#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfq s HIS 2 N 0.00 3.03 0.02 0.54 3.76 -1.26 -5.10 115.29 116.28 3dfq s HIS 2 Ca 0.00 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 3dfq s HIS 2 Cb 0.00 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.83 3dfq s HIS 2 CO 0.00 0.26 0.81 0.45 -0.85 0.00 0.00 174.74 175.41 3dfq s SER 3 N -0.46 7.22 -0.48 1.40 0.15 -1.26 -4.99 113.70 115.27 3dfq s SER 3 Ca 0.07 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.24 3dfq s SER 3 Cb -0.12 -2.49 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 3dfq s SER 3 CO 0.02 -0.07 0.45 1.41 1.20 0.00 0.00 173.24 176.24 3dfq n HIS 4 N 3.23 0.40 -0.71 3.44 8.25 -1.26 -5.09 115.22 123.49 3dfq n HIS 4 Ca -0.00 -3.63 -0.30 0.00 -0.26 0.00 0.00 57.72 53.53 3dfq n HIS 4 Cb 0.50 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 3dfq n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dfq n PRO 5 N 2.17 0.00 0.13 -0.41 -0.02 -1.26 -4.85 135.00 130.77 3dfq n PRO 5 Ca 0.26 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 3dfq n PRO 5 Cb 0.46 -0.69 0.07 0.00 -0.02 0.00 0.00 33.50 33.32 3dfq n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dfq h ALA 6 N 3.10 0.69 -3.36 3.55 0.00 -1.99 -3.45 119.26 117.80 3dfq h ALA 6 Ca -0.13 -0.54 -0.31 0.00 0.00 0.00 0.00 54.91 53.92 3dfq h ALA 6 Cb 0.64 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.11 3dfq h ALA 6 CO 0.47 0.74 -0.75 -0.51 0.00 0.00 0.00 179.25 179.21 3dfq s LEU 7 N -6.72 2.21 0.55 0.00 1.43 -1.26 -4.95 118.68 109.94 3dfq s LEU 7 Ca 0.02 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 3dfq s LEU 7 Cb 0.09 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.06 3dfq s LEU 7 CO 0.75 -0.13 0.83 0.42 0.23 0.00 0.00 176.35 178.46 3dfq s THR 8 N -1.13 3.77 0.34 5.49 -4.23 -1.26 -4.87 115.64 113.74 3dfq s THR 8 Ca -0.06 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 3dfq s THR 8 Cb -0.09 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.59 3dfq s THR 8 CO 0.01 -0.44 1.91 -0.65 -0.54 0.00 0.00 174.62 174.91 3dfq h PRO 9 N -0.01 0.81 -0.35 3.99 0.11 -2.01 -0.06 132.00 134.47 3dfq h PRO 9 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3dfq h PRO 9 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3dfq h PRO 9 CO 0.60 0.53 0.10 0.93 -0.21 0.00 0.00 178.00 179.95 3dfq h GLU 10 N 0.83 0.56 -0.70 1.05 3.07 -1.99 -0.65 114.58 116.74 3dfq h GLU 10 Ca 0.39 -0.12 -0.06 0.00 -0.50 0.00 0.00 59.36 59.07 3dfq h GLU 10 Cb 0.41 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3dfq h GLU 10 CO -0.16 0.59 0.22 1.96 -1.40 0.00 0.00 179.01 180.22 3dfq h GLN 11 N 0.42 1.09 -0.34 2.33 4.20 -1.71 -1.84 115.11 119.27 3dfq h GLN 11 Ca 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3dfq h GLN 11 Cb 0.27 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3dfq h GLN 11 CO -0.00 0.94 0.18 0.87 -0.67 0.00 0.00 178.83 180.14 3dfq h LYS 12 N 1.03 0.48 -0.68 1.46 1.57 -0.82 -2.16 116.57 117.44 3dfq h LYS 12 Ca 0.23 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3dfq h LYS 12 Cb 0.30 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3dfq h LYS 12 CO -0.01 0.41 0.42 -0.22 -0.57 0.00 0.00 179.45 179.49 3dfq h LYS 13 N 0.42 0.80 -0.20 3.15 3.64 -0.86 -0.18 116.57 123.34 3dfq h LYS 13 Ca 0.12 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3dfq h LYS 13 Cb 0.