Cb 0.71 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.36 3dfs h GLU 224 CO -0.24 0.01 0.47 0.41 -1.40 0.00 0.00 179.01 178.26 3dfs n GLY 225 N -0.82 4.69 3.19 -3.84 0.00 0.14 -4.37 105.19 104.18 3dfs n GLY 225 Ca -0.02 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.69 3dfs n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfs s THR 226 N -3.38 0.13 0.06 2.61 -4.23 -0.57 -4.03 115.64 106.23 3dfs s THR 226 Ca 0.54 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 3dfs s THR 226 Cb 0.46 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 72.01 3dfs s THR 226 CO 0.07 -0.25 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.06 3dfs s LEU 227 N -3.12 2.31 -0.12 4.79 1.43 -1.01 -3.60 118.68 119.35 3dfs s LEU 227 Ca 0.31 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3dfs s LEU 227 Cb 0.07 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.05 3dfs s LEU 227 CO 0.07 -0.22 -0.09 -0.22 0.23 0.00 0.00 176.35 176.11 3dfs s LEU 228 N -1.88 2.97 -0.60 1.79 2.96 -0.36 -0.76 118.68 122.81 3dfs s LEU 228 Ca -0.04 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3dfs s LEU 228 Cb -0.07 -1.67 0.15 0.00 0.50 0.00 0.00 46.19 45.09 3dfs s LEU 228 CO -0.00 0.22 0.36 -0.75 -1.32 0.00 0.00 176.35 174.86 3dfs s LYS 229 N 0.05 2.16 0.42 1.98 2.20 0.26 0.26 119.74 127.06 3dfs s LYS 229 Ca -0.03 -2.92 0.08 0.00 -0.36 0.00 0.00 55.97 52.74 3dfs s LYS 229 Cb -0.14 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3dfs s LYS 229 CO 0.04 -1.19 0.49 -1.25 -0.36 0.00 0.00 175.35 173.08 3dfs s PRO 230 N -0.78 2.70 0.45 4.03 0.04 -1.26 -3.67 135.00 136.52 3dfs s PRO 230 Ca 0.21 -1.37 -0.18 0.00 0.04 0.00 0.00 61.00 59.70 3dfs s PRO 230 Cb -0.16 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 3dfs s PRO 230 CO -0.07 -0.24 0.92 0.54 0.04 0.00 0.00 177.00 178.19 3dfs s ASN 231 N -4.26 6.77 0.74 6.66 4.22 -1.26 -2.70 114.94 125.11 3dfs s ASN 231 Ca 0.52 1.55 -0.11 0.00 -2.14 0.00 0.00 52.86 52.68 3dfs s ASN 231 Cb -0.07 -2.49 0.03 0.00 1.28 0.00 0.00 41.25 40.00 3dfs s ASN 231 CO 0.31 -0.43 1.08 -0.04 -2.04 0.00 0.00 177.10 175.98 3dfs s MET 232 N -3.53 2.60 -0.38 3.55 -1.94 -1.26 -4.97 119.30 113.38 3dfs s MET 232 Ca 0.59 0.79 -0.22 0.00 -1.71 0.00 0.00 55.69 55.15 3dfs s MET 232 Cb -0.10 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.79 3dfs s MET 232 CO 0.21 -1.29 0.71 0.08 -0.01 0.00 0.00 175.02 174.72 3dfs s VAL 233 N -3.11 4.80 0.12 -6.03 1.01 -1.26 -5.01 120.40 110.91 3dfs s VAL 233 Ca 0.59 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 3dfs s VAL 233 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3dfs s VAL 233 CO 0.54 -0.44 0.06 0.42 0.00 0.00 0.00 175.10 175.69 3dfs s THR 234 N 2.93 0.12 0.87 3.92 -4.23 -1.26 -4.52 115.64 113.47 3dfs s THR 234 Ca 0.27 -1.83 -0.12 0.00 -1.18 0.00 0.00 61.69 58.83 3dfs s THR 234 Cb -0.14 -1.93 0.11 0.00 1.34 0.00 0.00 72.50 71.89 3dfs s THR 234 CO 0.17 -0.54 1.10 -2.16 -0.54 0.00 0.00 174.62 172.65 3dfs s PRO 235 N -4.02 1.46 0.72 3.99 0.04 -1.26 -4.57 135.00 131.37 3dfs s PRO 235 Ca 0.20 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 61.75 3dfs s PRO 235 Cb 0.07 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.80 3dfs s PRO 235 CO -0.01 -2.06 1.19 0.20 0.04 0.00 0.00 177.00 176.36 3dfs s GLY 236 N -3.68 2.29 0.65 0.56 0.00 0.11 -4.87 107.32 102.38 3dfs s GLY 236 Ca 0.63 0.81 0.42 0.00 0.00 0.00 0.00 44.72 46.57 3dfs s GLY 236 CO 0.56 1.21 2.34 0.84 0.00 0.00 0.00 173.10 178.04 3dfs h HIS 237 N -0.28 0.00 -0.43 1.90 2.76 -0.33 -1.35 115.15 117.42 3dfs h HIS 237 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 3dfs h HIS 237 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 3dfs h HIS 237 CO 0.49 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.12 3dfs n ALA 238 N -2.12 2.39 -1.77 5.26 0.00 0.37 -5.00 120.51 119.64 3dfs n ALA 238 Ca -0.03 -1.36 -0.40 0.00 0.00 0.00 0.00 53.44 51.66 3dfs n ALA 238 Cb 0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 18.91 3dfs n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dfs h THR 240 N 2.85 1.34 -2.80 0.00 1.35 -1.90 -3.46 112.91 110.29 3dfs h THR 240 Ca -0.49 -1.97 -0.58 0.00 -0.55 0.00 0.00 66.41 62.83 3dfs h THR 240 Cb 1.23 2.52 0.09 0.00 -1.73 0.00 0.00 68.15 70.25 3dfs h THR 240 CO 0.65 0.45 0.54 1.67 -0.25 0.00 0.00 175.52 178.58 3dfs n GLN 241 N -4.67 1.99 -3.97 4.72 7.27 -1.26 -4.99 117.38 116.47 3dfs n GLN 241 Ca -0.08 0.70 -0.27 0.00 0.07 0.00 0.00 57.00 57.43 3dfs n GLN 241 Cb 0.36 -2.32 -0.04 0.00 2.41 0.00 0.00 30.24 30.65 3dfs n GLN 241 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3dfs s LYS 242 N -0.85 3.32 0.06 3.69 -0.14 -1.26 -5.00 