#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 2.61 -0.03 0.54 3.76 -1.26 -5.12 115.29 115.79 3dfs s HIS 2 Ca 0.00 -0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 54.40 3dfs s HIS 2 Cb 0.00 -1.62 -0.05 0.00 1.11 0.00 0.00 32.58 32.01 3dfs s HIS 2 CO 0.00 0.04 0.47 0.45 -0.85 0.00 0.00 174.74 174.85 3dfs s SER 3 N -0.51 6.82 -0.44 1.40 0.15 -1.26 -5.01 113.70 114.84 3dfs s SER 3 Ca 0.07 0.97 0.07 0.00 0.70 0.00 0.00 55.95 57.75 3dfs s SER 3 Cb -0.11 -2.29 0.23 0.00 -1.71 0.00 0.00 66.02 62.13 3dfs s SER 3 CO 0.01 0.19 0.50 1.41 1.20 0.00 0.00 173.24 176.56 3dfs n HIS 4 N 2.49 0.20 -0.19 3.44 8.25 -1.26 -5.10 115.22 123.06 3dfs n HIS 4 Ca -0.11 -3.61 -0.08 0.00 -0.26 0.00 0.00 57.72 53.66 3dfs n HIS 4 Cb 0.52 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 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 1.72 0.00 0.11 -0.41 -0.02 -1.26 -4.84 135.00 130.30 3dfs n PRO 5 Ca 0.24 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 3dfs n PRO 5 Cb 0.49 -0.19 0.05 0.00 -0.02 0.00 0.00 33.50 33.83 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 0.87 0.68 -3.38 3.55 0.00 -1.99 -3.45 119.26 115.54 3dfs h ALA 6 Ca -0.03 -0.69 -0.37 0.00 0.00 0.00 0.00 54.91 53.82 3dfs h ALA 6 Cb 0.17 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.62 3dfs h ALA 6 CO 0.13 0.94 -0.77 -0.51 0.00 0.00 0.00 179.25 179.04 3dfs s LEU 7 N -7.08 2.26 0.56 0.00 1.43 -1.26 -4.96 118.68 109.62 3dfs s LEU 7 Ca 0.00 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3dfs s LEU 7 Cb 0.11 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.93 3dfs s LEU 7 CO 0.78 -0.10 0.83 0.42 0.23 0.00 0.00 176.35 178.51 3dfs s THR 8 N -1.24 3.41 0.29 5.49 -4.23 -1.26 -4.90 115.64 113.20 3dfs s THR 8 Ca -0.04 -0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3dfs s THR 8 Cb -0.10 -3.33 0.27 0.00 1.34 0.00 0.00 72.50 70.69 3dfs s THR 8 CO 0.02 -0.29 1.93 -0.65 -0.54 0.00 0.00 174.62 175.08 3dfs h PRO 9 N -0.04 1.09 -0.44 3.99 0.11 -2.01 -1.10 132.00 133.60 3dfs h PRO 9 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3dfs h PRO 9 Cb 1.27 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3dfs h PRO 9 CO 0.58 0.72 0.21 0.93 -0.21 0.00 0.00 178.00 180.24 3dfs h GLU 10 N 1.13 0.63 -0.70 1.05 3.07 -1.99 -0.30 114.58 117.46 3dfs h GLU 10 Ca 0.36 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 3dfs h GLU 10 Cb 0.04 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 3dfs h GLU 10 CO -0.11 0.54 0.27 1.96 -1.40 0.00 0.00 179.01 180.27 3dfs h GLN 11 N 0.56 1.06 -0.47 2.33 4.20 -1.81 -1.83 115.11 119.15 3dfs h GLN 11 Ca 0.15 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3dfs h GLN 11 Cb 0.12 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3dfs h GLN 11 CO -0.02 0.88 0.21 0.87 -0.67 0.00 0.00 178.83 180.10 3dfs h LYS 12 N 1.01 0.70 -0.74 1.46 1.57 -0.93 -1.86 116.57 117.77 3dfs h LYS 12 Ca 0.23 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3dfs h LYS 12 Cb 0.22 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 3dfs h LYS 12 CO -0.02 0.61 0.48 -0.22 -0.57 0.00 0.00 179.45 179.73 3dfs h LYS 13 N 0.62 0.92 -0.42 3.15 3.64 -0.79 0.39 116.57 124.08 3dfs h LYS 13 Ca 0.16 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3dfs h LYS 13 Cb 0.16 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3dfs h LYS 13 CO -0.02 0.61 0.21 1.49 -2.27 0.00 0.00 179.45 179.47 3dfs h GLU 14 N 0.95 0.61 -0.42 1.90 4.81 -1.05 -0.44 114.58 120.94 3dfs h GLU 14 Ca 0.29 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3dfs h GLU 14 Cb -0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3dfs h GLU 14 CO -0.09 0.52 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.59 3dfs h LEU 15 N 0.54 0.76 -0.39 1.64 3.38 -0.98 -2.25 115.31 118.00 3dfs h LEU 15 Ca 0.15 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3dfs h LEU 15 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3dfs h LEU 15 CO -0.02 0.91 0.16 -1.28 0.09 0.00 0.00 178.44 178.31 3dfs h SER 16 N 0.59 0.54 -0.86 -0.43 0.87 -0.77 -1.51 113.55 111.98 3dfs h SER 16 Ca 0.11 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3dfs h SER 16 Cb 0.55 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 3dfs h SER 16 CO 0.03 0.55 0.50 0.44 -0.53 0.00 0.00 176.83 177.82 3dfs h ASP 17 N 0.49 1.05 -0.06 6.23 3.32 -1.03 -1.23 116.42 125.19 3dfs h ASP 17 Ca 0.13 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3dfs h ASP 17 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3dfs h ASP 17 CO -0.01 0.83 0.02 0.40 -1.72 0.00 0.00 179.24 178.76 3dfs h ILE 18 N 1.19 1.15 -0.76 0.35 2.04 -1.21 -1.91 117.51 118.35 3dfs h ILE 18 Ca 0.31 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.77 3dfs h ILE 18 Cb -0.02 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3dfs h ILE 18 CO -0.05 0.12 0.46 0.00 0.00 0.00 0.00 178.15 178.68 3dfs h ALA 19 N 0.85 1.02 -0.43 1.87 0.00 -1.01 -2.48 119.26 119.08 3dfs h ALA 19 Ca 0.02 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3dfs h ALA 19 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dfs h ALA 19 CO -0.00 0.20 -0.20 0.45 0.00 0.00 0.00 179.25 179.70 3dfs h HIS 20 N 0.87 0.96 -0.76 0.00 3.86 -1.13 -3.02 115.15 115.93 3dfs h HIS 20 Ca 0.33 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3dfs h HIS 20 Cb 0.12 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 3dfs h HIS 20 CO -0.05 0.97 0.38 0.00 0.86 0.00 0.00 177.93 180.09 3dfs h ARG 21 N 0.74 1.08 -0.90 2.45 3.08 -1.01 -1.51 114.38 118.31 3dfs h ARG 21 Ca 0.11 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dfs h ARG 21 Cb 0.73 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3dfs h ARG 21 CO 0.06 0.83 0.58 0.82 -1.07 0.00 0.00 179.97 181.19 3dfs h ILE 22 N 1.06 1.24 -0.51 2.04 2.04 -1.35 -3.03 117.51 119.01 3dfs h ILE 22 Ca 0.26 -0.46 -0.22 0.00 1.00 0.00 0.00 64.86 65.45 3dfs h ILE 22 Cb 0.09 -0.07 -0.13 0.00 -0.74 0.00 0.00 36.82 35.97 3dfs h ILE 22 CO -0.04 0.24 0.12 1.33 0.00 0.00 0.00 178.15 179.80 3dfs n VAL 23 N -4.44 2.68 -1.47 1.67 0.24 -1.11 -4.14 118.33 111.76 3dfs n VAL 23 Ca 0.10 -2.31 -0.36 0.00 -2.04 0.00 0.00 64.34 59.72 3dfs n VAL 23 Cb 0.03 -0.34 0.07 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.91 -0.09 -1.64 2.33 0.00 -0.58 -4.73 120.51 114.88 3dfs n ALA 24 Ca 0.37 -0.11 -0.61 0.00 0.00 0.00 0.00 53.44 53.09 3dfs n ALA 24 Cb 1.18 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.48 0.38 -0.68 0.00 -0.02 -1.26 -0.77 135.00 131.16 3dfs n PRO 25 Ca 0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3dfs n PRO 25 Cb 0.49 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 3.05 1.06 3.67 -1.23 0.00 -1.26 -5.04 105.19 105.45 3dfs n GLY 26 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 2.47 0.00 1.61 1.02 0.05 -4.34 119.74 120.33 3dfs s LYS 27 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.04 3dfs s LYS 27 Cb 0.00 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 3dfs s LYS 27 CO 0.00 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 3dfs n GLY 28 N 0.31 3.91 3.33 -3.33 0.00 -0.03 -4.63 105.19 104.75 3dfs n GLY 28 Ca -0.11 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.03 2.47 -0.33 -0.61 1.01 0.18 -0.47 121.20 121.41 3dfs s ILE 29 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 60.65 59.54 3dfs s ILE 29 Cb 0.00 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 3dfs s ILE 29 CO 0.00 0.57 0.62 -0.22 0.00 0.00 0.00 174.94 175.91 3dfs s LEU 30 N -0.17 4.21 -0.80 2.97 2.96 -0.37 -2.13 118.68 125.34 3dfs s LEU 30 Ca -0.02 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.97 3dfs s LEU 30 Cb -0.14 -2.78 0.15 0.00 0.50 0.00 0.00 46.19 43.92 3dfs s LEU 30 CO 0.04 -0.53 0.90 0.00 -1.32 0.00 0.00 176.35 175.43 3dfs s ALA 31 N 2.64 3.60 -0.30 5.97 0.00 0.08 -1.13 121.76 132.62 3dfs s ALA 31 Ca 0.24 -2.79 0.08 0.00 0.00 0.00 0.00 51.96 49.49 3dfs s ALA 31 Cb -0.15 -3.74 0.46 0.00 0.00 0.00 0.00 23.12 19.69 3dfs s ALA 31 CO 0.13 -2.59 1.35 0.00 0.00 0.00 0.00 175.76 174.65 3dfs n ALA 32 N 5.70 4.59 -0.67 0.00 0.00 -0.86 -4.17 120.51 125.10 3dfs n ALA 32 Ca 0.11 -3.46 -0.11 0.00 0.00 0.00 0.00 53.44 49.98 3dfs n ALA 32 Cb 0.47 -0.57 0.20 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.95 3.95 -4.74 0.00 3.41 -0.97 -4.22 113.62 110.09 3dfs n SER 33 Ca 0.36 -3.10 -0.42 0.00 -0.26 0.00 0.00 58.87 55.45 3dfs n SER 33 Cb 0.89 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.53 4.13 1.18 4.33 8.01 -1.26 -4.42 118.70 128.14 3dfs s GLU 34 Ca 0.44 2.56 -0.18 0.00 0.01 0.00 0.00 54.97 57.80 3dfs s GLU 34 Cb 0.36 -3.04 0.28 0.00 -4.31 0.00 0.00 34.13 27.42 3dfs s GLU 34 CO 0.10 -0.64 1.10 -1.54 0.01 0.00 0.00 175.26 174.29 3dfs s SER 35 N 0.62 1.09 0.20 -0.19 1.04 -1.26 -4.60 113.70 110.60 3dfs s SER 35 Ca 0.65 0.74 -0.09 0.00 0.48 0.00 0.00 55.95 57.73 3dfs s SER 35 Cb -0.48 -1.06 0.12 0.00 0.10 0.00 0.00 66.02 64.70 3dfs s SER 35 CO 0.45 -4.03 1.74 0.74 0.98 0.00 0.00 173.24 173.12 3dfs h THR 36 N -2.52 1.26 0.00 2.02 2.02 -1.98 0.18 112.91 113.89 3dfs h THR 36 Ca -0.47 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 65.74 3dfs h THR 36 Cb 1.30 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3dfs h THR 36 CO 0.38 0.34 -0.52 1.23 0.37 0.00 0.00 175.52 177.32 3dfs h GLY 37 N 1.05 0.00 0.66 2.16 0.00 -2.00 -2.31 103.07 102.62 3dfs h GLY 37 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 3dfs h GLY 37 CO -0.01 0.00 -0.76 0.23 0.00 0.00 0.00 176.54 176.00 3dfs h SER 38 N 0.00 0.45 0.74 0.19 0.87 -1.80 -3.27 113.55 110.73 3dfs h SER 38 Ca -0.01 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 3dfs h SER 38 Cb 1.06 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 3dfs h SER 38 CO 0.07 1.36 0.00 -0.29 -0.53 0.00 0.00 176.83 177.44 3dfs h ILE 39 N -0.39 0.00 -0.35 2.23 6.09 -0.69 -3.05 117.51 121.35 3dfs h ILE 39 Ca -0.13 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 63.09 3dfs h ILE 39 Cb 1.59 1.02 -0.02 0.00 0.47 0.00 0.00 36.82 39.89 3dfs h ILE 39 CO 0.14 0.00 0.17 0.00 -3.07 0.00 0.00 178.15 175.40 3dfs h ALA 40 N 2.22 0.46 -0.59 0.18 0.00 -1.46 -1.59 119.26 118.48 3dfs h ALA 40 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3dfs h ALA 40 Cb 0.37 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3dfs h ALA 40 CO 0.00 0.01 0.16 0.87 0.00 0.00 0.00 179.25 180.29 3dfs h LYS 41 N 0.44 0.90 -0.71 0.00 1.57 -1.69 -1.47 116.57 115.61 3dfs h LYS 41 Ca 0.12 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3dfs h LYS 41 Cb 0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3dfs h LYS 41 CO -0.02 0.80 0.32 0.00 -0.57 0.00 0.00 179.45 179.98 3dfs h ARG 42 N 0.87 1.04 -0.00 3.15 2.47 -1.56 -2.28 114.38 118.06 3dfs h ARG 42 Ca 0.19 -0.16 -0.14 0.00 -1.26 0.00 0.00 59.98 58.61 3dfs h ARG 42 Cb 0.29 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 3dfs h ARG 42 CO -0.00 0.83 -0.64 -0.07 0.56 0.00 0.00 179.97 180.64 3dfs h LEU 43 N 1.00 0.02 -0.62 3.04 3.38 -0.92 -3.14 115.31 118.07 3dfs h LEU 43 Ca 0.24 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3dfs h LEU 43 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3dfs h LEU 43 CO -0.03 0.66 -0.64 1.56 0.09 0.00 0.00 178.44 180.08 3dfs h GLN 44 N 0.01 0.00 0.00 1.13 1.08 -1.01 0.21 115.11 116.54 3dfs h GLN 44 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3dfs h GLN 44 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3dfs h GLN 44 CO 0.08 0.64 0.00 -1.13 -0.95 0.00 0.00 178.83 177.48 3dfs n SER 45 N -3.65 0.30 -0.11 1.46 3.41 -0.88 -1.81 113.62 112.34 3dfs n SER 45 Ca -0.01 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.25 3dfs n SER 45 Cb 0.66 -0.65 