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3dfq h LYS 13 CO -0.02 0.53 0.12 1.49 -2.27 0.00 0.00 179.45 179.31 3dfq h GLU 14 N 0.83 0.25 -0.35 1.90 4.81 -1.09 0.05 114.58 120.96 3dfq h GLU 14 Ca 0.28 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3dfq h GLU 14 Cb 0.03 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3dfq h GLU 14 CO -0.11 0.16 0.09 -0.07 -0.73 0.00 0.00 179.01 178.36 3dfq h LEU 15 N 0.25 0.53 -0.41 1.64 3.38 -1.08 -1.88 115.31 117.74 3dfq h LEU 15 Ca 0.08 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3dfq h LEU 15 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3dfq h LEU 15 CO -0.03 0.62 0.21 -1.28 0.09 0.00 0.00 178.44 178.05 3dfq h SER 16 N 0.42 0.53 -0.72 -0.43 0.87 -0.91 -1.01 113.55 112.31 3dfq h SER 16 Ca 0.11 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3dfq h SER 16 Cb 0.29 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 3dfq h SER 16 CO -0.00 0.50 0.47 0.44 -0.53 0.00 0.00 176.83 177.71 3dfq h ASP 17 N 0.53 0.81 0.04 6.23 3.32 -0.88 -0.94 116.42 125.54 3dfq h ASP 17 Ca 0.14 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3dfq h ASP 17 Cb 0.10 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3dfq h ASP 17 CO -0.02 0.58 -0.02 0.40 -1.72 0.00 0.00 179.24 178.46 3dfq h ILE 18 N 0.96 1.05 -0.72 0.35 2.04 -1.07 -1.72 117.51 118.39 3dfq h ILE 18 Ca 0.27 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3dfq h ILE 18 Cb -0.09 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3dfq h ILE 18 CO -0.07 0.07 0.42 0.00 0.00 0.00 0.00 178.15 178.57 3dfq h ALA 19 N 0.77 0.98 -0.35 1.87 0.00 -0.92 -2.10 119.26 119.52 3dfq h ALA 19 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3dfq h ALA 19 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dfq h ALA 19 CO 0.01 0.11 -0.19 0.45 0.00 0.00 0.00 179.25 179.63 3dfq h HIS 20 N 0.77 0.72 -0.73 0.00 3.86 -1.06 -2.98 115.15 115.73 3dfq h HIS 20 Ca 0.32 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3dfq h HIS 20 Cb 0.19 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 3dfq h HIS 20 CO -0.06 0.80 0.22 0.00 0.86 0.00 0.00 177.93 179.74 3dfq h ARG 21 N 0.58 1.14 -0.88 2.45 3.08 -0.67 -1.68 114.38 118.41 3dfq h ARG 21 Ca 0.09 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3dfq h ARG 21 Cb 0.65 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3dfq h ARG 21 CO 0.05 0.98 0.48 0.82 -1.07 0.00 0.00 179.97 181.22 3dfq h ILE 22 N 1.09 1.26 -0.48 2.04 2.04 -1.27 -3.08 117.51 119.11 3dfq h ILE 22 Ca 0.23 -0.63 -0.18 0.00 1.00 0.00 0.00 64.86 65.28 3dfq h ILE 22 Cb 0.32 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.36 3dfq h ILE 22 CO -0.01 0.29 0.10 1.33 0.00 0.00 0.00 178.15 179.86 3dfq n VAL 23 N -4.35 2.63 -1.63 1.67 0.24 -1.14 -4.18 118.33 111.57 3dfq n VAL 23 Ca 0.09 -2.21 -0.38 0.00 -2.04 0.00 0.00 64.34 59.81 3dfq n VAL 23 Cb 0.10 -0.33 0.05 0.00 -1.47 0.00 0.00 33.84 32.19 3dfq n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfq n ALA 24 N -0.79 0.36 -1.55 2.33 0.00 -0.64 -4.72 120.51 115.51 3dfq n ALA 24 Ca 0.35 0.03 -0.61 0.00 0.00 0.00 0.00 53.44 53.21 3dfq n ALA 24 Cb 1.14 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 3dfq n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dfq n PRO 25 N -0.97 0.02 -0.55 0.00 -0.02 -1.26 -0.56 135.00 131.65 3dfq n PRO 25 Ca 0.13 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3dfq n PRO 25 Cb 0.46 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3dfq n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dfq n GLY 26 N 1.99 1.64 3.76 -1.23 0.00 -1.26 -5.03 105.19 105.06 3dfq n GLY 26 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3dfq n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfq s LYS 27 N -0.10 2.86 0.04 1.61 1.02 0.27 -4.36 119.74 121.08 3dfq s LYS 27 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.32 3dfq s LYS 27 Cb 0.00 -2.72 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3dfq s LYS 27 CO 0.00 0.57 0.03 0.41 -0.92 0.00 0.00 175.35 175.45 3dfq n GLY 28 N 0.60 3.90 3.36 -3.33 0.00 0.34 -4.62 105.19 105.43 3dfq n GLY 28 Ca -0.10 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3dfq n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfq s ILE 29 N -2.16 2.67 -0.35 -0.61 1.01 0.18 -0.04 121.20 121.90 3dfq s ILE 29 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3dfq s ILE 29 Cb 0.00 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 3dfq s ILE 29 CO 0.03 0.56 0.40 -0.22 0.00 0.00 0.00 174.94 175.72 3dfq s LEU 30 N -0.19 4.47 -0.70 2.97 2.96 -0.19 -1.76 118.68 126.24 3dfq s LEU 30 Ca -0.01 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.46 3dfq s LEU 30 Cb -0.13 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.28 3dfq s LEU 30 CO 0.03 -0.39 0.86 0.00 -1.32 0.00 0.00 176.35 175.53 3dfq s ALA 31 N 2.10 3.40 -0.28 5.97 0.00 0.46 -0.97 121.76 132.44 3dfq s ALA 31 Ca 0.13 -2.36 0.09 0.00 0.00 0.00 0.00 51.96 49.81 3dfq s ALA 31 Cb -0.16 -3.71 0.46 0.00 0.00 0.00 0.00 23.12 19.70 3dfq s ALA 31 CO 0.12 -2.57 1.32 0.00 0.00 0.00 0.00 175.76 174.63 3dfq n ALA 32 N 6.46 4.36 -0.53 0.00 0.00 -0.74 -4.04 120.51 126.02 3dfq n ALA 32 Ca 0.01 -3.40 -0.02 0.00 0.00 0.00 0.00 53.44 50.03 3dfq n ALA 32 Cb 0.45 -0.53 0.26 0.00 0.00 0.00 0.00 19.45 19.63 3dfq n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dfq n SER 33 N -1.01 4.32 -4.77 0.00 3.41 -1.03 -4.23 113.62 110.32 3dfq n SER 33 Ca 0.32 -2.87 -0.40 0.00 -0.26 0.00 0.00 58.87 55.66 3dfq n SER 33 Cb 0.87 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 3dfq n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dfq s GLU 34 N -2.41 3.72 0.96 4.33 8.01 -1.26 -4.45 118.70 127.61 3dfq s GLU 34 Ca 0.42 2.41 -0.15 0.00 0.01 0.00 0.00 54.97 57.66 3dfq s GLU 34 Cb 0.33 -2.68 0.18 0.00 -4.31 0.00 0.00 34.13 27.66 3dfq s GLU 34 CO 0.11 -0.78 1.25 -1.54 0.01 0.00 0.00 175.26 174.31 3dfq s SER 35 N -0.51 3.10 0.28 -0.19 1.04 -1.26 -4.73 113.70 111.43 3dfq s SER 35 Ca 0.60 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.50 3dfq s SER 35 Cb -0.43 -0.69 0.38 0.00 0.10 0.00 0.00 66.02 65.37 3dfq s SER 35 CO 0.56 -2.76 1.85 0.74 0.98 0.00 0.00 173.24 174.61 3dfq h THR 36 N -1.65 1.23 0.00 2.02 2.02 -1.98 0.47 112.91 115.01 3dfq h THR 36 Ca -0.45 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 3dfq h THR 36 Cb 1.27 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3dfq h THR 36 CO 0.45 0.29 -0.33 1.23 0.37 0.00 0.00 175.52 177.53 3dfq h GLY 37 N 1.01 0.00 0.14 2.16 0.00 -2.00 -0.95 103.07 103.43 3dfq h GLY 37 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.40 3dfq h GLY 37 CO -0.02 0.00 -0.72 0.23 0.00 0.00 0.00 176.54 176.04 3dfq h SER 38 N 0.00 0.10 0.36 0.19 0.87 -1.76 -3.35 113.55 109.96 3dfq h SER 38 Ca -0.00 -0.81 -0.03 0.00 -1.23 0.00 0.00 61.79 59.72 3dfq h SER 38 Cb 0.64 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3dfq h SER 38 CO 0.04 1.30 -0.16 -0.29 -0.53 0.00 0.00 176.83 177.19 3dfq h ILE 39 N -0.84 0.73 -0.54 2.23 6.09 -0.94 -2.83 117.51 