119.74 119.56 3dfs s LYS 242 Ca 0.64 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 54.63 3dfs s LYS 242 Cb -0.64 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 3dfs s LYS 242 CO 0.54 0.52 -0.06 0.71 -0.76 0.00 0.00 175.35 176.30 3dfs s TYR 243 N -1.71 0.66 0.65 3.18 2.02 -1.26 -5.13 117.35 115.75 3dfs s TYR 243 Ca 0.34 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 3dfs s TYR 243 Cb -0.11 -0.41 0.05 0.00 -0.40 0.00 0.00 41.96 41.09 3dfs s TYR 243 CO 0.27 -0.17 0.92 -1.54 -1.57 0.00 0.00 175.55 173.47 3dfs s SER 244 N -2.28 4.99 0.32 2.29 1.04 -1.26 -4.95 113.70 113.84 3dfs s SER 244 Ca -0.01 0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.80 3dfs s SER 244 Cb -0.02 -1.01 0.55 0.00 0.10 0.00 0.00 66.02 65.63 3dfs s SER 244 CO -0.03 -1.43 1.74 0.45 0.98 0.00 0.00 173.24 174.94 3dfs h HIS 245 N -0.35 0.10 -0.17 5.02 3.86 -1.99 -2.35 115.15 119.27 3dfs h HIS 245 Ca -0.43 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 58.66 3dfs h HIS 245 Cb 1.31 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 3dfs h HIS 245 CO 0.35 0.51 -0.30 0.93 0.86 0.00 0.00 177.93 180.28 3dfs h GLU 246 N 0.07 0.34 -0.11 2.45 3.07 -1.93 0.17 114.58 118.64 3dfs h GLU 246 Ca 0.00 -0.13 -0.22 0.00 -0.50 0.00 0.00 59.36 58.51 3dfs h GLU 246 Cb 0.81 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3dfs h GLU 246 CO 0.06 0.61 -0.81 0.93 -1.40 0.00 0.00 179.01 178.39 3dfs h GLU 247 N 0.30 0.69 -0.30 2.33 5.08 -1.86 -0.63 114.58 120.19 3dfs h GLU 247 Ca 0.04 -0.60 -0.03 0.00 -1.00 0.00 0.00 59.36 57.77 3dfs h GLU 247 Cb 0.68 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3dfs h GLU 247 CO 0.05 1.21 0.05 0.82 -1.00 0.00 0.00 179.01 180.14 3dfs h ILE 248 N 0.46 1.23 -0.45 3.13 2.04 -1.20 -1.26 117.51 121.46 3dfs h ILE 248 Ca -0.06 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3dfs h ILE 248 Cb 1.44 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3dfs h ILE 248 CO 0.16 0.26 0.29 0.00 0.00 0.00 0.00 178.15 178.86 3dfs h ALA 249 N 0.88 0.57 -0.63 1.87 0.00 -0.93 -0.20 119.26 120.83 3dfs h ALA 249 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3dfs h ALA 249 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dfs h ALA 249 CO 0.00 0.04 0.25 1.98 0.00 0.00 0.00 179.25 181.52 3dfs h MET 250 N 0.61 0.94 -0.37 0.00 1.85 -0.97 0.37 114.93 117.36 3dfs h MET 250 Ca 0.16 -0.17 -0.11 0.00 -0.61 0.00 0.00 59.70 58.97 3dfs h MET 250 Cb -0.05 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.82 3dfs h MET 250 CO -0.03 0.80 -0.21 0.00 -0.40 0.00 0.00 176.91 177.06 3dfs h ALA 251 N 1.10 0.93 0.14 0.39 0.00 -1.01 -1.44 119.26 119.38 3dfs h ALA 251 Ca 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dfs h ALA 251 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dfs h ALA 251 CO -0.02 0.61 -0.07 1.15 0.00 0.00 0.00 179.25 180.93 3dfs h THR 252 N 0.64 1.02 -0.38 0.00 2.02 -0.74 -2.39 112.91 113.08 3dfs h THR 252 Ca 0.09 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3dfs h THR 252 Cb 0.70 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 3dfs h THR 252 CO 0.05 0.20 0.08 0.58 0.37 0.00 0.00 175.52 176.81 3dfs h VAL 253 N -0.64 1.18 -0.13 3.16 2.07 -0.94 -2.19 116.25 118.76 3dfs h VAL 253 Ca -0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3dfs h VAL 253 Cb 0.48 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3dfs h VAL 253 CO 0.03 0.23 -0.02 0.74 0.02 0.00 0.00 177.57 178.58 3dfs h THR 254 N 0.55 1.27 -0.52 2.57 2.02 -1.29 -0.31 112.91 117.21 3dfs h THR 254 Ca 0.13 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3dfs h THR 254 Cb 0.23 1.62 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3dfs h THR 254 CO -0.00 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.41 3dfs h ALA 255 N 0.72 0.67 -0.30 6.16 0.00 -1.21 -1.44 119.26 123.86 3dfs h ALA 255 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dfs h ALA 255 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dfs h ALA 255 CO 0.01 -0.09 0.12 -0.07 0.00 0.00 0.00 179.25 179.22 3dfs h LEU 256 N 0.50 0.41 -2.03 0.00 3.38 -1.32 -2.66 115.31 113.59 3dfs h LEU 256 Ca 0.23 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dfs h LEU 256 Cb 0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dfs h LEU 256 CO -0.17 0.45 -0.00 0.03 0.09 0.00 0.00 178.44 178.84 3dfs h ARG 257 N 0.33 0.00 -0.00 1.13 3.08 -0.65 0.17 114.38 118.44 3dfs h ARG 257 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3dfs h ARG 257 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3dfs h ARG 257 CO -0.01 0.00 -0.16 0.54 -1.07 0.00 0.00 179.97 179.27 3dfs n ARG 258 N -4.49 0.52 0.00 0.04 1.74 -0.58 -4.54 116.66 109.36 3dfs n