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 3dfs n SER 45 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3dfs n ILE 46 N -1.85 1.25 -3.57 -1.33 -5.35 -1.09 -5.02 119.36 102.40 3dfs n ILE 46 Ca 0.02 -1.45 -0.27 0.00 -0.27 0.00 0.00 62.75 60.78 3dfs n ILE 46 Cb 0.15 0.15 0.05 0.00 -1.74 0.00 0.00 39.64 38.25 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 -0.88 -1.05 2.86 3.28 0.00 -0.75 -4.63 105.19 104.02 3dfs n GLY 47 Ca 0.08 0.49 -0.21 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.42 0.49 0.25 2.61 2.01 0.03 -4.92 115.64 112.70 3dfs s THR 48 Ca 0.45 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.08 3dfs s THR 48 Cb -0.14 -0.55 -0.12 0.00 0.01 0.00 0.00 72.50 71.70 3dfs s THR 48 CO 0.83 0.23 1.58 1.21 -0.69 0.00 0.00 174.62 177.78 3dfs n GLU 49 N 4.33 2.51 -2.68 4.92 2.13 -1.26 -4.25 120.64 126.34 3dfs n GLU 49 Ca -0.21 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.08 3dfs n GLU 49 Cb 0.51 -2.66 -0.00 0.00 0.27 0.00 0.00 31.44 29.55 3dfs n GLU 49 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3dfs s ASN 50 N 0.62 6.88 0.31 4.31 2.47 -1.26 -4.79 114.94 123.49 3dfs s ASN 50 Ca 0.69 -2.54 0.09 0.00 0.42 0.00 0.00 52.86 51.52 3dfs s ASN 50 Cb -0.55 -2.53 -0.05 0.00 -1.45 0.00 0.00 41.25 36.68 3dfs s ASN 50 CO 0.44 -1.07 0.05 0.42 -3.72 0.00 0.00 177.10 173.22 3dfs s THR 51 N 3.54 3.07 0.22 -5.21 -4.23 -1.26 -5.03 115.64 106.74 3dfs s THR 51 Ca 0.50 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.07 3dfs s THR 51 Cb 0.02 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.16 3dfs s THR 51 CO 0.05 -0.26 1.82 -0.08 -0.54 0.00 0.00 174.62 175.60 3dfs h GLU 52 N 1.75 1.18 -0.65 3.99 4.81 -1.99 -1.14 114.58 122.54 3dfs h GLU 52 Ca -0.44 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 3dfs h GLU 52 Cb 1.25 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3dfs h GLU 52 CO 0.63 0.89 0.28 1.49 -0.73 0.00 0.00 179.01 181.57 3dfs h GLU 53 N 1.17 0.95 -0.23 1.92 4.57 -1.97 0.17 114.58 121.16 3dfs h GLU 53 Ca 0.29 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3dfs h GLU 53 Cb 0.09 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3dfs h GLU 53 CO -0.04 0.78 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.45 3dfs h ASN 54 N 0.90 0.41 -0.28 1.04 2.35 -1.77 0.11 115.58 118.33 3dfs h ASN 54 Ca 0.22 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 3dfs h ASN 54 Cb 0.17 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3dfs h ASN 54 CO -0.02 0.64 -0.25 0.03 -1.65 0.00 0.00 177.43 176.17 3dfs h ARG 55 N 0.38 0.67 -0.25 0.81 3.08 -0.68 -1.75 114.38 116.64 3dfs h ARG 55 Ca 0.06 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3dfs h ARG 55 Cb 0.59 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3dfs h ARG 55 CO 0.04 0.95 0.13 -0.09 -1.07 0.00 0.00 179.97 179.94 3dfs h ARG 56 N 0.41 0.35 -0.91 0.04 2.43 -0.36 -0.43 114.38 115.92 3dfs h ARG 56 Ca 0.05 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3dfs h ARG 56 Cb 0.82 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 3dfs h ARG 56 CO 0.06 0.32 0.59 0.35 -1.51 0.00 0.00 179.97 179.79 3dfs h PHE 57 N 0.29 1.12 -0.15 2.20 3.57 -0.74 0.12 116.94 123.35 3dfs h PHE 57 Ca 0.09 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3dfs h PHE 57 Cb 0.08 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 38.44 3dfs h PHE 57 CO -0.03 0.67 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.72 3dfs h TYR 58 N 1.18 0.36 -0.44 0.41 3.20 -1.07 -0.86 116.97 119.74 3dfs h TYR 58 Ca 0.35 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3dfs h TYR 58 Cb -0.06 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3dfs h TYR 58 CO -0.01 0.65 0.11 0.00 -1.64 0.00 0.00 178.16 177.27 3dfs h ARG 59 N -0.03 0.66 -0.60 1.82 -0.00 -0.82 -2.05 114.38 113.36 3dfs h ARG 59 Ca 0.03 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.98 59.31 3dfs h ARG 59 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 29.97 30.40 3dfs h ARG 59 CO 0.02 0.60 0.05 0.37 0.00 0.00 0.00 179.97 181.02 3dfs h GLN 60 N 0.64 1.02 -0.73 0.04 4.15 -0.63 -0.54 115.11 119.06 3dfs h GLN 60 Ca 0.15 -0.30 0.10 0.00 0.77 0.00 0.00 58.65 59.38 3dfs h GLN 60 Cb 0.23 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.74 3dfs h GLN 60 CO -0.00 0.98 0.35 1.25 -1.93 0.00 0.00 178.83 179.47 3dfs h LEU 61 N 0.91 0.44 -0.01 -2.39 6.46 -0.45 0.15 115.31 120.42 3dfs h LEU 61 Ca 0.18 0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 3dfs h LEU 61 Cb 0.48 -0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3dfs h LEU 61 CO 0.02 0.24 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.58 3dfs h LEU 62 N 0.58 0.40 -1.12 2.25 3.38 -1.22 -3.31 115.31 116.27 3dfs h LEU 62 Ca 0.37 -0.75 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 3dfs h LEU 62 Cb 0.42 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dfs h LEU 62 CO -0.29 1.09 -0.34 -0.07 0.09 0.00 0.00 178.44 178.92 3dfs h LEU 63 N -0.26 0.18 -3.34 1.67 3.38 -0.77 -3.08 115.31 113.09 3dfs h LEU 63 Ca -0.05 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.71 3dfs h LEU 63 Cb 1.15 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.76 3dfs h LEU 63 CO 0.09 0.52 0.18 0.35 0.09 0.00 0.00 178.44 179.67 3dfs n THR 64 N -4.10 2.52 -1.18 0.22 -2.24 0.49 -4.81 114.28 105.18 3dfs n THR 64 Ca -0.01 -1.33 -0.33 0.00 -2.27 0.00 0.00 64.05 60.11 3dfs n THR 64 Cb 0.42 -0.39 0.12 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 -2.59 1.92 1.01 6.98 0.00 -1.17 -4.95 121.76 122.96 3dfs s ALA 65 Ca 0.47 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 3dfs s ALA 65 Cb 0.37 -3.45 0.20 0.00 0.00 0.00 0.00 23.12 20.23 3dfs s ALA 65 CO 0.12 -2.16 1.07 -0.40 0.00 0.00 0.00 175.76 174.39 3dfs n ASP 66 N -3.26 -0.47 0.00 0.00 5.68 -1.26 -4.83 116.55 112.40 3dfs n ASP 66 Ca 0.13 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 3dfs n ASP 66 Cb 0.51 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.10 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 -4.42 0.00 0.24 -1.12 8.00 -1.26 -2.33 116.55 115.67 3dfs n ASP 67 Ca 0.09 0.31 0.07 0.00 0.71 0.00 0.00 54.79 55.97 3dfs n ASP 67 Cb 0.53 -0.31 0.59 0.00 -0.02 0.00 0.00 41.12 41.91 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 -2.29 114.38 111.92 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 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3dfs h ARG 68 CO 0.00 0.10 0.00 -0.39 -1.07 0.00 0.00 179.97 178.61 3dfs h VAL 69 N 0.00 0.00 -0.56 2.04 -1.51 -1.80 -3.37 116.25 111.05 3dfs h VAL 69 Ca -0.00 -0.77 0.11 0.00 -1.23 0.00 0.00 66.70 64.81 3dfs h VAL 69 Cb 0.18 1.76 -0.11 0.00 -2.13 0.00 0.00 31.29 30.99 3dfs h VAL 69 CO 0.01 0.00 -0.22 0.78 -1.23 0.00 0.00 177.57 176.92 3dfs h ASN 70 N 0.00 -0.76 0.47 4.19 4.21 -1.62 0.29 115.58 122.35 3dfs h ASN 70 Ca 0.00 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3dfs h ASN 70 Cb 0.87 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 3dfs h ASN 70 CO 0.00 -0.24 0.00 -0.81 -1.29 0.00 0.00 177.43 175.09 3dfs n PRO 71 N -5.42 0.38 -0.05 0.81 -0.04 -1.26 -3.35 135.00 126.06 3dfs n PRO 71 Ca 0.05 0.04 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 3dfs n PRO 71 Cb 0.33 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.55 4.30 -0.22 0.00 -1.09 -0.03 -0.86 121.20 120.75 3dfs s ILE 73 Ca -0.09 -1.13 0.20 0.00 -2.23 0.00 0.00 60.65 57.40 3dfs s ILE 73 Cb 0.07 -3.50 -0.00 0.00 -1.58 0.00 0.00 42.46 37.45 3dfs s ILE 73 CO 0.81 -0.34 1.07 1.23 -1.23 0.00 0.00 174.94 176.48 3dfs h GLY 74 N 8.39 0.00 -3.37 6.18 0.00 -0.93 -3.37 103.07 109.96 3dfs h GLY 74 Ca -0.24 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 3dfs h GLY 74 CO 0.69 0.00 0.09 -0.32 0.00 0.00 0.00 176.54 177.01 3dfs s GLY 75 N -4.48 -0.48 -0.07 4.60 0.00 -1.12 -1.09 107.32 104.68 3dfs s GLY 75 Ca -0.00 0.53 -0.01 0.00 0.00 0.00 0.00 44.72 45.24 3dfs s GLY 75 CO 0.78 0.22 -0.00 0.14 0.00 0.00 0.00 173.10 174.24 3dfs s VAL 76 N -2.97 0.40 -0.19 1.40 1.01 -0.32 -1.23 120.40 118.49 3dfs s VAL 76 Ca -0.02 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 3dfs s VAL 76 Cb -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3dfs s VAL 76 CO -0.06 0.26 0.63 -0.63 0.00 0.00 0.00 175.10 175.30 3dfs s ILE 77 N 1.86 5.03 0.21 2.22 1.01 -0.28 -0.26 121.20 130.99 3dfs s ILE 77 Ca 0.03 1.19 0.09 0.00 0.00 0.00 0.00 60.65 61.96 3dfs s ILE 77 Cb -0.12 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 3dfs s ILE 77 CO -0.05 0.12 -0.05 -0.76 0.00 0.00 0.00 174.94 174.20 3dfs s LEU 78 N 1.82 3.10 0.39 2.97 1.43 0.60 -2.03 118.68 126.96 3dfs s LEU 78 Ca 0.29 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 3dfs s LEU 78 Cb -0.16 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3dfs s LEU 78 CO 0.11 0.07 0.71 0.12 0.23 0.00 0.00 176.35 177.58 3dfs s PHE 79 N -1.93 3.49 0.19 0.29 5.36 -1.26 -1.86 117.98 122.26 3dfs s PHE 79 Ca 0.28 0.86 -0.24 0.00 -0.96 0.00 0.00 56.93 56.87 3dfs s PHE 79 Cb -0.08 -2.30 0.09 0.00 -0.34 0.00 0.00 43.02 40.39 3dfs s PHE 79 CO 0.17 -0.06 1.55 1.25 -1.46 0.00 0.00 175.22 176.68 3dfs h HIS 80 N 1.14 -1.38 -0.51 10.12 6.17 -1.92 -1.72 115.15 127.05 3dfs h HIS 80 Ca -0.47 0.11 0.10 0.00 0.71 0.00 0.00 60.37 60.82 3dfs h HIS 80 Cb 1.19 0.73 -0.10 0.00 2.52 0.00 0.00 27.41 31.75 3dfs h HIS 80 CO 0.59 -0.40 -0.17 1.49 0.71 0.00 0.00 177.93 180.15 3dfs h GLU 81 N -0.07 -0.05 -0.14 5.26 4.81 -1.98 -2.02 114.58 120.39 3dfs h GLU 81 Ca 0.24 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 3dfs h GLU 81 Cb 0.53 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3dfs h GLU 81 CO -0.88 -0.03 -0.13 1.15 -0.73 0.00 0.00 179.01 178.39 3dfs h THR 82 N -0.05 1.17 0.00 0.32 2.02 -1.71 -2.25 112.91 112.41 3dfs h THR 82 Ca 0.25 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 3dfs h THR 82 Cb 0.43 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3dfs h THR 82 CO -0.55 0.23 -0.02 0.25 0.37 0.00 0.00 175.52 175.80 3dfs h LEU 83 N 0.20 0.00 -2.99 2.58 5.85 -0.94 -2.29 115.31 117.72 3dfs h LEU 83 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3dfs h LEU 83 Cb 0.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3dfs h LEU 83 CO 0.02 0.02 0.00 -1.22 -0.34 0.00 0.00 178.44 176.92 3dfs n TYR 84 N -3.56 0.66 -3.26 1.25 4.01 -0.85 -4.58 117.16 110.83 3dfs n TYR 84 Ca -0.03 -0.60 -0.21 0.00 -0.16 0.00 0.00 57.90 56.90 3dfs n TYR 84 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -1.51 3.14 0.17 -0.72 -0.21 -0.86 -4.99 119.66 114.67 3dfs s GLN 85 Ca 0.30 -0.68 0.08 0.00 0.02 0.00 0.00 55.36 55.09 3dfs s GLN 85 Cb 0.19 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3dfs s GLN 85 CO 0.15 -0.07 -0.18 0.15 -2.12 0.00 0.00 175.29 173.22 3dfs s LYS 86 N -4.36 1.27 0.83 2.91 1.02 -1.26 -1.78 119.74 118.37 3dfs s LYS 86 Ca 0.45 -1.42 -0.12 0.00 0.02 0.00 0.00 55.97 54.91 3dfs s LYS 86 Cb -0.10 -1.31 0.09 0.00 -0.52 0.00 0.00 37.83 36.00 3dfs s LYS 86 CO 0.35 0.26 1.13 0.00 -0.92 0.00 0.00 175.35 176.17 3dfs s ALA 87 N -2.12 2.25 0.41 5.17 0.00 0.65 -4.87 121.76 123.25 3dfs s ALA 87 Ca 0.16 -0.43 0.17 0.00 0.00 0.00 0.00 51.96 51.85 3dfs s ALA 87 Cb -0.05 -3.04 1.05 0.00 0.00 0.00 0.00 23.12 21.08 3dfs s ALA 87 CO 0.07 -1.84 1.85 -0.44 0.00 0.00 0.00 175.76 175.40 3dfs h ASP 88 N -1.17 0.44 0.00 0.00 3.32 -1.99 0.26 116.42 117.28 3dfs h ASP 88 Ca -0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3dfs h ASP 88 Cb 1.