ARG 258 Ca -0.03 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 3dfs n ARG 258 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3dfs n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dfs n THR 259 N -1.06 0.00 -3.07 0.55 -2.24 -0.78 -5.00 114.28 102.68 3dfs n THR 259 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 3dfs n THR 259 Cb 0.30 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 3dfs n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dfs s VAL 260 N -1.13 4.85 0.45 2.28 1.01 0.52 -4.78 120.40 123.60 3dfs s VAL 260 Ca 0.00 0.67 -0.25 0.00 0.00 0.00 0.00 61.98 62.40 3dfs s VAL 260 Cb 0.00 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3dfs s VAL 260 CO 0.00 -0.34 1.44 -2.84 0.00 0.00 0.00 175.10 173.36 3dfs s PRO 261 N 2.80 3.70 0.58 2.72 0.02 -1.26 -4.82 135.00 138.73 3dfs s PRO 261 Ca 0.26 2.45 0.28 0.00 0.02 0.00 0.00 61.00 64.01 3dfs s PRO 261 Cb -0.14 -2.67 1.53 0.00 0.02 0.00 0.00 34.50 33.23 3dfs s PRO 261 CO 0.15 -0.82 1.98 -1.35 -0.33 0.00 0.00 177.00 176.63 3dfs h PRO 262 N 2.35 0.00 0.00 5.54 0.11 -1.96 -1.51 132.00 136.53 3dfs h PRO 262 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3dfs h PRO 262 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dfs h PRO 262 CO 0.61 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.32 3dfs h ALA 263 N 1.61 1.50 -2.51 -0.75 0.00 -1.90 -3.42 119.26 113.78 3dfs h ALA 263 Ca 0.18 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 54.49 3dfs h ALA 263 Cb 0.92 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.73 3dfs h ALA 263 CO -0.00 0.10 1.09 0.08 0.00 0.00 0.00 179.25 180.51 3dfs s VAL 264 N -4.49 2.58 0.17 0.00 1.01 -0.57 -3.25 120.40 115.85 3dfs s VAL 264 Ca -0.04 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3dfs s VAL 264 Cb 0.15 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.52 3dfs s VAL 264 CO 0.60 0.00 1.70 0.74 0.00 0.00 0.00 175.10 178.14 3dfs h THR 265 N 4.64 1.25 -2.53 3.92 2.02 -1.66 -3.44 112.91 117.11 3dfs h THR 265 Ca -0.45 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 65.91 3dfs h THR 265 Cb 1.21 0.65 -0.15 0.00 -1.74 0.00 0.00 68.15 68.13 3dfs h THR 265 CO 0.95 0.32 0.33 -0.83 0.37 0.00 0.00 175.52 176.66 3dfs s GLY 266 N -3.27 -0.54 -0.20 2.16 0.00 -1.26 -3.30 107.32 100.90 3dfs s GLY 266 Ca -0.13 0.88 -0.02 0.00 0.00 0.00 0.00 44.72 45.45 3dfs s GLY 266 CO 0.81 0.37 -0.11 0.14 0.00 0.00 0.00 173.10 174.31 3dfs s VAL 267 N -3.06 2.76 -0.45 1.40 1.01 0.08 -1.22 120.40 120.91 3dfs s VAL 267 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3dfs s VAL 267 Cb -0.01 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.26 3dfs s VAL 267 CO -0.08 0.46 0.23 0.42 0.00 0.00 0.00 175.10 176.14 3dfs s THR 268 N 1.39 3.12 0.36 3.92 -4.23 0.14 -1.26 115.64 119.08 3dfs s THR 268 Ca 0.05 -2.44 -0.28 0.00 -1.18 0.00 0.00 61.69 57.84 3dfs s THR 268 Cb -0.14 -3.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 3dfs s THR 268 CO -0.08 -0.73 1.39 -0.36 -0.54 0.00 0.00 174.62 174.31 3dfs s PHE 269 N 0.69 2.80 0.25 3.99 0.08 -0.63 -4.11 117.98 121.05 3dfs s PHE 269 Ca 0.12 1.30 -0.13 0.00 0.12 0.00 0.00 56.93 58.34 3dfs s PHE 269 Cb -0.22 -3.85 -0.08 0.00 -0.57 0.00 0.00 43.02 38.31 3dfs s PHE 269 CO -0.04 -2.43 0.63 -0.48 -0.10 0.00 0.00 175.22 172.80 3dfs s LEU 270 N -2.01 4.16 0.41 -0.37 0.05 -1.10 -1.39 118.68 118.44 3dfs s LEU 270 Ca 0.52 1.10 0.22 0.00 0.05 0.00 0.00 54.13 56.02 3dfs s LEU 270 Cb -0.43 -3.78 0.49 0.00 -2.05 0.00 0.00 46.19 40.43 3dfs s LEU 270 CO 0.57 -0.10 1.65 0.77 -0.55 0.00 0.00 176.35 178.70 3dfs h SER 271 N 2.61 0.00 -4.45 1.48 4.64 -1.92 -3.41 113.55 112.49 3dfs h SER 271 Ca -0.47 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.62 3dfs h SER 271 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3dfs h SER 271 CO 0.67 0.17 -0.30 0.61 -0.87 0.00 0.00 176.83 177.11 3dfs n GLY 272 N 0.84 -0.50 0.19 -0.77 0.00 -1.26 -1.54 105.19 102.15 3dfs n GLY 272 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dfs n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfs n GLY 273 N -0.82 0.33 3.76 -0.02 0.00 -1.26 -4.84 105.19 102.34 3dfs n GLY 273 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3dfs n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dfs s GLN 274 N -0.94 2.48 0.91 1.61 -0.21 -0.59 -0.81 119.66 122.12 3dfs s GLN 274 Ca 0.00 1.39 -0.12 0.00 0.02 0.00 0.00 55.36 56.65 3dfs s GLN 274 Cb 0.00 -1.91 0.14 0.00 1.00 0.00 0.00 33.01 32.24 3dfs s GLN 274 CO 0.00 -1.50 1.09 -1.54 -2.12 0.00 0.00 175.29 171.23 3dfs s SER 275 N -2.71 3.38 0.19 5.90 1.04 -1.26 -4.21 113.70 116.03 3dfs s SER 275 Ca 0.66 1.40 -0.12 0.00 0.48 0.00 0.00 55.95 58.37 3dfs s SER 275 Cb -0.21 -2.07 0.15 0.00 0.10 0.00 0.00 66.02 63.98 3dfs s SER 275 CO 0.46 -2.68 1.81 -0.33 0.98 0.00 0.00 173.24 173.48 3dfs h GLU 276 N -1.58 0.60 -0.01 4.02 5.08 -1.72 -0.84 114.58 120.13 3dfs h GLU 276 Ca -0.50 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3dfs h GLU 276 Cb 1.