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3dfs h ASP 88 CO 0.62 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 177.42 3dfs n ASP 89 N -4.53 0.00 0.00 6.45 5.75 -1.26 -4.87 116.55 118.09 3dfs n ASP 89 Ca 0.19 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 3dfs n ASP 89 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3dfs n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dfs n GLY 90 N 0.70 1.04 3.71 6.12 0.00 0.93 -5.04 105.19 112.64 3dfs n GLY 90 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.50 4.47 0.46 1.61 0.52 -1.25 -4.70 118.95 119.56 3dfs s ARG 91 Ca 0.00 1.62 -0.25 0.00 -0.52 0.00 0.00 55.73 56.58 3dfs s ARG 91 Cb 0.00 -3.42 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 3dfs s ARG 91 CO 0.00 -0.20 1.42 -2.14 0.02 0.00 0.00 175.30 174.40 3dfs s PRO 92 N 1.19 3.62 0.26 3.54 0.02 -1.26 -0.25 135.00 142.12 3dfs s PRO 92 Ca 0.56 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.95 3dfs s PRO 92 Cb -0.26 -2.61 0.47 0.00 0.02 0.00 0.00 34.50 32.13 3dfs s PRO 92 CO 0.28 -0.86 1.82 0.74 -0.33 0.00 0.00 177.00 178.65 3dfs h PHE 93 N 2.22 1.01 -0.92 6.54 0.04 -1.63 -0.31 116.94 123.90 3dfs h PHE 93 Ca -0.51 0.03 0.13 0.00 2.80 0.00 0.00 57.97 60.42 3dfs h PHE 93 Cb 1.27 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 3dfs h PHE 93 CO 0.50 0.41 0.59 -1.35 -0.60 0.00 0.00 178.31 177.86 3dfs h PRO 94 N 0.91 0.78 -0.42 1.51 0.11 -1.85 0.03 132.00 133.07 3dfs h PRO 94 Ca 0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.40 3dfs h PRO 94 Cb 0.42 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3dfs h PRO 94 CO -0.25 0.52 -0.19 0.37 -0.21 0.00 0.00 178.00 178.24 3dfs h GLN 95 N 0.81 0.87 -0.35 1.05 4.15 -1.43 -1.83 115.11 118.38 3dfs h GLN 95 Ca 0.46 -0.37 0.02 0.00 0.77 0.00 0.00 58.65 59.53 3dfs h GLN 95 Cb 0.61 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 3dfs h GLN 95 CO -0.22 1.02 0.17 0.28 -1.93 0.00 0.00 178.83 178.15 3dfs h VAL 96 N 0.70 0.98 -0.06 2.39 2.07 -0.34 -0.65 116.25 121.34 3dfs h VAL 96 Ca 0.10 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3dfs h VAL 96 Cb 0.75 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3dfs h VAL 96 CO 0.06 0.06 0.04 0.40 0.02 0.00 0.00 177.57 178.15 3dfs h ILE 97 N 0.36 1.05 -0.84 4.57 2.04 -0.96 -2.93 117.51 120.80 3dfs h ILE 97 Ca 0.15 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3dfs h ILE 97 Cb 0.06 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3dfs h ILE 97 CO -0.10 0.04 0.41 0.11 0.00 0.00 0.00 178.15 178.61 3dfs h LYS 98 N 0.05 1.20 0.00 2.37 1.57 -1.13 -1.04 116.57 119.58 3dfs h LYS 98 Ca 0.02 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3dfs h LYS 98 Cb 0.04 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3dfs h LYS 98 CO -0.00 0.92 -0.00 0.66 -0.57 0.00 0.00 179.45 180.45 3dfs h SER 99 N 1.19 0.00 -0.54 0.86 4.64 -1.00 -0.65 113.55 118.05 3dfs h SER 99 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3dfs h SER 99 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3dfs h SER 99 CO -0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3dfs n LYS 100 N -3.10 2.47 -0.47 4.77 5.02 -0.86 -4.93 118.16 121.05 3dfs n LYS 100 Ca -0.01 -2.25 0.00 0.00 -2.02 0.00 0.00 58.31 54.02 3dfs n LYS 100 Cb 0.18 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.51 0.75 3.93 0.72 0.00 -0.25 -4.56 105.19 107.29 3dfs n GLY 101 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.80 1.79 -0.01 -0.02 0.00 -0.45 -4.79 107.32 102.03 3dfs s GLY 102 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 44.72 43.77 3dfs s GLY 102 CO 0.00 -0.78 0.35 0.14 0.00 0.00 0.00 173.10 172.81 3dfs s VAL 103 N -1.87 5.15 -0.10 1.40 1.01 -0.25 -3.47 120.40 122.26 3dfs s VAL 103 Ca 0.38 0.63 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 3dfs s VAL 103 Cb -0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3dfs s VAL 103 CO 0.29 0.54 0.45 -0.69 0.00 0.00 0.00 175.10 175.69 3dfs s VAL 104 N -1.12 5.17 0.29 2.92 1.01 -1.26 -1.17 120.40 126.23 3dfs s VAL 104 Ca 0.23 0.90 0.12 0.00 0.00 0.00 0.00 61.98 63.23 3dfs s VAL 104 Cb -0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3dfs s VAL 104 CO 0.12 0.37 -0.18 -0.83 0.00 0.00 0.00 175.10 174.59 3dfs s GLY 105 N 0.33 1.93 -0.02 4.51 0.00 0.65 -0.67 107.32 114.04 3dfs s GLY 105 Ca 0.25 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3dfs s GLY 105 CO 0.10 -1.97 -0.00 -1.50 0.00 0.00 0.00 173.10 169.73 3dfs s ILE 106 N -2.52 0.14 -0.04 0.90 1.10 -0.46 -0.29 121.20 120.03 3dfs s ILE 106 Ca 0.30 0.03 -0.30 0.00 -0.51 0.00 0.00 60.65 60.18 3dfs s ILE 106 Cb -0.04 -0.19 -0.03 0.00 0.15 0.00 0.00 42.46 42.35 3dfs s ILE 106 CO 0.15 0.10 1.03 -0.75 -2.11 0.00 0.00 174.94 173.36 3dfs s LYS 107 N 0.60 4.48 0.00 3.50 2.36 -0.78 -1.58 119.74 128.32 3dfs s LYS 107 Ca -0.06 1.46 0.00 0.00 -2.55 0.00 0.00 55.97 54.83 3dfs s LYS 107 Cb -0.08 -3.49 -0.00 0.00 -1.05 0.00 0.00 37.83 33.21 3dfs s LYS 107 CO -0.01 -0.20 0.28 1.33 1.55 0.00 0.00 175.35 178.30 3dfs n VAL 108 N 4.20 0.00 -1.72 4.02 0.24 -0.69 -4.64 118.33 119.74 3dfs n VAL 108 Ca 0.08 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.58 3dfs n VAL 108 Cb 0.49 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 -0.50 5.08 -0.34 -1.34 1.47 -1.25 -4.86 116.67 114.92 3dfs s ASP 109 Ca 0.00 1.25 0.06 0.00 1.18 0.00 0.00 52.55 55.05 3dfs s ASP 109 Cb 0.00 -2.04 0.47 0.00 -0.34 0.00 0.00 42.92 41.01 3dfs s ASP 109 CO 0.01 -1.59 1.39 0.29 0.68 0.00 0.00 175.17 175.96 3dfs n LYS 110 N -3.18 2.82 0.00 2.11 5.02 0.31 -4.96 118.16 120.28 3dfs n LYS 110 Ca 0.07 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.66 3dfs n LYS 110 Cb 0.56 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 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 -0.89 -1.64 3.88 0.72 0.00 -1.26 -4.69 105.19 101.31 3dfs n GLY 111 Ca 0.42 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.96 4.76 0.02 1.61 -7.23 -1.26 -1.76 120.40 114.58 3dfs s VAL 112 Ca 0.00 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 3dfs s VAL 112 Cb 0.00 -3.79 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 3dfs s VAL 112 CO 0.00 -0.75 -0.04 0.68 -0.31 0.00 0.00 175.10 174.68 3dfs s VAL 113 N -2.66 0.20 0.33 1.32 -7.23 -0.26 -4.88 120.40 107.21 3dfs s VAL 113 Ca 0.52 -0.88 -0.28 0.00 -1.81 0.00 0.00 61.98 59.53 3dfs s VAL 113 Cb -0.10 -0.32 -0.10 0.00 0.56 0.00 0.00 36.38 36.42 3dfs s VAL 113 CO 0.39 -0.44 1.23 -2.16 -0.31 0.00 0.00 175.10 173.82 3dfs s PRO 114 N -1.38 4.39 -0.41 4.82 0.04 -1.26 -1.44 135.00 139.76 3dfs s PRO 114 Ca -0.14 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 3dfs s PRO 114 Cb -0.09 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.42 3dfs s PRO 114 CO -0.01 -0.10 0.41 -0.51 0.04 0.00 0.00 177.00 176.84 3dfs s LEU 115 N -1.80 4.84 0.55 -3.56 1.43 0.37 -4.82 118.68 115.69 3dfs s LEU 115 Ca 0.49 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 3dfs s LEU 115 Cb -0.36 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 3dfs s LEU 115 CO 0.48 -0.53 1.35 0.00 0.23 0.00 0.00 176.35 177.87 3dfs n ALA 116 N 5.52 1.54 -0.92 4.21 0.00 -1.26 -2.76 120.51 126.83 3dfs n ALA 116 Ca -0.08 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3dfs n ALA 116 Cb 0.48 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3dfs n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfs n GLY 117 N 0.77 0.63 3.65 0.00 0.00 -1.26 -5.03 105.19 103.95 3dfs n GLY 117 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.39 1.90 -1.22 2.61 -4.23 -1.11 -5.05 115.64 106.15 3dfs s THR 118 Ca 0.00 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.42 3dfs s THR 118 Cb 0.00 -2.88 0.18 0.00 1.34 0.00 0.00 72.50 71.15 3dfs s THR 118 CO 0.00 0.00 1.53 -3.20 -0.54 0.00 0.00 174.62 172.41 3dfs n ASN 119 N -1.04 5.26 -1.55 3.99 5.15 -1.26 -4.48 115.26 121.33 3dfs n ASN 119 Ca -0.07 -3.03 -0.15 0.00 -0.60 0.00 0.00 54.58 50.73 3dfs n ASN 119 Cb 0.67 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.37 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 3.54 0.30 3.91 8.20 0.00 -1.26 -5.01 105.19 114.87 3dfs n GLY 120 Ca 0.36 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.30 3.60 0.24 1.61 2.02 -1.26 -4.97 118.70 115.63 3dfs s GLU 121 Ca 0.00 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.05 3dfs s GLU 121 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.64 3dfs s GLU 121 CO 0.00 0.06 0.08 0.95 0.02 0.00 0.00 175.26 176.37 3dfs s THR 122 N -2.34 0.57 0.25 3.63 -4.23 -1.26 -0.47 115.64 111.79 3dfs s THR 122 Ca 0.45 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 3dfs s THR 122 Cb -0.10 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3dfs s THR 122 CO 0.35 -0.11 0.07 1.07 -0.54 0.00 0.00 174.62 175.46 3dfs n THR 123 N -0.41 0.00 -4.74 3.99 5.66 -0.52 -4.78 114.28 113.48 3dfs n THR 123 Ca -0.01 -1.42 -0.24 0.00 -3.05 0.00 0.00 64.05 59.33 3dfs n THR 123 Cb 0.66 0.47 -0.15 0.00 -1.55 0.00 0.00 70.33 69.76 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 -2.40 1.35 0.43 1.09 2.01 -1.26 -1.10 115.64 115.76 3dfs s THR 124 Ca 0.10 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.37 3dfs s THR 124 Cb 0.01 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 3dfs s THR 124 CO 0.07 0.32 0.38 0.00 -0.69 0.00 0.00 174.62 174.70 3dfs s GLN 125 N -0.57 2.47 0.00 4.92 -2.07 -0.72 -4.91 119.66 118.78 3dfs s GLN 125 Ca 0.06 -1.61 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 3dfs s GLN 125 Cb -0.07 -2.32 0.00 0.00 -1.09 0.00 0.00 33.01 29.53 3dfs s GLN 125 CO -0.00 -0.25 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 3dfs n GLY 126 N -1.56 -0.12 0.13 2.60 0.00 -1.26 -0.53 105.19 104.45 3dfs n GLY 126 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 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 -9.44 0.99 3.38 -1.90 -3.41 115.31 104.93 3dfs h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 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 0.61 1.13 -1.81 0.09 0.00 0.00 178.44 178.46 3dfs s ASP 128 N -6.55 6.48 -1.06 -0.43 1.01 -1.26 -1.48 116.67 113.38 3dfs s ASP 128 Ca 0.02 2.65 0.00 0.00 0.71 0.00 0.00 52.55 55.93 3dfs s ASP 128 Cb 0.09 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.47 3dfs s ASP 128 CO 0.75 -0.99 0.00 0.61 0.21 0.00 0.00 175.17 175.75 3dfs n GLY 129 N 4.28 1.05 0.27 0.21 0.00 -1.26 -4.87 105.19 104.87 3dfs n GLY 129 Ca 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.54 -0.28 0.99 5.85 -1.49 -2.15 115.31 118.77 3dfs h LEU 130 Ca -0.20 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3dfs h LEU 130 Cb 0.94 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3dfs h LEU 130 CO 0.30 0.63 0.13 -1.28 -0.34 0.00 0.00 178.44 177.89 3dfs h SER 131 N 0.54 0.37 -0.82 1.25 0.87 -1.90 0.71 113.55 114.58 3dfs h SER 131 Ca 0.11 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3dfs h SER 131 Cb 0.40 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.22 3dfs h SER 131 CO 0.02 0.39 0.35 -0.33 -0.53 0.00 0.00 176.83 176.72 3dfs h GLU 132 N 0.32 1.21 -0.53 2.24 3.07 -1.93 -1.43 114.58 117.52 3dfs h GLU 132 Ca 0.10 -0.21 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 3dfs h GLU 132 Cb 0.12 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3dfs h GLU 132 CO -0.01 0.96 0.22 0.00 -1.40 0.00 0.00 179.01 178.77 3dfs h ARG 133 N 1.18 0.80 -0.79 2.33 3.08 -1.00 -1.76 114.38 118.20 3dfs h ARG 133 Ca 0.27 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 3dfs h ARG 133 Cb 0.19 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3dfs h ARG 133 CO -0.03 0.69 0.32 0.00 -1.07 0.00 0.00 179.97 179.88 3dfs h ALA 135 N 1.17 0.91 -0.28 0.00 0.00 -1.06 -0.83 119.26 119.17 3dfs h ALA 135 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dfs h ALA 135 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dfs h ALA 135 CO -0.02 0.66 -0.07 0.37 0.00 0.00 0.00 179.25 180.19 3dfs h GLN 136 N 1.05 0.55 -0.81 0.00 5.75 -0.97 -2.15 115.11 118.54 3dfs h GLN 136 Ca 0.21 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 3dfs h GLN 136 Cb 0.41 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 3dfs h GLN 136 CO 0.01 0.75 0.39 1.88 -2.65 0.00 0.00 178.83 179.21 3dfs h TYR 137 N 0.31 1.15 -0.21 3.99 0.05 -0.82 -0.71 116.97 120.73 3dfs h TYR 137 Ca 0.07 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3dfs h TYR 137 Cb 0.55 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3dfs h TYR 137 CO 0.05 0.83 0.12 -0.22 -1.05 0.00 0.00 178.16 177.88 3dfs h LYS 138 N 1.14 0.29 -0.51 4.88 1.63 -1.08 -0.28 116.57 122.64 3dfs h LYS 138 Ca 0.28 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3dfs h LYS 138 Cb 0.10 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3dfs h LYS 138 CO -0.04 0.26 0.34 -0.22 -3.45 0.00 0.00 179.45 176.34 3dfs h LYS 139 N 0.24 0.68 -0.80 1.90 3.64 -0.94 -2.31 116.57 118.98 3dfs h LYS 139 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3dfs h LYS 139 Cb 0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3dfs h LYS 139 CO -0.01 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 177.37 3dfs n ASP 140 N -4.46 3.20 0.00 4.20 8.00 -0.31 -4.90 116.55 122.28 3dfs n ASP 140 Ca 0.05 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.12 3dfs n ASP 140 Cb 0.05 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 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 0.31 0.32 3.81 0.44 0.00 -0.87 -4.96 105.19 104.25 3dfs n GLY 141 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 3.61 -0.07 4.61 0.00 -0.18 -4.47 121.76 123.26 3dfs s ALA 142 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.96 3dfs s ALA 142 Cb 0.00 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 3dfs s ALA 142 CO 0.00 0.41 0.07 -0.25 0.00 0.00 0.00 175.76 175.99 3dfs n ASP 143 N 1.77 1.12 -4.06 0.00 10.43 0.15 -3.91 116.55 122.05 3dfs n ASP 143 Ca -0.11 -0.42 -0.09 0.00 2.57 0.00 0.00 54.79 56.74 3dfs n ASP 143 Cb 0.51 1.02 -0.09 0.00 1.84 0.00 0.00 41.12 44.40 3dfs n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3dfs s PHE 144 N -1.40 0.63 0.28 1.24 -0.71 -1.18 -0.95 117.98 115.89 3dfs s PHE 144 Ca 0.00 -1.02 0.02 0.00 -1.04 0.00 0.00 56.93 54.90 3dfs s PHE 144 Cb 0.01 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 3dfs s PHE 144 CO 0.08 -0.57 0.14 0.00 -1.34 0.00 0.00 175.22 173.52 3dfs s ALA 145 N -4.00 1.77 -0.01 1.99 0.00 -0.19 -1.36 121.76 119.97 3dfs s ALA 145 Ca 0.19 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.37 3dfs s ALA 145 Cb 0.06 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.34 3dfs s ALA 145 CO -0.01 -0.51 -0.03 0.21 0.00 0.00 0.00 175.76 175.43 3dfs s LYS 146 N -3.93 0.27 -0.05 0.00 2.20 -0.61 -1.54 119.74 116.08 3dfs s LYS 146 Ca 0.37 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3dfs s LYS 146 Cb 0.06 -0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.12 3dfs s LYS 146 CO 0.16 0.04 0.02 -0.46 -0.36 0.00 0.00 175.35 174.75 3dfs s TRP 147 N 0.08 0.32 -0.21 4.03 -0.11 -1.23 -1.71 118.94 120.12 3dfs s TRP 147 Ca -0.00 0.05 -0.06 0.00 1.22 0.00 0.00 56.10 57.30 3dfs s TRP 147 Cb -0.03 -0.55 -0.03 0.00 -1.50 0.00 0.00 33.47 31.36 3dfs s TRP 147 CO -0.00 -0.21 0.03 0.50 -4.62 0.00 0.00 176.95 172.64 3dfs s ARG 148 N 1.73 3.68 0.03 5.86 3.52 -1.26 -2.96 118.95 129.56 3dfs s ARG 148 Ca 0.00 -0.48 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3dfs s ARG 148 Cb -0.13 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3dfs s ARG 148 CO -0.03 0.01 -0.06 0.00 -0.81 0.00 0.00 175.30 174.41 3dfs s VAL 150 N -1.07 1.53 0.11 0.00 1.01 -1.26 -1.81 120.40 118.92 3dfs s VAL 150 Ca 0.19 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3dfs s VAL 150 Cb -0.11 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3dfs s VAL 150 CO 0.10 0.44 -0.19 -0.76 0.00 0.00 0.00 175.10 174.70 3dfs s LEU 151 N 0.46 2.34 0.01 3.92 1.43 0.02 -4.53 118.68 122.33 3dfs s LEU 151 Ca -0.15 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.27 3dfs s LEU 151 Cb -0.16 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 3dfs s LEU 151 CO 0.06 -0.00 -0.15 -0.75 0.23 0.00 0.00 176.35 175.73 3dfs s LYS 152 N -2.18 1.13 -0.28 1.70 2.20 -1.26 -1.02 119.74 120.04 3dfs s LYS 152 Ca 0.08 -0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 54.86 3dfs s LYS 152 Cb -0.08 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.09 3dfs s LYS 152 CO 0.04 0.30 0.50 0.42 -0.36 0.00 0.00 175.35 176.25 3dfs s ILE 153 N -0.57 5.07 0.00 5.43 1.01 -1.26 -2.19 121.20 128.68 3dfs s ILE 153 Ca 0.04 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3dfs s ILE 153 Cb -0.07 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3dfs s ILE 153 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3dfs n GLY 154 N 4.51 3.61 0.18 6.18 0.00 -0.51 -4.80 105.19 114.35 3dfs n GLY 154 Ca -0.05 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 0.38 0.00 1.61 5.08 -2.01 -3.23 114.58 116.41 3dfs h GLU 155 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3dfs h GLU 155 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3dfs h GLU 155 CO 0.00 0.25 -0.25 0.72 -1.00 0.00 0.00 179.01 178.73 3dfs n HIS 156 N -4.94 0.00 -4.11 4.33 8.25 -1.26 -5.05 115.22 112.44 3dfs n HIS 156 Ca 0.02 -1.06 -0.13 0.00 -0.26 0.00 0.00 57.72 56.29 3dfs n HIS 156 Cb 0.12 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.63 0.68 0.23 1.59 -4.23 -1.22 -3.71 115.64 106.34 3dfs s THR 157 Ca 0.31 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.16 3dfs s THR 157 Cb 0.29 -0.99 -0.09 0.00 1.34 0.00 0.00 72.50 73.05 3dfs s THR 157 CO -0.01 -0.50 1.28 -2.84 -0.54 0.00 0.00 174.62 172.00 3dfs s PRO 158 N -2.26 4.42 0.71 3.99 0.02 -0.93 -1.42 135.00 139.52 3dfs s PRO 158 Ca -0.02 2.04 -0.11 0.00 0.02 0.00 0.00 61.00 62.93 3dfs s PRO 158 Cb -0.06 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.31 3dfs s PRO 158 CO -0.01 -0.18 1.09 -1.54 -0.33 0.00 0.00 177.00 176.04 3dfs s SER 159 N 0.04 5.38 0.22 2.53 1.04 -1.24 -4.86 113.70 116.82 3dfs s SER 159 Ca 0.54 1.08 -0.08 0.00 0.48 0.00 0.00 55.95 57.97 3dfs s SER 159 Cb -0.36 -1.86 0.28 0.00 0.10 0.00 0.00 66.02 64.17 3dfs s SER 159 CO 0.41 -1.37 1.83 0.00 0.98 0.00 0.00 173.24 175.10 3dfs h ALA 160 N -0.66 1.03 -0.20 5.32 0.00 -2.00 -1.23 119.26 121.52 3dfs h ALA 160 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3dfs h ALA 160 Cb 1.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dfs h ALA 160 CO 0.64 0.18 0.10 1.25 0.00 0.00 0.00 179.25 181.42 3dfs h LEU 161 N 0.84 0.26 -0.71 0.00 5.85 -1.99 -1.63 115.31 117.93 3dfs h LEU 161 Ca 0.33 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3dfs h LEU 161 Cb 0.16 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3dfs h LEU 161 CO -0.17 0.29 0.45 0.00 -0.34 0.00 0.00 178.44 178.68 3dfs h ALA 162 N 0.98 0.91 -0.02 1.25 0.00 -1.80 -0.02 119.26 120.56 3dfs h ALA 162 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3dfs h ALA 162 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3dfs h ALA 162 CO -0.01 0.26 0.00 0.82 0.00 0.00 0.00 179.25 180.33 3dfs h ILE 163 N 0.91 1.21 -0.15 0.00 2.04 -1.12 -2.01 117.51 118.39 3dfs h ILE 163 Ca 0.27 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3dfs h ILE 163 Cb -0.04 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3dfs h ILE 163 CO -0.08 0.17 0.08 -0.03 0.00 0.00 0.00 178.15 178.28 3dfs h MET 164 N -0.22 0.20 -0.28 2.37 4.05 -1.14 -1.70 114.93 118.20 3dfs h MET 164 Ca 0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3dfs h MET 164 Cb 0.27 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 3dfs h MET 164 CO 0.00 0.21 0.08 1.49 0.23 0.00 0.00 176.91 178.92 3dfs h GLU 165 N 0.14 0.44 -0.56 0.39 4.57 -1.04 -0.47 114.58 118.05 3dfs h GLU 165 Ca 0.05 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3dfs h GLU 165 Cb 0.06 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3dfs h GLU 165 CO -0.01 0.51 0.04 -0.91 -1.18 0.00 0.00 179.01 177.46 3dfs h ASN 166 N 0.29 0.89 -0.53 1.04 2.35 -1.36 -0.65 115.58 117.59 3dfs h ASN 166 Ca 0.09 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 3dfs h ASN 166 Cb 0.25 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3dfs h ASN 166 CO -0.00 0.92 -0.08 0.00 -1.65 0.00 0.00 177.43 176.62 3dfs h ALA 167 N 1.18 0.81 -0.33 -0.83 0.00 -1.20 -2.00 119.26 116.89 3dfs h ALA 167 Ca 0.17 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 3dfs h ALA 167 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dfs h ALA 167 CO 0.02 0.67 -0.05 -0.97 0.00 0.00 0.00 179.25 178.91 3dfs h ASN 168 N 0.91 0.62 -0.17 0.00 -1.24 -0.66 -2.29 115.58 112.75 3dfs h ASN 168 Ca 0.15 -0.34 -0.08 0.00 0.71 0.00 0.00 56.30 56.73 3dfs h ASN 168 Cb 0.64 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 3dfs h ASN 168 CO 0.04 0.82 -0.16 1.62 -1.29 0.00 0.00 177.43 178.46 3dfs h VAL 169 N 0.41 1.25 -0.80 2.57 3.04 -1.07 -1.97 116.25 119.67 3dfs h VAL 169 Ca 0.09 -1.13 -0.04 0.00 -1.01 0.00 0.00 66.70 64.61 3dfs h VAL 169 Cb 0.53 1.18 -0.04 0.00 -2.01 0.00 0.00 31.29 30.95 3dfs h VAL 169 CO 0.03 0.37 0.33 -0.07 -1.01 0.00 0.00 177.57 177.22 3dfs h LEU 170 N 0.51 1.09 -0.69 3.16 3.38 -1.25 -1.46 115.31 120.05 3dfs h LEU 170 Ca 0.09 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3dfs h LEU 170 Cb 0.57 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3dfs h LEU 170 CO 0.04 0.96 0.15 0.00 0.09 0.00 0.00 178.44 179.67 3dfs h ALA 171 N 1.20 0.92 -0.44 1.53 0.00 -0.90 -0.27 119.26 121.29 3dfs h ALA 171 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3dfs h ALA 171 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dfs h ALA 171 CO -0.02 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.06 3dfs h ARG 172 N 1.06 0.66 -0.53 0.00 2.47 -0.99 -0.51 114.38 116.54 3dfs h ARG 172 Ca 0.22 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3dfs h ARG 172 Cb 0.40 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3dfs h ARG 172 CO 0.01 0.61 0.31 -0.92 0.56 0.00 0.00 179.97 180.54 3dfs h TYR 173 N 0.57 0.70 -0.54 3.04 3.20 -1.04 -1.55 116.97 121.36 3dfs h TYR 173 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3dfs h TYR 173 Cb 0.20 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3dfs h TYR 173 CO 0.00 0.50 0.24 0.00 -1.64 0.00 0.00 178.16 177.26 3dfs h ALA 174 N 1.15 0.69 -0.41 1.82 0.00 -0.84 -1.73 119.26 119.95 3dfs h ALA 174 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dfs h ALA 174 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dfs h ALA 174 CO -0.03 0.28 0.24 1.03 0.00 0.00 0.00 179.25 180.77 3dfs h SER 175 N 0.72 0.49 -0.62 0.00 0.87 -0.76 -1.81 113.55 112.44 3dfs h SER 175 Ca 0.18 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3dfs h SER 175 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3dfs h SER 175 CO -0.02 0.40 0.06 0.40 -0.53 0.00 0.00 176.83 177.15 3dfs h ILE 176 N 0.54 1.26 0.12 2.23 2.04 -1.18 -2.79 117.51 119.74 3dfs h ILE 176 Ca 0.15 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3dfs h ILE 176 Cb 0.00 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3dfs h ILE 176 CO -0.03 0.39 -0.10 0.00 0.00 0.00 0.00 178.15 178.42 3dfs h GLN 178 N -0.23 0.00 0.00 0.00 4.20 -1.28 0.78 115.11 118.58 3dfs h GLN 178 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dfs h GLN 178 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3dfs h GLN 178 CO -0.01 0.05 0.00 1.96 -0.67 0.00 0.00 178.83 180.17 3dfs h GLN 179 N 0.00 0.00 -0.12 1.46 1.08 -1.21 -3.07 115.11 113.25 3dfs h GLN 179 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dfs h GLN 179 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3dfs h GLN 179 CO 0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 3dfs n ASN 180 N -2.39 3.04 -0.71 1.46 3.02 0.18 -4.97 115.26 114.88 3dfs n ASN 180 Ca 0.03 -3.05 -0.09 0.00 -0.03 0.00 0.00 54.58 51.43 3dfs n ASN 180 Cb 0.29 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.02 1.09 3.49 7.41 0.00 -1.11 -4.76 105.19 110.29 3dfs n GLY 181 Ca 0.18 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.33 4.09 -0.24 -0.61 -1.09 -0.68 -4.84 121.20 115.50 3dfs s ILE 182 Ca 0.00 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 57.86 3dfs s ILE 182 Cb 0.00 -2.