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dfs h GLU 276 CO 0.56 0.39 0.00 0.93 -1.00 0.00 0.00 179.01 179.89 3dfs h GLU 277 N 0.61 0.01 -0.50 2.33 4.39 -1.47 -2.39 114.58 117.56 3dfs h GLU 277 Ca 0.24 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.98 3dfs h GLU 277 Cb 0.09 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.69 3dfs h GLU 277 CO -0.13 0.29 0.24 1.49 -1.16 0.00 0.00 179.01 179.74 3dfs h GLU 278 N -0.27 0.46 -0.90 2.33 4.81 -1.76 0.27 114.58 119.52 3dfs h GLU 278 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dfs h GLU 278 Cb 0.28 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 3dfs h GLU 278 CO 0.00 0.30 0.56 0.00 -0.73 0.00 0.00 179.01 179.14 3dfs h ALA 279 N 1.28 1.14 -0.14 2.92 0.00 -1.15 0.95 119.26 124.27 3dfs h ALA 279 Ca 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dfs h ALA 279 Cb 0.15 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dfs h ALA 279 CO -0.17 0.58 -0.08 0.77 0.00 0.00 0.00 179.25 180.34 3dfs h SER 280 N 1.23 0.32 -0.73 0.00 0.02 -0.81 -2.06 113.55 111.51 3dfs h SER 280 Ca 0.32 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3dfs h SER 280 Cb -0.09 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3dfs h SER 280 CO -0.06 0.68 0.48 0.40 -1.14 0.00 0.00 176.83 177.18 3dfs h ILE 281 N -0.05 1.19 -0.46 3.27 2.04 -0.19 -1.04 117.51 122.26 3dfs h ILE 281 Ca 0.03 -0.35 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3dfs h ILE 281 Cb 0.57 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3dfs h ILE 281 CO 0.02 0.18 -0.16 0.78 0.00 0.00 0.00 178.15 178.98 3dfs h ASN 282 N 0.99 0.94 -0.32 1.72 2.35 -0.82 -1.12 115.58 119.32 3dfs h ASN 282 Ca 0.27 -0.38 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3dfs h ASN 282 Cb -0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.99 3dfs h ASN 282 CO -0.06 1.11 0.11 0.25 -1.65 0.00 0.00 177.43 177.19 3dfs h LEU 283 N 0.77 0.52 -0.16 1.61 5.85 -1.06 0.07 115.31 122.90 3dfs h LEU 283 Ca 0.11 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3dfs h LEU 283 Cb 0.72 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 3dfs h LEU 283 CO 0.05 0.51 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.44 3dfs h ASN 284 N 0.56 0.37 -0.54 1.25 -0.73 -0.89 -2.42 115.58 113.18 3dfs h ASN 284 Ca 0.13 -0.43 -0.01 0.00 1.87 0.00 0.00 56.30 57.87 3dfs h ASN 284 Cb 0.19 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 38.65 3dfs h ASN 284 CO -0.01 0.73 0.32 0.00 -0.37 0.00 0.00 177.43 178.10 3dfs h ALA 285 N 0.66 1.52 -0.31 1.57 0.00 -0.75 -1.91 119.26 120.04 3dfs h ALA 285 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dfs h ALA 285 Cb 0.59 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3dfs h ALA 285 CO 0.03 0.41 0.13 0.82 0.00 0.00 0.00 179.25 180.64 3dfs h ILE 286 N 0.77 1.17 0.00 0.00 2.04 -0.85 -1.45 117.51 119.18 3dfs h ILE 286 Ca 0.20 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dfs h ILE 286 Cb -0.01 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3dfs h ILE 286 CO -0.04 0.18 0.00 0.78 0.00 0.00 0.00 178.15 179.07 3dfs h ASN 287 N 0.35 0.00 0.11 1.72 2.35 -0.97 -2.37 115.58 116.77 3dfs h ASN 287 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3dfs h ASN 287 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3dfs h ASN 287 CO -0.01 0.00 -0.37 0.29 -1.65 0.00 0.00 177.43 175.69 3dfs n LYS 288 N -2.83 1.02 -1.69 0.81 5.02 -0.76 -4.79 118.16 114.92 3dfs n LYS 288 Ca 0.01 -0.74 -0.44 0.00 -2.02 0.00 0.00 58.31 55.12 3dfs n LYS 288 Cb 0.28 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3dfs n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dfs n PRO 290 N 4.18 1.26 -4.13 0.00 -0.04 -1.26 -4.80 135.00 130.20 3dfs n PRO 290 Ca 0.17 -0.54 -0.16 0.00 -0.04 0.00 0.00 63.50 62.93 3dfs n PRO 290 Cb 0.33 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 3dfs n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dfs s LEU 291 N 0.00 2.26 0.11 1.53 1.43 -1.26 -5.11 118.68 117.63 3dfs s LEU 291 Ca 0.36 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.58 3dfs s LEU 291 Cb 0.17 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.95 3dfs s LEU 291 CO 0.00 -0.12 1.57 -0.22 0.23 0.00 0.00 176.35 177.81 3dfs s LEU 292 N -1.60 4.36 -0.37 1.79 2.96 -1.26 -4.97 118.68 119.60 3dfs s LEU 292 Ca -0.05 2.49 0.02 0.00 -0.22 0.00 0.00 