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3dfs s ILE 182 CO 0.00 0.44 1.14 -0.69 -1.23 0.00 0.00 174.94 174.60 3dfs s VAL 183 N 0.77 4.47 -0.08 2.92 1.01 -0.12 -3.15 120.40 126.22 3dfs s VAL 183 Ca 0.00 1.75 -0.23 0.00 0.00 0.00 0.00 61.98 63.50 3dfs s VAL 183 Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3dfs s VAL 183 CO 0.02 -0.27 0.68 -2.16 0.00 0.00 0.00 175.10 173.37 3dfs s PRO 184 N 3.50 4.42 -0.28 2.72 0.04 -1.26 -1.02 135.00 143.12 3dfs s PRO 184 Ca 0.49 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 3dfs s PRO 184 Cb -0.16 -3.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3dfs s PRO 184 CO 0.12 0.06 0.46 0.42 0.04 0.00 0.00 177.00 178.10 3dfs s ILE 185 N 0.84 5.10 -0.43 0.56 1.01 -0.59 -2.60 121.20 125.10 3dfs s ILE 185 Ca 0.36 0.63 -0.23 0.00 0.00 0.00 0.00 60.65 61.42 3dfs s ILE 185 Cb -0.17 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.51 3dfs s ILE 185 CO 0.17 0.05 0.77 -0.69 0.00 0.00 0.00 174.94 175.24 3dfs s VAL 186 N 2.22 4.69 -0.49 2.92 1.01 -0.44 -3.52 120.40 126.79 3dfs s VAL 186 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.64 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 0.10 -0.65 0.26 -0.70 0.00 0.00 0.00 175.10 174.12 3dfs s GLU 187 N 3.20 2.08 -1.09 2.72 2.12 -1.15 -0.67 118.70 125.91 3dfs s GLU 187 Ca 0.29 -2.25 -0.07 0.00 0.36 0.00 0.00 54.97 53.30 3dfs s GLU 187 Cb -0.12 -3.50 0.28 0.00 0.26 0.00 0.00 34.13 31.05 3dfs s GLU 187 CO 0.21 -1.09 1.15 -0.35 -0.54 0.00 0.00 175.26 174.64 3dfs n PRO 188 N 3.83 3.62 -2.45 4.30 -0.04 -1.24 -1.21 135.00 141.81 3dfs n PRO 188 Ca 0.04 -4.48 -0.42 0.00 -0.04 0.00 0.00 63.50 58.59 3dfs n PRO 188 Cb 0.38 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3dfs n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3dfs s GLU 189 N -1.58 4.35 -0.34 0.54 2.12 -0.75 -4.56 118.70 118.48 3dfs s GLU 189 Ca 0.31 1.69 -0.11 0.00 0.36 0.00 0.00 54.97 57.21 3dfs s GLU 189 Cb -0.07 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 3dfs s GLU 189 CO -0.05 -0.45 0.19 0.42 -0.54 0.00 0.00 175.26 174.83 3dfs s ILE 190 N 2.22 4.81 0.62 -3.70 1.01 -1.26 -0.80 121.20 124.10 3dfs s ILE 190 Ca 0.56 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 3dfs s ILE 190 Cb -0.25 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3dfs s ILE 190 CO 0.22 -0.03 1.20 0.18 0.00 0.00 0.00 174.94 176.50 3dfs n LEU 191 N 5.03 5.22 -0.12 2.97 4.77 -0.19 -4.83 117.00 129.86 3dfs n LEU 191 Ca -0.13 0.84 0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3dfs n LEU 191 Cb 0.49 -1.51 0.50 0.00 -2.33 0.00 0.00 43.42 40.57 3dfs n LEU 191 CO 0.36 -1.22 0.76 -0.81 -1.33 0.00 0.00 177.39 175.15 3dfs n PRO 192 N -1.49 0.54 -1.73 3.23 -0.04 -1.26 -4.54 135.00 129.71 3dfs n PRO 192 Ca 0.14 -0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 3dfs n PRO 192 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.03 3.40 0.00 3.54 8.00 -1.26 -0.89 116.55 128.31 3dfs n ASP 193 Ca 0.12 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.80 3dfs n ASP 193 Cb 0.31 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 3dfs n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfs n GLY 194 N 1.45 1.86 1.31 0.44 0.00 -1.26 -4.63 105.19 104.36 3dfs n GLY 194 Ca 0.07 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.95 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 4.34 -4.74 1.61 5.75 -1.26 -0.57 116.55 121.68 3dfs n ASP 195 Ca 0.00 -2.51 -0.32 0.00 -0.01 0.00 0.00 54.79 51.95 3dfs n ASP 195 Cb 0.00 -0.52 0.10 0.00 -1.03 0.00 0.00 41.12 39.67 3dfs n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dfs s HIS 196 N -1.94 2.28 0.38 2.11 -3.43 -1.26 -4.24 115.29 109.19 3dfs s HIS 196 Ca 0.45 1.62 0.01 0.00 -0.80 0.00 0.00 55.06 56.34 3dfs s HIS 196 Cb 0.30 -3.21 0.07 0.00 -1.43 0.00 0.00 32.58 28.31 3dfs s HIS 196 CO 0.20 -2.14 0.52 -0.40 -2.00 0.00 0.00 174.74 170.92 3dfs n ASP 197 N -3.32 0.83 -0.09 7.38 5.68 -1.26 -0.08 116.55 125.68 3dfs n ASP 197 Ca 0.11 -1.67 -0.09 0.00 -0.50 0.00 0.00 54.79 52.64 3dfs n ASP 197 Cb 0.52 -0.32 -0.02 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.37 -1.39 -2.12 5.85 -1.92 -2.67 115.31 113.43 3dfs h LEU 198 Ca -0.17 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.46 3dfs h LEU 198 Cb 0.67 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3dfs h LEU 198 CO 0.20 0.29 -0.21 0.07 -0.34 0.00 0.00 178.44 178.45 3dfs h LYS 199 N 0.41 0.14 -0.36 1.25 2.10 -1.95 -1.30 116.57 116.86 3dfs h LYS 199 Ca 0.11 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.67 3dfs h LYS 199 Cb -0.01 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.29 3dfs h LYS 199 CO -0.02 0.35 0.01 -0.09 -2.00 0.00 0.00 179.45 177.70 3dfs h ARG 200 N 0.13 0.63 -0.55 0.07 9.65 -1.89 -0.65 114.38 121.77 3dfs h ARG 200 Ca 0.02 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 3dfs h ARG 200 Cb 0.45 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 3dfs h ARG 200 CO 0.03 0.73 0.16 0.00 2.80 0.00 0.00 179.97 183.70 3dfs h GLN 202 N 0.77 0.94 0.08 0.00 4.15 -1.07 0.66 115.11 120.64 3dfs h GLN 202 Ca 0.18 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3dfs h GLN 202 Cb 0.30 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3dfs h GLN 202 CO -0.00 0.69 -0.04 -0.92 -1.93 0.00 0.00 178.83 176.63 3dfs h TYR 203 N 0.94 -0.10 -0.54 3.99 3.20 -0.93 -0.86 116.97 122.68 3dfs h TYR 203 Ca 0.24 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3dfs h TYR 203 Cb 0.00 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3dfs h TYR 203 CO -0.01 -0.00 0.25 0.28 -1.64 0.00 0.00 178.16 177.04 3dfs h VAL 204 N -0.17 1.21 -0.88 1.81 2.07 -1.10 -1.73 116.25 117.45 3dfs h VAL 204 Ca -0.01 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3dfs h VAL 204 Cb 0.14 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3dfs h VAL 204 CO 0.02 0.23 0.51 0.74 0.02 0.00 0.00 177.57 179.09 3dfs h THR 205 N 0.73 1.25 -0.53 2.57 2.02 -0.77 0.75 112.91 118.94 3dfs h THR 205 Ca 0.19 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.75 3dfs h THR 205 Cb 0.13 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 3dfs h THR 205 CO -0.02 0.27 0.23 -0.33 0.37 0.00 0.00 175.52 176.04 3dfs h GLU 206 N 1.23 0.78 -0.48 6.66 5.08 -0.82 -0.72 114.58 126.31 3dfs h GLU 206 Ca 0.31 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3dfs h GLU 206 Cb -0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3dfs h GLU 206 CO -0.05 0.67 -0.20 0.87 -1.00 0.00 0.00 179.01 179.29 3dfs h LYS 207 N 0.71 0.98 -0.15 2.33 1.79 -0.84 -2.24 116.57 119.15 3dfs h LYS 207 Ca 0.18 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 3dfs h LYS 207 Cb 0.17 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3dfs h LYS 207 CO -0.02 1.09 0.00 0.28 -1.08 0.00 0.00 179.45 179.73 3dfs h VAL 208 N 0.83 1.25 -0.26 0.50 2.07 -0.72 -2.72 116.25 117.20 3dfs h VAL 208 Ca 0.11 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 3dfs h VAL 208 Cb 0.78 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 3dfs h VAL 208 CO 0.06 0.24 -0.06 -0.07 0.02 0.00 0.00 177.57 177.77 3dfs h LEU 209 N 0.01 0.38 -0.72 2.57 3.38 -1.12 0.10 115.31 119.92 3dfs h LEU 209 Ca 0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3dfs h LEU 209 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3dfs h LEU 209 CO 0.01 0.49 0.02 0.00 0.09 0.00 0.00 178.44 179.05 3dfs h ALA 210 N 1.56 0.93 -0.38 1.53 0.00 -1.36 -1.31 119.26 120.22 3dfs h ALA 210 Ca 0.08 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 3dfs h ALA 210 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dfs h ALA 210 CO 0.02 0.65 -0.35 0.00 0.00 0.00 0.00 179.25 179.57 3dfs h ALA 211 N 1.08 0.66 -0.11 0.00 0.00 -1.08 -2.02 119.26 117.79 3dfs h ALA 211 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3dfs h ALA 211 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3dfs h ALA 211 CO 0.02 0.67 0.07 0.28 0.00 0.00 0.00 179.25 180.29 3dfs h VAL 212 N 0.74 1.06 0.00 0.00 2.07 -0.65 -1.87 116.25 117.59 3dfs h VAL 212 Ca 0.07 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3dfs h VAL 212 Cb 0.92 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3dfs h VAL 212 CO 0.09 0.05 -0.39 1.88 0.02 0.00 0.00 177.57 179.22 3dfs h TYR 213 N 0.11 0.00 -0.39 1.57 0.05 -1.22 -1.45 116.97 115.65 3dfs h TYR 213 Ca 0.04 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.67 3dfs h TYR 213 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3dfs h TYR 213 CO -0.06 0.39 -0.34 -0.22 -1.05 0.00 0.00 178.16 176.89 3dfs h LYS 214 N 0.00 0.88 -0.44 4.88 1.63 -1.21 -1.87 116.57 120.44 3dfs h LYS 214 Ca -0.00 -0.43 -0.07 0.00 -0.85 0.00 0.00 60.65 59.30 3dfs h LYS 214 Cb 0.89 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 3dfs h LYS 214 CO 0.05 1.08 0.02 0.00 -3.45 0.00 0.00 179.45 177.15 3dfs h ALA 215 N 0.88 0.59 -0.72 5.00 0.00 -1.01 -0.81 119.26 123.18 3dfs h ALA 215 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dfs h ALA 215 Cb 0.91 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3dfs h ALA 215 CO 0.08 0.36 0.38 -0.07 0.00 0.00 0.00 179.25 180.01 3dfs h LEU 216 N 0.61 0.89 -0.26 0.00 3.38 -1.18 -1.20 115.31 117.55 3dfs h LEU 216 Ca 0.13 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dfs h LEU 216 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3dfs h LEU 216 CO 0.02 0.72 0.05 -1.28 0.09 0.00 0.00 178.44 178.04 3dfs h SER 217 N 1.00 0.40 -0.38 -0.43 0.87 -1.06 0.16 113.55 114.11 3dfs h SER 217 Ca 0.25 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3dfs h SER 217 Cb 0.04 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3dfs h SER 217 CO -0.04 0.55 0.25 0.44 -0.53 0.00 0.00 176.83 177.51 3dfs h ASP 218 N 0.24 0.42 -0.49 6.23 3.32 -0.54 -1.48 116.42 124.11 3dfs h ASP 218 Ca 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3dfs h ASP 218 Cb 0.32 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3dfs h ASP 218 CO 0.00 0.30 0.00 1.41 -1.72 0.00 0.00 179.24 179.23 3dfs n HIS 219 N -4.48 0.90 -3.68 4.55 8.25 -0.51 -4.94 115.22 115.30 3dfs n HIS 219 Ca 0.03 -0.39 -0.24 0.00 -0.26 0.00 0.00 57.72 56.85 3dfs n HIS 219 Cb 0.08 -0.10 0.06 0.00 1.12 0.00 0.00 29.99 31.15 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 0.88 -2.50 -2.59 4.41 -0.00 -0.56 -4.89 115.22 109.97 3dfs n HIS 220 Ca 0.18 0.95 -0.41 0.00 -0.00 0.00 0.00 57.72 58.44 3dfs n HIS 220 Cb 0.56 -4.67 -0.04 0.00 -0.00 0.00 0.00 29.99 25.85 3dfs n HIS 220 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3dfs s ILE 221 N -3.36 4.19 -0.80 1.59 -1.09 0.50 -4.91 121.20 117.31 3dfs s ILE 221 Ca 0.45 1.79 -0.24 0.00 -2.23 0.00 0.00 60.65 60.42 3dfs s ILE 221 Cb -0.21 -4.14 0.05 0.00 -1.58 0.00 0.00 42.46 36.58 3dfs s ILE 221 CO 0.77 0.26 1.22 -0.47 -1.23 0.00 0.00 174.94 175.49 3dfs s TYR 222 N 0.12 2.51 0.28 3.97 5.04 -1.26 -4.80 117.35 123.22 3dfs s TYR 222 Ca 0.50 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.67 3dfs s TYR 222 Cb -0.27 -4.53 0.55 0.00 0.35 0.00 0.00 41.96 38.07 3dfs s TYR 222 CO 0.32 -1.89 1.83 -0.07 -1.34 0.00 0.00 175.55 174.41 3dfs h LEU 223 N 12.31 0.92 -2.52 6.97 3.38 -1.93 -0.38 115.31 134.05 3dfs h LEU 223 Ca -0.14 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dfs h LEU 223 Cb 1.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3dfs h LEU 223 CO 1.27 0.49 0.00 -0.33 0.09 0.00 0.00 178.44 179.96 3dfs h GLU 224 N 0.99 0.00 -0.86 1.13 3.07 -1.90 -1.63 114.58 115.37 3dfs h GLU 224 Ca 0.50 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.84 3dfs h GLU 224 Cb 0.50 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.13 3dfs h GLU 224 CO -0.27 0.00 0.48 0.41 -1.40 0.00 0.00 179.01 178.23 3dfs n GLY 225 N -0.83 5.19 3.27 -3.84 0.00 -0.15 -4.37 105.19 104.45 3dfs n GLY 225 Ca -0.02 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.90 0.03 0.09 2.61 -4.23 -0.61 -4.01 115.64 105.61 3dfs s THR 226 Ca 0.57 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3dfs s THR 226 Cb 0.47 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 3dfs s THR 226 CO 0.04 -0.15 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.15 3dfs s LEU 227 N -3.08 2.49 -0.10 4.79 1.43 -1.07 -3.70 118.68 119.43 3dfs s LEU 227 Ca 0.30 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3dfs s LEU 227 Cb 0.05 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.20 3dfs s LEU 227 CO 0.07 -0.45 -0.19 -0.22 0.23 0.00 0.00 176.35 175.79 3dfs s LEU 228 N -2.91 2.36 -0.60 1.79 2.96 -0.43 -1.33 118.68 120.53 3dfs s LEU 228 Ca 0.10 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 3dfs s LEU 228 Cb 0.04 -1.49 0.15 0.00 0.50 0.00 0.00 46.19 45.39 3dfs s LEU 228 CO -0.05 0.19 0.36 -0.75 -1.32 0.00 0.00 176.35 174.78 3dfs s LYS 229 N 0.19 2.22 0.46 1.98 2.20 0.16 0.49 119.74 127.44 3dfs s LYS 229 Ca -0.11 -2.85 0.08 0.00 -0.36 0.00 0.00 55.97 52.73 3dfs s LYS 229 Cb -0.16 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3dfs s LYS 229 CO 0.06 -1.17 0.50 -1.25 -0.36 0.00 0.00 175.35 173.14 3dfs s PRO 230 N -0.64 2.53 0.47 4.03 0.04 -1.26 -3.65 135.00 136.52 3dfs s PRO 230 Ca 0.20 -1.55 -0.16 0.00 0.04 0.00 0.00 61.00 59.52 3dfs s PRO 230 Cb -0.19 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.78 3dfs s PRO 230 CO -0.05 -0.39 0.93 0.54 0.04 0.00 0.00 177.00 178.07 3dfs s ASN 231 N -4.30 6.68 0.67 6.66 4.22 -1.26 -2.57 114.94 125.04 3dfs s ASN 231 Ca 0.50 1.51 -0.11 0.00 -2.14 0.00 0.00 52.86 52.63 3dfs s ASN 231 Cb -0.05 -2.48 -0.01 0.00 1.28 0.00 0.00 41.25 39.99 3dfs s ASN 231 CO 0.30 -0.49 1.06 -0.04 -2.04 0.00 0.00 177.10 175.89 3dfs s MET 232 N -3.80 3.16 -0.42 3.55 -1.94 -1.26 -4.96 119.30 113.64 3dfs s MET 232 Ca 0.58 0.76 -0.23 0.00 -1.71 0.00 0.00 55.69 55.09 3dfs s MET 232 Cb -0.10 -2.03 0.02 0.00 2.01 0.00 0.00 34.83 34.73 3dfs s MET 232 CO 0.27 -0.89 0.78 0.08 -0.01 0.00 0.00 175.02 175.25 3dfs s VAL 233 N -3.17 4.69 0.14 -6.03 1.01 -1.26 -5.01 120.40 110.77 3dfs s VAL 233 Ca 0.57 0.58 0.00 0.00 0.00 0.00 0.00 61.98 63.13 3dfs s VAL 233 Cb -0.12 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 3dfs s VAL 233 CO 0.54 -0.61 0.03 0.42 0.00 0.00 0.00 175.10 175.48 3dfs s THR 234 N 3.21 0.33 0.88 3.92 -4.23 -1.26 -4.51 115.64 113.97 3dfs s THR 234 Ca 0.30 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 3dfs s THR 234 Cb -0.13 -2.03 0.12 0.00 1.34 0.00 0.00 72.50 71.80 3dfs s THR 234 CO 0.21 -0.51 1.10 -2.16 -0.54 0.00 0.00 174.62 172.72 3dfs s PRO 235 N -3.99 1.39 0.81 3.99 0.04 -1.26 -4.61 135.00 131.37 3dfs s PRO 235 Ca 0.23 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 3dfs s PRO 235 Cb 0.07 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.86 3dfs s PRO 235 CO 0.02 -2.10 1.12 0.20 0.04 0.00 0.00 177.00 176.27 3dfs s GLY 236 N -3.66 1.73 0.37 0.56 0.00 0.88 -4.92 107.32 102.28 3dfs s GLY 236 Ca 0.63 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.80 3dfs s GLY 236 CO 0.56 0.79 2.02 0.45 0.00 0.00 0.00 173.10 176.91 3dfs h HIS 237 N -1.30 0.70 -0.47 1.90 3.86 -0.56 -2.22 115.15 117.06 3dfs h HIS 237 Ca -0.44 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3dfs h HIS 237 Cb 1.25 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.48 3dfs h HIS 237 CO 0.55 0.45 0.00 0.00 0.86 0.00 0.00 177.93 179.79 3dfs n ALA 238 N -2.45 2.59 -2.14 2.45 0.00 0.26 -4.94 120.51 116.28 3dfs n ALA 238 Ca 0.05 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 3dfs n ALA 238 Cb 0.06 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 4.26 1.46 -3.85 0.00 1.35 -1.90 -3.45 112.91 110.77 3dfs h THR 240 Ca -0.42 -2.36 -0.50 0.00 -0.55 0.00 0.00 66.41 62.58 3dfs h THR 240 Cb 1.21 2.27 0.02 0.00 -1.73 0.00 0.00 68.15 69.92 3dfs h THR 240 CO 0.87 0.69 0.45 -1.58 -0.25 0.00 0.00 175.52 175.70 3dfs s GLN 241 N -3.44 4.49 0.10 4.72 0.74 -1.26 -5.05 119.66 119.97 3dfs s GLN 241 Ca -0.03 1.71 0.02 0.00 0.05 0.00 0.00 55.36 57.11 3dfs s GLN 241 Cb 0.11 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 3dfs s GLN 241 CO 0.81 0.10 0.18 0.15 -0.55 0.00 0.00 175.29 175.97 3dfs s LYS 242 N -1.77 3.18 0.05 1.67 -0.14 -1.26 -5.02 119.74 116.45 3dfs s LYS 242 Ca 0.49 -0.62 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 3dfs s LYS 242 Cb -0.29 -2.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 3dfs s LYS 242 CO 0.37 0.55 -0.06 0.71 -0.76 0.00 0.00 175.35 176.16 3dfs s TYR 243 N -1.57 0.66 0.68 3.18 2.02 -1.26 -5.14 117.35 115.92 3dfs s TYR 243 Ca 0.33 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3dfs s TYR 243 Cb -0.12 -0.40 0.07 0.00 -0.40 0.00 0.00 41.96 41.11 3dfs s TYR 243 CO 0.26 -0.14 0.97 -1.54 -1.57 0.00 0.00 175.55 173.52 3dfs s SER 244 N -2.08 4.76 0.30 2.29 1.04 -1.26 -4.96 113.70 113.79 3dfs s SER 244 Ca -0.03 0.22 0.08 0.00 0.48 0.00 0.00 55.95 56.70 3dfs s SER 244 Cb -0.04 -0.85 0.46 0.00 0.10 0.00 0.00 66.02 65.68 3dfs s SER 244 CO -0.02 -1.59 1.69 0.45 0.98 0.00 0.00 173.24 174.74 3dfs h HIS 245 N -0.49 0.16 -0.37 5.02 3.86 -1.99 -2.54 115.15 118.79 3dfs h HIS 245 Ca -0.43 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 58.65 3dfs h HIS 245 Cb 1.30 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 3dfs h HIS 245 CO 0.18 0.59 -0.13 0.93 0.86 0.00 0.00 177.93 180.36 3dfs h GLU 246 N 0.11 0.66 -0.11 2.45 3.07 -1.94 -1.12 114.58 117.70 3dfs h GLU 246 Ca 0.00 -0.21 -0.20 0.00 -0.50 0.00 0.00 59.36 58.45 3dfs h GLU 246 Cb 0.89 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3dfs h GLU 246 CO 0.07 0.76 -0.75 0.93 -1.40 0.00 0.00 179.01 178.62 3dfs h GLU 247 N 0.60 0.57 -0.48 2.33 5.08 -1.88 -1.19 114.58 119.61 3dfs h GLU 247 Ca 0.10 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 3dfs h GLU 247 Cb 0.56 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3dfs h GLU 247 CO 0.04 1.09 -0.07 0.82 -1.00 0.00 0.00 179.01 179.88 3dfs h ILE 248 N 0.39 1.26 -0.25 3.13 2.04 -1.27 -0.97 117.51 121.84 3dfs h ILE 248 Ca -0.04 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 3dfs h ILE 248 Cb 1.35 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3dfs h ILE 248 CO 0.14 0.40 -0.16 0.00 0.00 0.00 0.00 178.15 178.52 3dfs h ALA 249 N 1.15 0.35 -0.47 1.87 0.00 -1.13 -1.33 119.26 119.70 3dfs h ALA 249 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3dfs h ALA 249 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3dfs h ALA 249 CO 0.03 0.25 0.23 1.98 0.00 0.00 0.00 179.25 181.74 3dfs h MET 250 N 0.26 0.68 -0.51 0.00 1.85 -1.05 0.68 114.93 116.83 3dfs h MET 250 Ca 0.05 -0.10 -0.05 0.00 -0.61 0.00 0.00 59.70 58.99 3dfs h MET 250 Cb 0.69 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.58 3dfs h MET 250 CO 0.04 0.58 0.14 0.00 -0.40 0.00 0.00 176.91 177.27 3dfs h ALA 251 N 1.07 0.68 0.23 0.39 0.00 -1.16 -0.60 119.26 119.86 3dfs h ALA 251 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dfs h ALA 251 Cb 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dfs h ALA 251 CO -0.02 0.36 -0.11 1.15 0.00 0.00 0.00 179.25 180.63 3dfs h THR 252 N 0.71 0.83 -0.31 0.00 2.02 -0.99 -1.09 112.91 114.08 3dfs h THR 252 Ca 0.16 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 3dfs h THR 252 Cb 0.31 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3dfs h THR 252 CO -0.00 0.07 -0.12 0.58 0.37 0.00 0.00 175.52 176.42 3dfs h VAL 253 N -0.47 1.23 -0.10 3.16 2.07 -0.87 -2.01 116.25 119.28 3dfs h VAL 253 Ca -0.03 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3dfs h VAL 253 Cb 0.35 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3dfs h VAL 253 CO 0.05 0.34 0.00 0.74 0.02 0.00 0.00 177.57 178.72 3dfs h THR 254 N 0.49 1.25 -0.62 2.57 2.02 -1.05 -0.76 112.91 116.81 3dfs h THR 254 Ca 0.09 -0.79 0.08 0.00 0.77 0.00 0.00 66.41 66.55 3dfs h THR 254 Cb 0.50 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.43 3dfs h THR 254 CO 0.03 0.23 0.29 0.00 0.37 0.00 0.00 175.52 176.44 3dfs h ALA 255 N 0.74 0.82 -0.35 6.16 0.00 -0.98 -2.14 119.26 123.51 3dfs h ALA 255 Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3dfs h ALA 255 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dfs h ALA 255 CO 0.00 -0.09 -0.13 -0.07 0.00 0.00 0.00 179.25 178.97 3dfs h LEU 256 N 0.53 0.71 -2.03 0.00 3.38 -1.27 -3.03 115.31 113.61 3dfs h LEU 256 Ca 0.30 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dfs h LEU 256 Cb 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dfs h LEU 256 CO -0.24 0.94 0.03 0.03 0.09 0.00 0.00 178.44 179.29 3dfs h ARG 257 N 0.49 0.00 -0.00 1.13 3.08 -0.76 0.15 114.38 118.46 3dfs h ARG 257 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3dfs h ARG 257 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3dfs h ARG 257 CO 0.04 0.00 -0.20 0.54 -1.07 0.00 0.00 179.97 179.28 3dfs n ARG 258 N -4.48 0.33 0.00 0.04 1.74 -0.84 -4.57 116.66 108.88 3dfs n ARG 258 Ca -0.02 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3dfs n ARG 258 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.22 0.00 -2.98 0.55 -2.24 -0.68 -5.00 114.28 102.71 3dfs n THR 259 Ca 0.10 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3dfs n THR 259 Cb 0.31 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.27 4.72 0.43 2.28 1.01 0.43 -4.78 120.40 123.22 3dfs s VAL 260 Ca 0.00 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.38 3dfs s VAL 260 Cb 0.00 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 3dfs s VAL 260 CO 0.00 -0.54 1.26 -2.65 0.00 0.00 0.00 175.10 173.17 3dfs n PRO 261 N 6.49 1.86 0.28 2.72 -0.02 -1.26 -4.84 135.00 140.23 3dfs n PRO 261 Ca 0.02 0.67 0.19 0.00 -2.02 0.00 0.00 63.50 62.35 3dfs n PRO 261 Cb 0.48 -2.37 0.97 0.00 -0.02 0.00 0.00 33.50 32.56 3dfs n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dfs h PRO 262 N 1.99 0.00 0.00 0.52 0.13 -1.96 -1.41 132.00 131.27 3dfs h PRO 262 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3dfs h PRO 262 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 3dfs h PRO 262 CO 0.59 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.26 3dfs h ALA 263 N 2.01 1.16 -2.44 -0.56 0.00 -1.91 -3.42 119.26 114.10 3dfs h ALA 263 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 3dfs h ALA 263 Cb 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dfs h ALA 263 CO 0.00 0.12 1.04 0.08 0.00 0.00 0.00 179.25 180.49 3dfs s VAL 264 N -4.02 2.97 0.19 0.00 1.01 -0.53 -3.35 120.40 116.67 3dfs s VAL 264 Ca -0.02 0.39 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 3dfs s VAL 264 Cb 0.12 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.35 3dfs s VAL 264 CO 0.56 -0.01 1.77 0.74 0.00 0.00 0.00 175.10 178.17 3dfs h THR 265 N 4.88 1.22 -2.47 3.92 2.02 -1.69 -3.44 112.91 117.36 3dfs h THR 265 Ca -0.43 