54.13 56.36 3dfs s LEU 292 Cb -0.10 -3.58 0.11 0.00 0.50 0.00 0.00 46.19 43.13 3dfs s LEU 292 CO 0.01 -0.82 0.13 -0.54 -1.32 0.00 0.00 176.35 173.81 3dfs s LYS 293 N 1.85 1.16 0.00 1.98 1.02 -1.26 -4.96 119.74 119.52 3dfs s LYS 293 Ca 0.71 -1.64 0.02 0.00 0.02 0.00 0.00 55.97 55.08 3dfs s LYS 293 Cb -0.40 -2.50 0.13 0.00 -0.52 0.00 0.00 37.83 34.54 3dfs s LYS 293 CO 0.31 -1.03 0.76 -0.35 -0.92 0.00 0.00 175.35 174.12 3dfs n PRO 294 N 4.23 0.65 -4.01 -1.68 -0.04 -1.26 -4.78 135.00 128.11 3dfs n PRO 294 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.40 3dfs n PRO 294 Cb 0.39 -1.05 -0.11 0.00 -0.04 0.00 0.00 33.50 32.69 3dfs n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dfs s TRP 295 N -2.00 0.34 0.35 0.54 0.51 -1.26 -4.90 118.94 112.52 3dfs s TRP 295 Ca 0.03 -0.66 -0.29 0.00 -2.12 0.00 0.00 56.10 53.06 3dfs s TRP 295 Cb 0.02 -0.25 -0.11 0.00 -0.81 0.00 0.00 33.47 32.32 3dfs s TRP 295 CO 0.03 -0.23 1.52 0.00 -0.51 0.00 0.00 176.95 177.76 3dfs s ALA 296 N -2.07 3.63 -0.34 0.98 0.00 -1.21 -4.83 121.76 117.91 3dfs s ALA 296 Ca -0.10 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.48 3dfs s ALA 296 Cb -0.05 -3.63 0.10 0.00 0.00 0.00 0.00 23.12 19.54 3dfs s ALA 296 CO -0.03 -1.05 0.06 -0.51 0.00 0.00 0.00 175.76 174.23 3dfs s LEU 297 N -1.64 4.45 0.00 0.00 1.43 -1.26 -0.74 118.68 120.91 3dfs s LEU 297 Ca 0.56 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 3dfs s LEU 297 Cb -0.47 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3dfs s LEU 297 CO 0.59 -0.38 0.00 1.07 0.23 0.00 0.00 176.35 177.86 3dfs n THR 298 N 4.30 0.00 -4.44 5.49 5.66 -0.39 -4.66 114.28 120.24 3dfs n THR 298 Ca 0.03 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.78 3dfs n THR 298 Cb 0.42 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.09 3dfs n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dfs s PHE 299 N 0.48 2.25 -0.42 1.09 -0.71 -1.26 -1.61 117.98 117.79 3dfs s PHE 299 Ca 0.00 -0.36 0.07 0.00 -1.04 0.00 0.00 56.93 55.60 3dfs s PHE 299 Cb 0.00 -1.04 0.24 0.00 -1.21 0.00 0.00 43.02 41.01 3dfs s PHE 299 CO 0.00 0.60 0.62 0.45 -1.34 0.00 0.00 175.22 175.55 3dfs n SER 300 N -0.21 -0.81 -4.82 1.98 2.88 -0.49 0.32 113.62 112.47 3dfs n SER 300 Ca -0.09 -2.86 -0.38 0.00 -1.33 0.00 0.00 58.87 54.21 3dfs n SER 300 Cb 0.58 0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 3dfs n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dfs s TYR 301 N -0.55 3.70 0.00 0.66 2.02 -0.95 -4.31 117.35 117.92 3dfs s TYR 301 Ca 0.34 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.99 3dfs s TYR 301 Cb 0.18 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3dfs s TYR 301 CO -0.15 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.83 3dfs n GLY 302 N 2.00 -0.20 0.21 0.71 0.00 -1.26 -0.89 105.19 105.76 3dfs n GLY 302 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3dfs n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfs h ARG 303 N 0.00 0.66 0.00 1.61 3.08 -1.95 -2.64 114.38 115.14 3dfs h ARG 303 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dfs h ARG 303 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3dfs h ARG 303 CO 0.00 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.37 3dfs n ALA 304 N -2.25 1.40 0.21 0.04 0.00 -1.26 -1.77 120.51 116.88 3dfs n ALA 304 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.47 3dfs n ALA 304 Cb 0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 3dfs n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dfs n LEU 305 N -1.38 0.22 -0.04 0.00 4.77 -1.02 -4.59 117.00 114.95 3dfs n LEU 305 Ca 0.02 -0.28 0.03 0.00 -0.03 0.00 0.00 56.01 55.76 3dfs n LEU 305 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3dfs n LEU 305 CO 0.05 0.05 0.04 0.00 -1.33 0.00 0.00 177.39 176.21 3dfs n GLN 306 N -1.45 4.09 0.02 3.23 6.02 -0.74 -4.67 117.38 123.87 3dfs n GLN 306 Ca 0.00 -0.13 -0.06 0.00 -0.01 0.00 0.00 57.00 56.80 3dfs n GLN 306 Cb 0.17 -0.87 -0.04 0.00 1.02 0.00 0.00 30.24 30.52 3dfs n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dfs h ALA 307 N 1.05 -0.66 -0.42 -1.58 0.00 -1.63 -0.58 119.26 115.43 3dfs h ALA 307 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dfs h ALA 307 Cb 0.18 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3dfs h ALA 307 CO 0.00 -0.72 0.21 0.77 0.00 0.00 0.00 179.25 179.51 3dfs h SER 308 N -0.25 0.52 0.65 0.00 0.02 -1.87 -2.82 113.55 109.79 3dfs h SER 308 Ca 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3dfs h SER 308 Cb 0.27 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.68 3dfs h SER 308 CO -0.14 0.44 -0.31 0.00 -1.14 0.00 0.00 176.83 175.68 3dfs h ALA 309 N 1.65 -0.87 -0.77 3.77 0.00 -1.72 -0.86 119.26 120.47 3dfs h ALA 309 Ca 0.15 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3dfs h ALA 309 Cb 0.05 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 3dfs h ALA 309 CO -0.02 -0.95 0.29 -0.07 0.00 0.00 0.00 179.25 178.49 3dfs h LEU 310 N -0.95 0.24 -0.60 0.00 3.38 -0.99 -0.01 115.31 116.38 3dfs h LEU 310 Ca -0.09 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3dfs h LEU 310 Cb 0.69 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3dfs h LEU 310 CO 0.15 0.07 0.03 0.50 0.09 0.00 0.00 178.44 179.28 3dfs h LYS 311 N 0.41 1.04 0.00 1.13 3.64 -1.39 -1.69 116.57 119.71 3dfs h LYS 311 Ca 0.43 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3dfs h LYS 311 Cb 0.68 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3dfs h LYS 311 CO -0.43 1.01 -0.39 0.00 -2.27 0.00 0.00 179.45 177.36 3dfs h ALA 312 N 0.99 1.17 0.11 5.00 0.00 -0.01 -3.26 119.26 123.27 3dfs h ALA 312 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3dfs h ALA 312 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3dfs h ALA 312 CO 0.02 0.49 -0.06 2.35 0.00 0.00 0.00 179.25 182.06 3dfs h TRP 313 N 0.00 -0.14 -1.48 0.00 7.01 -0.79 -3.39 115.95 117.16 3dfs h TRP 313 Ca -0.00 -0.00 -0.41 0.00 2.11 0.00 0.00 58.89 60.58 3dfs h TRP 313 Cb 0.78 0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.76 3dfs h TRP 313 CO 0.00 0.26 -0.41 0.41 -2.79 0.00 0.00 178.44 175.92 3dfs n GLY 314 N 1.07 1.40 3.33 2.65 0.00 -0.66 -1.74 105.19 111.24 3dfs n GLY 314 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3dfs n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfs n GLY 315 N -0.51 1.23 3.63 -0.02 0.00 -1.26 -4.83 105.19 103.43 3dfs n GLY 315 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3dfs n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfs s LYS 316 N -0.17 4.11 0.44 1.61 -0.14 -0.71 -4.95 119.74 119.93 3dfs s LYS 316 Ca 0.00 0.46 0.13 0.00 -1.36 0.00 0.00 55.97 55.20 3dfs s LYS 316 Cb 0.00 -3.64 1.03 0.00 -1.68 0.00 0.00 37.83 33.54 3dfs s LYS 316 CO 0.00 -0.35 2.00 0.87 -0.76 0.00 0.00 175.35 177.11 3dfs h LYS 317 N 7.86 0.38 0.00 1.68 1.57 -1.94 -1.06 116.57 125.07 3dfs h LYS 317 Ca -0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3dfs h LYS 317 Cb 1.13 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3dfs h LYS 317 CO 0.75 0.25 0.00 1.05 -0.57 0.00 0.00 179.45 180.93 3dfs h GLU 318 N 0.39 0.00 -0.64 3.15 9.09 -1.93 -2.37 114.58 122.28 3dfs h GLU 318 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.65 3dfs h GLU 318 Cb 0.43 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 3dfs h GLU 318 CO -0.06 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.09 3dfs n ASN 319 N -2.33 4.15 0.04 3.06 3.02 -0.40 -4.60 115.26 118.19 3dfs n ASN 319 Ca 0.01 -2.41 -0.12 0.00 -0.03 0.00 0.00 54.58 52.02 3dfs n ASN 319 Cb 0.17 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.72 3dfs n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dfs h LEU 320 N 3.41 -1.31 -0.62 3.41 5.85 -1.56 -0.67 115.31 123.83 3dfs h LEU 320 Ca 0.00 0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.97 3dfs h LEU 320 Cb 1.31 0.50 -0.08 0.00 0.37 0.00 0.00 40.66 42.76 3dfs h LEU 320 CO 0.22 -0.41 0.22 0.11 -0.34 0.00 0.00 178.44 178.25 3dfs h LYS 321 N -0.52 0.38 -0.27 1.25 6.56 -1.86 -0.56 116.57 121.55 3dfs h LYS 321 Ca 0.01 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.60 3dfs h LYS 321 Cb 0.56 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 3dfs h LYS 321 CO -0.29 0.25 0.10 0.00 -2.06 0.00 0.00 179.45 177.46 3dfs h ALA 322 N 1.44 0.31 0.18 3.86 0.00 -1.80 -1.23 119.26 122.02 3dfs h ALA 322 Ca 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3dfs h ALA 322 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dfs h ALA 322 CO -0.33 -0.30 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 3dfs h ALA 323 N 1.16 -0.24 -1.00 0.00 0.00 -0.45 -2.83 119.26 115.89 3dfs h ALA 323 Ca 0.12 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3dfs h ALA 323 Cb 0.07 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3dfs h ALA 323 CO -0.11 -0.60 0.63 1.96 0.00 0.00 0.00 179.25 181.14 3dfs h GLN 324 N -0.32 1.03 -0.71 0.00 4.20 -0.98 -1.26 115.11 117.08 3dfs h GLN 324 Ca -0.02 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3dfs h GLN 324 Cb 0.25 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3dfs h GLN 324 CO 0.04 0.68 0.47 1.49 -0.67 0.00 0.00 178.83 180.85 3dfs h GLU 325 N 1.06 0.87 -0.46 1.46 4.57 -1.03 -0.12 114.58 120.94 3dfs h GLU 325 Ca 0.47 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.48 3dfs h GLU 325 Cb 0.36 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3dfs