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.14 3dfs h THR 265 Cb 1.20 0.42 -0.15 0.00 -1.74 0.00 0.00 68.15 67.89 3dfs h THR 265 CO 0.94 0.26 0.32 -0.83 0.37 0.00 0.00 175.52 176.57 3dfs s GLY 266 N -3.09 -0.54 -0.19 2.16 0.00 -1.26 -3.32 107.32 101.09 3dfs s GLY 266 Ca -0.13 0.94 -0.02 0.00 0.00 0.00 0.00 44.72 45.52 3dfs s GLY 266 CO 0.79 0.44 -0.11 0.14 0.00 0.00 0.00 173.10 174.37 3dfs s VAL 267 N -2.84 2.89 -0.41 1.40 1.01 0.54 -1.32 120.40 121.67 3dfs s VAL 267 Ca -0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3dfs s VAL 267 Cb -0.01 -2.27 0.11 0.00 0.00 0.00 0.00 36.38 34.22 3dfs s VAL 267 CO -0.06 0.48 0.16 0.42 0.00 0.00 0.00 175.10 176.09 3dfs s THR 268 N 1.18 2.76 0.42 3.92 -4.23 0.18 -1.20 115.64 118.68 3dfs s THR 268 Ca 0.02 -2.42 -0.26 0.00 -1.18 0.00 0.00 61.69 57.85 3dfs s THR 268 Cb -0.14 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 3dfs s THR 268 CO -0.04 -0.68 1.35 -0.36 -0.54 0.00 0.00 174.62 174.35 3dfs s PHE 269 N 0.76 2.69 0.28 3.99 0.08 -0.65 -4.08 117.98 121.05 3dfs s PHE 269 Ca 0.11 1.36 -0.08 0.00 0.12 0.00 0.00 56.93 58.44 3dfs s PHE 269 Cb -0.21 -3.76 -0.06 0.00 -0.57 0.00 0.00 43.02 38.42 3dfs s PHE 269 CO -0.05 -2.39 0.58 -0.48 -0.10 0.00 0.00 175.22 172.78 3dfs s LEU 270 N -2.54 4.07 0.29 -0.37 0.05 -1.06 -0.92 118.68 118.20 3dfs s LEU 270 Ca 0.58 0.86 0.16 0.00 0.05 0.00 0.00 54.13 55.78 3dfs s LEU 270 Cb -0.40 -3.66 0.13 0.00 -2.05 0.00 0.00 46.19 40.21 3dfs s LEU 270 CO 0.51 -0.17 1.48 0.77 -0.55 0.00 0.00 176.35 178.39 3dfs h SER 271 N 1.98 0.00 -2.25 1.48 4.64 -1.92 -3.41 113.55 114.07 3dfs h SER 271 Ca -0.47 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.61 3dfs h SER 271 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3dfs h SER 271 CO 0.67 0.47 -0.25 0.61 -0.87 0.00 0.00 176.83 177.46 3dfs n GLY 272 N 1.15 0.59 0.00 -0.77 0.00 -1.26 -1.70 105.19 103.20 3dfs n GLY 272 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.41 0.58 3.77 -0.02 0.00 -1.26 -4.83 105.19 103.01 3dfs n GLY 273 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.65 2.79 0.90 1.61 -0.21 -0.69 -5.00 119.66 118.42 3dfs s GLN 274 Ca 0.00 1.44 -0.11 0.00 0.02 0.00 0.00 55.36 56.70 3dfs s GLN 274 Cb 0.00 -1.95 0.13 0.00 1.00 0.00 0.00 33.01 32.20 3dfs s GLN 274 CO 0.00 -1.27 1.09 -1.54 -2.12 0.00 0.00 175.29 171.46 3dfs s SER 275 N -2.48 3.38 0.15 5.90 1.04 -1.26 -4.67 113.70 115.77 3dfs s SER 275 Ca 0.68 1.61 -0.16 0.00 0.48 0.00 0.00 55.95 58.56 3dfs s SER 275 Cb -0.21 -2.28 0.05 0.00 0.10 0.00 0.00 66.02 63.68 3dfs s SER 275 CO 0.41 -2.72 1.76 -0.33 0.98 0.00 0.00 173.24 173.34 3dfs h GLU 276 N -1.60 0.29 -0.59 4.02 5.08 -1.88 -0.42 114.58 119.48 3dfs h GLU 276 Ca -0.49 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3dfs h GLU 276 Cb 1.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3dfs h GLU 276 CO 0.52 0.19 -0.01 1.49 -1.00 0.00 0.00 179.01 180.21 3dfs h GLU 277 N 0.30 1.06 -0.44 2.33 4.57 -1.91 -2.44 114.58 118.05 3dfs h GLU 277 Ca 0.16 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 3dfs h GLU 277 Cb 0.12 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3dfs h GLU 277 CO -0.15 1.04 0.09 1.49 -1.18 0.00 0.00 179.01 180.30 3dfs h GLU 278 N 0.95 0.71 -0.48 1.92 4.81 -1.84 -0.78 114.58 119.88 3dfs h GLU 278 Ca 0.17 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3dfs h GLU 278 Cb 0.57 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3dfs h GLU 278 CO 0.03 0.73 0.19 0.00 -0.73 0.00 0.00 179.01 179.23 3dfs h ALA 279 N 0.95 1.43 -0.07 2.92 0.00 -0.99 0.07 119.26 123.57 3dfs h ALA 279 Ca 0.13 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3dfs h ALA 279 Cb 0.35 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dfs h ALA 279 CO 0.01 0.43 -0.47 0.77 0.00 0.00 0.00 179.25 179.99 3dfs h SER 280 N 0.68 0.54 -0.56 0.00 0.02 -1.21 -2.06 113.55 110.97 3dfs h SER 280 Ca 0.17 -0.67 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 3dfs h SER 280 Cb 0.14 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3dfs h SER 280 CO -0.02 1.13 0.23 0.40 -1.14 0.00 0.00 176.83 177.43 3dfs h ILE 281 N 0.00 1.22 -0.44 3.27 2.04 -0.95 -0.55 117.51 122.10 3dfs h ILE 281 Ca -0.04 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 3dfs h ILE 281 Cb 1.13 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3dfs h ILE 281 CO 0.10 0.26 -0.10 0.78 0.00 0.00 0.00 178.15 179.19 3dfs h ASN 282 N 0.76 0.76 -0.52 1.72 2.35 -1.04 -0.86 115.58 118.76 3dfs h ASN 282 Ca 0.19 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3dfs h ASN 282 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 3dfs h ASN 282 CO -0.02 0.89 -0.05 0.25 -1.65 0.00 0.00 177.43 176.85 3dfs h LEU 283 N 0.70 0.95 -0.58 1.61 5.85 -1.07 -0.59 115.31 122.18 3dfs h LEU 283 Ca 0.12 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 3dfs h LEU 283 Cb 0.58 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3dfs h LEU 283 CO 0.04 1.05 0.20 -1.13 -0.34 0.00 0.00 178.44 178.26 3dfs h ASN 284 N 0.82 0.83 -0.72 1.25 -1.24 -0.88 -2.00 115.58 113.65 3dfs h ASN 284 Ca 0.14 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.91 3dfs h ASN 284 Cb 0.60 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 3dfs h ASN 284 CO 0.04 0.80 0.27 0.00 -1.29 0.00 0.00 177.43 177.25 3dfs h ALA 285 N 1.06 0.93 -0.85 1.57 0.00 -0.95 -1.35 119.26 119.68 3dfs h ALA 285 Ca 0.19 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3dfs h ALA 285 Cb 0.25 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3dfs h ALA 285 CO -0.01 0.56 0.54 0.82 0.00 0.00 0.00 179.25 181.17 3dfs h ILE 286 N 1.03 1.11 0.00 0.00 2.04 -0.83 -0.56 117.51 120.31 3dfs h ILE 286 Ca 0.24 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3dfs h ILE 286 Cb 0.23 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3dfs h ILE 286 CO -0.02 0.19 -0.10 0.78 0.00 0.00 0.00 178.15 179.01 3dfs h ASN 287 N 1.04 0.00 0.49 1.72 2.35 -0.77 -2.96 115.58 117.45 3dfs h ASN 287 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3dfs h ASN 287 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3dfs h ASN 287 CO -0.13 0.10 -0.74 0.29 -1.65 0.00 0.00 177.43 175.30 3dfs n LYS 288 N -3.19 0.14 -1.66 0.81 5.02 -0.56 -4.76 118.16 113.96 3dfs n LYS 288 Ca 0.01 0.01 -0.52 0.00 -2.02 0.00 0.00 58.31 55.79 3dfs n LYS 288 Cb 0.42 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 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 4.20 1.19 -4.09 0.00 -0.04 -1.26 -4.79 135.00 130.21 3dfs n PRO 290 Ca 0.21 -0.67 -0.10 0.00 -0.04 0.00 0.00 63.50 62.91 3dfs n PRO 290 Cb 0.20 -1.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.68 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 0.02 2.40 0.06 1.53 1.43 -1.26 -5.12 118.68 117.73 3dfs s LEU 291 Ca 0.35 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 3dfs s LEU 291 Cb 0.15 0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.34 3dfs s LEU 291 CO -0.01 -0.43 1.30 -0.22 0.23 0.00 0.00 176.35 177.23 3dfs s LEU 292 N -2.42 4.35 -0.33 1.79 2.96 -1.26 -5.00 118.68 118.77 3dfs s LEU 292 Ca 0.01 2.11 0.01 0.00 -0.22 0.00 0.00 54.13 56.05 3dfs s LEU 292 Cb 0.00 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.22 3dfs s LEU 292 CO -0.05 -0.58 0.09 -0.54 -1.32 0.00 0.00 176.35 173.95 3dfs s LYS 293 N 1.42 1.05 0.00 1.98 1.02 -1.26 -4.97 119.74 118.98 3dfs s LYS 293 Ca 0.61 -1.46 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3dfs s LYS 293 Cb -0.32 -2.47 0.43 0.00 -0.52 0.00 0.00 37.83 34.95 3dfs s LYS 293 CO 0.28 -0.99 0.96 -0.35 -0.92 0.00 0.00 175.35 174.33 3dfs n PRO 294 N 4.51 0.60 -4.15 -1.68 -0.04 -1.26 -4.78 135.00 128.20 3dfs n PRO 294 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 3dfs n PRO 294 Cb 0.41 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.81 0.30 0.54 0.51 -1.26 -4.91 118.94 112.93 3dfs s TRP 295 Ca 0.11 -0.89 -0.29 0.00 -2.12 0.00 0.00 56.10 52.91 3dfs s TRP 295 Cb 0.05 -0.48 -0.10 0.00 -0.81 0.00 0.00 33.47 32.13 3dfs s TRP 295 CO 0.08 -0.17 1.35 0.00 -0.51 0.00 0.00 176.95 177.70 3dfs s ALA 296 N -3.39 3.54 -0.42 0.98 0.00 -1.21 -4.85 121.76 116.41 3dfs s ALA 296 Ca 0.08 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.36 3dfs s ALA 296 Cb 0.04 -3.51 0.11 0.00 0.00 0.00 0.00 23.12 19.77 3dfs s ALA 296 CO -0.05 -0.68 0.15 -0.51 0.00 0.00 0.00 175.76 174.67 3dfs s LEU 297 N -1.32 4.62 0.00 0.00 1.43 -1.26 -0.34 118.68 121.81 3dfs s LEU 297 Ca 0.52 -2.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.11 3dfs s LEU 297 Cb -0.40 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.17 3dfs s LEU 297 CO 0.50 -0.33 0.00 1.07 0.23 0.00 0.00 176.35 177.82 3dfs n THR 298 N 3.79 0.00 -4.42 5.49 5.66 -0.34 -4.63 114.28 119.84 3dfs n THR 298 Ca 0.04 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.80 3dfs n THR 298 Cb 0.38 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.05 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 0.91 2.15 -0.41 1.09 -0.71 -1.26 -1.63 117.98 118.11 3dfs s PHE 299 Ca 0.00 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 55.57 3dfs s PHE 299 Cb 0.00 -1.01 0.23 0.00 -1.21 0.00 0.00 43.02 41.03 3dfs s PHE 299 CO 0.00 0.54 0.54 0.45 -1.34 0.00 0.00 175.22 175.41 3dfs n SER 300 N -0.14 -0.55 -4.83 1.98 2.88 -0.10 0.47 113.62 113.33 3dfs n SER 300 Ca -0.09 -2.71 -0.37 0.00 -1.33 0.00 0.00 58.87 54.37 3dfs n SER 300 Cb 0.58 -0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 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 -0.56 3.63 0.00 0.66 2.02 -0.91 -4.24 117.35 117.95 3dfs s TYR 301 Ca 0.34 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.80 3dfs s TYR 301 Cb 0.14 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3dfs s TYR 301 CO -0.15 0.59 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 3dfs n GLY 302 N 2.19 -0.20 0.35 0.71 0.00 -1.26 -0.75 105.19 106.24 3dfs n GLY 302 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.97 0.00 1.61 3.08 -1.95 -2.03 114.38 116.06 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 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 3dfs h ARG 303 CO 0.00 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 3dfs n ALA 304 N -2.42 1.57 0.09 0.04 0.00 -1.26 -1.36 120.51 117.16 3dfs n ALA 304 Ca 0.08 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.51 3dfs n ALA 304 Cb 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.43 0.09 -0.00 0.00 4.77 -0.82 -4.64 117.00 114.97 3dfs n LEU 305 Ca 0.04 -0.16 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 3dfs n LEU 305 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3dfs n LEU 305 CO 0.10 0.02 -0.33 0.00 -1.33 0.00 0.00 177.39 175.85 3dfs n GLN 306 N -1.53 2.03 -0.13 3.23 6.02 -0.88 -4.59 117.38 121.54 3dfs n GLN 306 Ca -0.00 -0.05 -0.05 0.00 -0.01 0.00 0.00 57.00 56.89 3dfs n GLN 306 Cb 0.14 -1.09 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 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 1.07 -0.36 -0.40 -1.58 0.00 -1.48 0.33 119.26 116.84 3dfs h ALA 307 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3dfs h ALA 307 Cb 0.33 1.