h GLU 325 CO -0.23 0.58 -0.18 0.93 -1.18 0.00 0.00 179.01 178.93 3dfs h GLU 326 N 0.90 0.93 -0.04 1.92 4.39 -1.01 -2.02 114.58 119.65 3dfs h GLU 326 Ca 0.28 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3dfs h GLU 326 Cb 0.00 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3dfs h GLU 326 CO -0.07 1.04 0.01 -0.92 -1.16 0.00 0.00 179.01 177.92 3dfs h TYR 327 N 0.77 0.06 -0.97 4.33 3.20 -1.01 -2.58 116.97 120.76 3dfs h TYR 327 Ca 0.11 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.10 3dfs h TYR 327 Cb 0.74 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.91 3dfs h TYR 327 CO 0.05 0.20 0.62 0.28 -1.64 0.00 0.00 178.16 177.67 3dfs h VAL 328 N -0.11 0.90 -0.80 1.81 2.07 -0.99 -0.51 116.25 118.62 3dfs h VAL 328 Ca 0.01 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3dfs h VAL 328 Cb 0.17 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 3dfs h VAL 328 CO -0.00 0.17 0.45 0.11 0.02 0.00 0.00 177.57 178.32 3dfs h LYS 329 N 0.92 1.11 -0.00 1.57 1.57 -1.05 -1.08 116.57 119.61 3dfs h LYS 329 Ca 0.49 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.98 3dfs h LYS 329 Cb 0.55 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3dfs h LYS 329 CO -0.25 0.81 -0.77 0.00 -0.57 0.00 0.00 179.45 178.67 3dfs h ARG 330 N 1.11 0.01 -0.42 3.15 2.47 -0.84 -2.35 114.38 117.50 3dfs h ARG 330 Ca 0.28 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.86 3dfs h ARG 330 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3dfs h ARG 330 CO -0.05 0.77 -0.29 0.00 0.56 0.00 0.00 179.97 180.97 3dfs h ALA 331 N 1.23 0.69 -0.39 0.04 0.00 -0.78 -1.40 119.26 118.66 3dfs h ALA 331 Ca -0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 3dfs h ALA 331 Cb 1.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3dfs h ALA 331 CO 0.10 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.73 3dfs h LEU 332 N 0.77 0.86 -0.19 0.00 3.38 -1.18 -0.90 115.31 118.05 3dfs h LEU 332 Ca 0.09 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3dfs h LEU 332 Cb 0.86 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3dfs h LEU 332 CO 0.08 1.09 0.10 0.00 0.09 0.00 0.00 178.44 179.80 3dfs h ALA 333 N 0.80 0.24 0.00 1.53 0.00 -1.32 -1.87 119.26 118.64 3dfs h ALA 333 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3dfs h ALA 333 Cb 0.78 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3dfs h ALA 333 CO 0.06 -0.23 -0.46 -0.91 0.00 0.00 0.00 179.25 177.72 3dfs h ASN 334 N 0.20 0.00 -0.63 0.00 2.35 -1.23 0.66 115.58 116.92 3dfs h ASN 334 Ca 0.07 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3dfs h ASN 334 Cb 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3dfs h ASN 334 CO -0.01 0.46 0.14 -1.28 -1.65 0.00 0.00 177.43 175.09 3dfs h SER 335 N 0.00 0.99 0.08 5.81 0.87 -0.88 0.13 113.55 120.55 3dfs h SER 335 Ca -0.00 -0.21 -0.19 0.00 -1.23 0.00 0.00 61.79 60.15 3dfs h SER 335 Cb 0.82 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3dfs h SER 335 CO 0.06 0.97 -0.69 -0.07 -0.53 0.00 0.00 176.83 176.56 3dfs h LEU 336 N 0.99 0.65 -0.47 2.23 3.38 -0.86 -3.25 115.31 117.98 3dfs h LEU 336 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3dfs h LEU 336 Cb 0.38 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3dfs h LEU 336 CO 0.00 1.16 0.19 0.00 0.09 0.00 0.00 178.44 179.89 3dfs h ALA 337 N 0.84 0.61 0.00 1.53 0.00 -0.37 0.21 119.26 122.07 3dfs h ALA 337 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dfs h ALA 337 Cb 1.28 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dfs h ALA 337 CO 0.13 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3dfs n GLN 339 N -0.70 2.00 -1.97 0.00 6.02 -0.70 -4.63 117.38 117.40 3dfs n GLN 339 Ca 0.05 -0.26 -0.09 0.00 -0.01 0.00 0.00 57.00 56.69 3dfs n GLN 339 Cb 0.02 -0.74 -0.01 0.00 1.02 0.00 0.00 30.24 30.53 3dfs n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dfs n GLY 340 N 0.36 0.24 0.35 1.08 0.00 0.22 -4.93 105.19 102.52 3dfs n GLY 340 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3dfs n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfs n LYS 341 N -2.04 1.47 -3.63 1.61 5.02 0.63 -4.90 118.16 116.32 3dfs n LYS 341 Ca -0.10 -2.93 -0.36 0.00 -2.02 0.00 0.00 58.31 52.90 3dfs n LYS 341 Cb 0.52 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3dfs n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dfs s TYR 342 N -3.05 3.44 -0.29 2.13 5.04 -1.22 -4.79 117.35 118.62 3dfs s TYR 342 Ca 0.35 0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 55.42 3dfs s TYR 342 Cb 0.33 -2.25 0.10 0.00 0.35 0.00 0.00 41.96 40.48 3dfs s TYR 342 CO -0.01 0.27 0.12 0.99 -1.34 0.00 0.00 175.55 175.58 3dfs s THR 343 N 0.39 0.07 0.10 4.34 2.01 -1.26 -4.97 115.64 116.32 3dfs s THR 343 Ca 0.13 -0.82 -0.36 0.00 0.31 0.00 0.00 61.69 60.94 3dfs s THR 343 Cb -0.12 -1.06 -0.17 0.00 0.01 0.00 0.00 72.50 71.16 3dfs s THR 343 CO 0.01 -0.70 1.31 -0.81 -0.69 0.00 0.00 174.62 173.75 3dfs n PRO 344 N 5.19 1.14 0.00 4.92 -0.04 -1.26 -4.86 135.00 140.10 3dfs n PRO 344 Ca -0.06 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3dfs n PRO 344 Cb 0.42 -2.03 0.42 0.00 -0.04 0.00 0.00 33.50 32.27 3dfs n PRO 344 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3dfs n SER 345 N 2.44 1.16 0.00 3.54 2.88 -1.26 -4.95 113.62 117.43 3dfs n SER 345 Ca 0.18 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 3dfs n SER 345 Cb 0.20 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 3dfs n SER 345 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dfs n GLY 346 N 1.29 0.75 0.92 0.46 0.00 -1.26 -4.94 105.19 102.41 3dfs n GLY 346 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dfs n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfs n GLN 347 N -2.17 1.76 -0.25 1.61 10.64 -1.26 -4.74 117.38 122.97 3dfs n GLN 347 Ca 0.00 -3.28 -0.07 0.00 -1.83 0.00 0.00 57.00 51.82 3dfs n GLN 347 Cb 0.00 -1.74 0.04 0.00 -0.86 0.00 0.00 30.24 27.69 3dfs n GLN 347 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3dfs h ALA 348 N 1.03 0.89 0.00 2.61 0.00 -2.00 -3.49 119.26 118.31 3dfs h ALA 348 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dfs h ALA 348 Cb 1.34 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3dfs h ALA 348 CO 0.22 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.40 3dfs n GLY 349 N -0.84 2.76 0.25 0.00 0.00 -1.26 -4.50 105.19 101.61 3dfs n GLY 349 Ca 0.05 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.22 3dfs n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfs h ALA 350 N 0.00 1.59 -0.18 4.61 0.00 -1.99 -2.49 119.26 120.80 3dfs h ALA 350 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 3dfs h ALA 350 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dfs h ALA 350 CO 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 179.25 179.25 3dfs h ALA 351 N 1.70 1.16 0.00 0.00 0.00 -1.97 -2.59 119.26 117.57 3dfs h ALA 351 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dfs h ALA 351 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dfs h ALA 351 CO 0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3dfs n ALA 352 N -2.48 2.15 0.32 0.00 0.00 -0.94 -3.14 120.51 116.42 3dfs n ALA 352 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.40 3dfs n ALA 352 Cb 0.42 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 3dfs n ALA 352 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dfs n SER 353 N -1.40 1.19 -4.75 0.00 2.88 -1.00 -1.13 113.62 109.40 3dfs n SER 353 Ca 0.08 -0.41 -0.41 0.00 -1.33 0.00 0.00 58.87 56.81 3dfs n SER 353 Cb 0.24 1.33 -0.03 0.00 -0.75 0.00 0.00 64.21 65.00 3dfs n SER 353 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3dfs s GLU 354 N -2.66 4.52 0.18 -1.46 2.02 -1.08 -4.83 118.70 115.38 3dfs s GLU 354 Ca -0.00 1.93 -0.31 0.00 0.02 0.00 0.00 54.97 56.61 3dfs s GLU 354 Cb 0.10 -3.18 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 3dfs s GLU 354 CO 0.59 0.02 1.51 0.45 0.02 0.00 0.00 175.26 177.84 3dfs s SER 355 N -0.46 6.64 -0.19 -0.19 0.15 -1.26 -4.26 113.70 114.14 3dfs s SER 355 Ca 0.48 2.58 0.16 0.00 0.70 0.00 0.00 55.95 59.87 3dfs s SER 355 Cb -0.34 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.10 3dfs s SER 355 CO 0.42 -0.77 1.65 0.18 1.20 0.00 0.00 173.24 175.93 3dfs n LEU 356 N 3.56 5.11 -4.75 3.45 4.77 0.01 -4.95 117.00 124.21 3dfs n LEU 356 Ca 0.12 -2.79 -0.41 0.00 -0.03 0.00 0.00 56.01 52.90 3dfs n LEU 356 Cb 0.40 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3dfs n LEU 356 CO 0.61 0.69 0.85 0.12 -1.33 0.00 0.00 177.39 178.33 3dfs s PHE 357 N -2.48 3.45 -0.12 -1.77 2.19 -0.30 -4.41 117.98 114.54 3dfs s PHE 357 Ca 0.51 1.57 -0.01 0.00 0.33 0.00 0.00 56.93 59.33 3dfs s PHE 357 Cb 0.37 -3.39 0.03 0.00 -1.31 0.00 0.00 43.02 38.72 3dfs s PHE 357 CO 0.17 -0.96 -0.07 0.42 1.83 0.00 0.00 175.22 176.62 3dfs s ILE 358 N -0.78 1.00 0.33 3.12 1.01 -1.26 -5.07 121.20 119.55 3dfs s ILE 358 Ca 0.48 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3dfs s ILE 358 Cb -0.33 -1.05 -0.12 0.00 0.01 0.00 0.00 42.46 40.96 3dfs s ILE 358 CO 0.41 0.33 1.30 -1.20 0.00 0.00 0.00 174.94 175.78 3dfs n SER 359 N 4.95 2.78 -0.41 3.58 7.64 -1.26 -5.05 113.62 125.84 3dfs n SER 359 Ca -0.12 1.20 0.05 0.00 1.01 0.00 0.00 58.87 61.01 3dfs n SER 359 Cb 0.50 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 62.26 3dfs n SER 359 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83