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3dfs h ALA 307 CO 0.00 -0.52 -0.13 0.77 0.00 0.00 0.00 179.25 179.38 3dfs h SER 308 N -0.08 0.72 -0.25 0.00 0.02 -1.87 -2.72 113.55 109.37 3dfs h SER 308 Ca 0.05 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3dfs h SER 308 Cb 0.22 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3dfs h SER 308 CO -0.35 0.86 0.16 0.00 -1.14 0.00 0.00 176.83 176.36 3dfs h ALA 309 N 1.20 0.32 -0.34 3.77 0.00 -1.67 0.11 119.26 122.64 3dfs h ALA 309 Ca 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3dfs h ALA 309 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3dfs h ALA 309 CO 0.04 -0.19 0.19 1.25 0.00 0.00 0.00 179.25 180.54 3dfs h LEU 310 N 0.32 0.30 -0.43 0.00 5.85 -0.87 -0.86 115.31 119.61 3dfs h LEU 310 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3dfs h LEU 310 Cb -0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3dfs h LEU 310 CO -0.02 0.22 0.16 0.50 -0.34 0.00 0.00 178.44 178.96 3dfs h LYS 311 N 0.39 0.65 -0.40 1.25 3.64 -1.20 -2.05 116.57 118.84 3dfs h LYS 311 Ca 0.14 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 3dfs h LYS 311 Cb 0.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3dfs h LYS 311 CO -0.08 0.61 0.02 0.00 -2.27 0.00 0.00 179.45 177.73 3dfs h ALA 312 N 1.01 1.29 0.37 5.00 0.00 -0.55 -3.11 119.26 123.26 3dfs h ALA 312 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3dfs h ALA 312 Cb 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dfs h ALA 312 CO -0.01 0.48 -0.18 2.35 0.00 0.00 0.00 179.25 181.90 3dfs h TRP 313 N 0.60 -0.46 0.00 0.00 7.01 -0.94 -3.42 115.95 118.74 3dfs h TRP 313 Ca 0.13 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3dfs h TRP 313 Cb 0.35 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.56 3dfs h TRP 313 CO 0.01 -0.14 0.00 0.41 -2.79 0.00 0.00 178.44 175.94 3dfs n GLY 314 N -0.43 0.06 1.65 2.65 0.00 -0.79 -1.57 105.19 106.77 3dfs n GLY 314 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.31 0.58 3.52 -0.02 0.00 -1.26 -4.81 105.19 103.51 3dfs n GLY 315 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 3.74 0.44 1.61 1.02 -0.61 -5.00 119.74 120.63 3dfs s LYS 316 Ca 0.00 -0.47 0.11 0.00 0.02 0.00 0.00 55.97 55.63 3dfs s LYS 316 Cb 0.00 -3.06 0.99 0.00 -0.52 0.00 0.00 37.83 35.24 3dfs s LYS 316 CO 0.00 0.17 2.04 -0.22 -0.92 0.00 0.00 175.35 176.42 3dfs h LYS 317 N 6.97 0.40 0.00 1.68 3.11 -1.96 -1.55 116.57 125.22 3dfs h LYS 317 Ca -0.34 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 3dfs h LYS 317 Cb 1.18 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 3dfs h LYS 317 CO 0.64 0.27 0.00 0.93 -2.81 0.00 0.00 179.45 178.48 3dfs h GLU 318 N 0.41 0.00 -0.39 1.90 3.07 -1.94 -2.36 114.58 115.28 3dfs h GLU 318 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3dfs h GLU 318 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 3dfs h GLU 318 CO -0.04 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.66 3dfs n ASN 319 N -2.84 2.38 0.02 1.42 3.02 -0.58 -4.55 115.26 114.13 3dfs n ASN 319 Ca -0.00 -1.93 -0.15 0.00 -0.03 0.00 0.00 54.58 52.47 3dfs n ASN 319 Cb 0.21 -0.25 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 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 2.77 -1.62 -0.44 3.41 5.85 -1.53 0.82 115.31 124.58 3dfs h LEU 320 Ca 0.00 0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.93 3dfs h LEU 320 Cb 0.63 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3dfs h LEU 320 CO 0.00 -0.49 0.26 0.11 -0.34 0.00 0.00 178.44 177.97 3dfs h LYS 321 N -0.61 0.50 -0.88 1.25 1.79 -1.85 0.08 116.57 116.85 3dfs h LYS 321 Ca 0.03 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3dfs h LYS 321 Cb 0.69 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.18 3dfs h LYS 321 CO -0.39 0.33 0.57 0.00 -1.08 0.00 0.00 179.45 178.88 3dfs h ALA 322 N 1.20 1.17 -0.19 3.86 0.00 -1.79 -0.69 119.26 122.81 3dfs h ALA 322 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dfs h ALA 322 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dfs h ALA 322 CO -0.08 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.51 3dfs h ALA 323 N 1.37 0.27 -0.29 0.00 0.00 -0.33 -2.85 119.26 117.42 3dfs h ALA 323 Ca 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3dfs h ALA 323 Cb 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dfs h ALA 323 CO -0.12 0.06 0.10 1.96 0.00 0.00 0.00 179.25 181.25 3dfs h GLN 324 N 0.09 0.41 -0.56 0.00 4.20 -0.64 -2.07 115.11 116.55 3dfs h GLN 324 Ca 0.05 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3dfs h GLN 324 Cb 0.52 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3dfs h GLN 324 CO 0.02 0.36 0.08 1.49 -0.67 0.00 0.00 178.83 180.12 3dfs h GLU 325 N 0.41 0.89 -0.57 1.46 4.57 -1.01 -0.40 114.58 119.94 3dfs h GLU 325 Ca 0.10 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3dfs h GLU 325 Cb 0.12 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3dfs h GLU 325 CO -0.01 0.84 0.03 0.93 -1.18 0.00 0.00 179.01 179.62 3dfs h GLU 326 N 0.85 0.98 -0.18 1.92 4.39 -1.15 -1.75 114.58 119.64 3dfs h GLU 326 Ca 0.17 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 3dfs h GLU 326 Cb 0.39 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3dfs h GLU 326 CO 0.01 0.97 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.88 3dfs h TYR 327 N 0.87 0.38 -0.93 4.33 3.20 -1.21 -2.86 116.97 120.76 3dfs h TYR 327 Ca 0.17 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 62.02 3dfs h TYR 327 Cb 0.50 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3dfs h TYR 327 CO 0.04 0.59 0.60 0.28 -1.64 0.00 0.00 178.16 178.03 3dfs h VAL 328 N 0.07 1.09 -0.76 1.81 2.07 -1.00 -0.70 116.25 118.83 3dfs h VAL 328 Ca 0.05 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 3dfs h VAL 328 Cb 0.46 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3dfs h VAL 328 CO 0.02 0.20 0.28 0.11 0.02 0.00 0.00 177.57 178.19 3dfs h LYS 329 N 1.08 1.14 -0.02 1.57 1.57 -1.22 -1.19 116.57 119.50 3dfs h LYS 329 Ca 0.39 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 3dfs h LYS 329 Cb 0.16 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3dfs h LYS 329 CO -0.14 0.93 -0.70 0.00 -0.57 0.00 0.00 179.45 178.97 3dfs h ARG 330 N 1.10 0.09 -0.43 3.15 2.47 -1.11 -2.21 114.38 117.44 3dfs h ARG 330 Ca 0.25 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.81 3dfs h ARG 330 Cb 0.24 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 3dfs h ARG 330 CO -0.02 0.75 -0.08 0.00 0.56 0.00 0.00 179.97 181.18 3dfs h ALA 331 N 1.23 0.59 -0.41 0.04 0.00 -0.73 -1.35 119.26 118.64 3dfs h ALA 331 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 3dfs h ALA 331 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dfs h ALA 331 CO 0.10 0.46 0.01 -0.07 0.00 0.00 0.00 179.25 179.75 3dfs h LEU 332 N 0.65 0.69 -0.45 0.00 3.38 -1.19 -0.85 115.31 117.54 3dfs h LEU 332 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3dfs h LEU 332 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3dfs h LEU 332 CO 0.04 0.82 0.23 0.00 0.09 0.00 0.00 178.44 179.62 3dfs h ALA 333 N 0.90 0.58 0.00 1.53 0.00 -1.32 -1.91 119.26 119.03 3dfs h ALA 333 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3dfs h ALA 333 Cb 0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3dfs h ALA 333 CO 0.02 0.11 -0.40 -0.91 0.00 0.00 0.00 179.25 178.07 3dfs h ASN 334 N 0.59 0.00 -0.51 0.00 2.35 -1.20 -1.01 115.58 115.80 3dfs h ASN 334 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3dfs h ASN 334 Cb 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3dfs h ASN 334 CO -0.02 0.40 -0.04 -1.28 -1.65 0.00 0.00 177.43 174.83 3dfs h SER 335 N 0.00 0.92 -0.33 5.81 0.87 -0.76 -1.22 113.55 118.83 3dfs h SER 335 Ca -0.00 -0.33 -0.16 0.00 -1.23 0.00 0.00 61.79 60.07 3dfs h SER 335 Cb 0.96 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3dfs h SER 335 CO 0.05 1.02 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.91 3dfs h LEU 336 N 0.79 0.94 -0.64 2.23 3.38 -1.13 -3.25 115.31 117.63 3dfs h LEU 336 Ca 0.14 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3dfs h LEU 336 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dfs h LEU 336 CO 0.03 1.22 0.35 0.00 0.09 0.00 0.00 178.44 180.13 3dfs h ALA 337 N 0.82 0.82 0.00 1.53 0.00 -0.91 0.11 119.26 121.64 3dfs h ALA 337 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dfs h ALA 337 Cb 0.98 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dfs h ALA 337 CO 0.09 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3dfs n GLN 339 N -0.59 -0.03 -1.57 0.00 6.02 -0.51 -4.63 117.38 116.07 3dfs n GLN 339 Ca 0.02 -0.32 -0.12 0.00 -0.01 0.00 0.00 57.00 56.58 3dfs n GLN 339 Cb 0.01 -0.80 -0.04 0.00 1.02 0.00 0.00 30.24 30.43 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 0.09 0.93 0.70 1.08 0.00 0.07 -4.89 105.19 103.18 3dfs n GLY 340 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.52 2.88 -2.64 1.61 5.02 0.27 -4.87 118.16 117.91 3dfs n LYS 341 Ca -0.13 -2.32 -0.41 0.00 -2.02 0.00 0.00 58.31 53.43 3dfs n LYS 341 Cb 0.45 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.66 3.68 -0.01 2.13 5.04 -1.18 -4.77 117.35 120.57 3dfs s TYR 342 Ca 0.29 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.56 3dfs s TYR 342 Cb 0.20 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.34 3dfs s TYR 342 CO 0.13 -0.21 0.07 0.95 -1.34 0.00 0.00 175.55 175.14 3dfs s THR 343 N 0.36 0.05 0.47 4.34 -4.23 -1.24 -4.97 115.64 110.43 3dfs s THR 343 Ca 0.50 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.86 3dfs s THR 343 Cb -0.25 -0.24 0.44 0.00 1.34 0.00 0.00 72.50 73.80 3dfs s THR 343 CO 0.30 -0.22 1.85 -0.65 -0.54 0.00 0.00 174.62 175.35 3dfs h PRO 344 N 5.23 0.20 -0.48 3.99 0.11 -1.96 -0.25 132.00 138.85 3dfs h PRO 344 Ca -0.28 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 3dfs h PRO 344 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dfs h PRO 344 CO 0.43 0.13 -0.10 0.66 -0.21 0.00 0.00 178.00 178.91 3dfs h SER 345 N 0.21 0.91 0.00 -2.05 4.64 -1.96 -3.50 113.55 111.81 3dfs h SER 345 Ca 0.49 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3dfs h SER 345 Cb 1.56 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3dfs h SER 345 CO -0.12 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3dfs n GLY 346 N -0.23 0.23 0.31 -0.77 0.00 -0.11 -4.86 105.19 99.77 3dfs n GLY 346 Ca 0.00 -1.14 0.16 0.00 0.00 0.00 0.00 46.02 45.04 3dfs n GLY 346 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dfs h GLN 347 N 0.00 0.00 0.00 1.61 1.08 -1.88 -3.28 115.11 112.64 3dfs h GLN 347 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dfs h GLN 347 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3dfs h GLN 347 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 3dfs n ALA 348 N -2.33 1.74 -0.91 3.87 0.00 -1.26 -4.95 120.51 116.67 3dfs n ALA 348 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3dfs n ALA 348 Cb 0.19 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.66 3dfs n ALA 348 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dfs n SER 359 N -0.54 -2.05 0.00 0.00 2.88 -1.26 -4.45 113.62 108.20 3dfs n SER 359 Ca 0.00 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3dfs n SER 359 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 3dfs n SER 359 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3dfs n ASN 360 N -2.92 0.45 0.00 -3.46 5.15 -1.26 -4.79 115.26 108.43 3dfs n ASN 360 Ca 0.02 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.12 3dfs n ASN 360 Cb 0.07 0.05 0.65 0.00 -0.53 0.00 0.00 39.78 40.02 3dfs n ASN 360 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3dfs n HIS 361 N -0.62 0.00 1.06 1.20 8.25 -1.26 -2.16 115.22 121.69 3dfs n HIS 361 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 3dfs n HIS 361 Cb 0.04 -0.17 0.34 0.00 1.12 0.00 0.00 29.99 31.32 3dfs n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dfs n ALA 362 N -1.17 2.50 0.15 -1.41 0.00 -1.26 -5.31 120.51 114.00 3dfs n ALA 362 Ca 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 53.44 52.98 3dfs n ALA 362 Cb 0.15 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.57 3dfs n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16