121.41 3dfq h ILE 39 Ca -0.18 -0.65 0.03 0.00 -1.37 0.00 0.00 64.86 62.69 3dfq h ILE 39 Cb 1.28 1.40 -0.04 0.00 0.47 0.00 0.00 36.82 39.93 3dfq h ILE 39 CO -0.05 0.16 0.31 0.00 -3.07 0.00 0.00 178.15 175.50 3dfq h ALA 40 N 1.84 0.69 -0.19 0.18 0.00 -1.29 0.16 119.26 120.65 3dfq h ALA 40 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dfq h ALA 40 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dfq h ALA 40 CO 0.02 0.01 -0.15 0.87 0.00 0.00 0.00 179.25 180.00 3dfq h LYS 41 N 0.61 0.31 -0.22 0.00 1.57 -1.64 0.12 116.57 117.33 3dfq h LYS 41 Ca 0.22 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3dfq h LYS 41 Cb 0.06 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 3dfq h LYS 41 CO -0.11 0.47 -0.29 0.00 -0.57 0.00 0.00 179.45 178.94 3dfq h ARG 42 N 0.29 0.58 -0.11 3.15 2.47 -1.26 -2.10 114.38 117.41 3dfq h ARG 42 Ca 0.06 -0.33 -0.12 0.00 -1.26 0.00 0.00 59.98 58.32 3dfq h ARG 42 Cb 0.44 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.78 3dfq h ARG 42 CO 0.03 0.94 -0.48 -0.07 0.56 0.00 0.00 179.97 180.94 3dfq h LEU 43 N 0.27 0.29 -0.62 3.04 3.38 -0.41 -3.03 115.31 118.22 3dfq h LEU 43 Ca 0.03 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3dfq h LEU 43 Cb 0.86 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3dfq h LEU 43 CO 0.07 0.72 -0.04 -0.61 0.09 0.00 0.00 178.44 178.68 3dfq h GLN 44 N 0.21 1.05 -0.13 1.13 4.15 -0.70 0.44 115.11 121.26 3dfq h GLN 44 Ca 0.01 -0.35 0.04 0.00 0.77 0.00 0.00 58.65 59.12 3dfq h GLN 44 Cb 0.93 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.52 3dfq h GLN 44 CO 0.08 1.04 0.16 0.66 -1.93 0.00 0.00 178.83 178.84 3dfq h SER 45 N 0.95 0.00 -0.35 -0.69 4.64 -1.25 0.38 113.55 117.23 3dfq h SER 45 Ca 0.16 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 3dfq h SER 45 Cb 0.60 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 3dfq h SER 45 CO 0.04 0.00 0.01 2.30 -0.87 0.00 0.00 176.83 178.30 3dfq n ILE 46 N -3.75 2.46 -2.81 0.95 -5.35 -1.02 -4.95 119.36 104.90 3dfq n ILE 46 Ca 0.00 -2.26 -0.20 0.00 -0.27 0.00 0.00 62.75 60.02 3dfq n ILE 46 Cb 0.27 -0.30 0.01 0.00 -1.74 0.00 0.00 39.64 37.88 3dfq n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfq n GLY 47 N -0.82 -0.51 3.57 3.28 0.00 0.12 -4.51 105.19 106.32 3dfq n GLY 47 Ca 0.29 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 3dfq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfq s THR 48 N -2.96 4.20 0.28 2.61 2.01 0.15 -4.99 115.64 116.93 3dfq s THR 48 Ca 0.18 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 3dfq s THR 48 Cb -0.09 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 3dfq s THR 48 CO 0.22 0.51 1.43 -0.70 -0.69 0.00 0.00 174.62 175.39 3dfq s GLU 49 N 0.14 4.26 -1.31 4.92 2.12 -1.26 -3.65 118.70 123.91 3dfq s GLU 49 Ca 0.01 2.33 -0.14 0.00 0.36 0.00 0.00 54.97 57.54 3dfq s GLU 49 Cb -0.13 -3.08 0.12 0.00 0.26 0.00 0.00 34.13 31.29 3dfq s GLU 49 CO 0.02 -0.41 1.82 -1.71 -0.54 0.00 0.00 175.26 174.45 3dfq n ASN 50 N 1.86 4.80 -4.81 -1.70 5.15 -1.26 -4.74 115.26 114.56 3dfq n ASN 50 Ca 0.05 -2.97 -0.22 0.00 -0.60 0.00 0.00 54.58 50.84 3dfq n ASN 50 Cb 0.40 -1.61 -0.05 0.00 -0.53 0.00 0.00 39.78 38.00 3dfq n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3dfq s THR 51 N 2.23 2.78 0.28 -0.44 -4.23 -1.26 -5.00 115.64 110.00 3dfq s THR 51 Ca 0.45 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3dfq s THR 51 Cb 0.06 -3.02 0.18 0.00 1.34 0.00 0.00 72.50 71.06 3dfq s THR 51 CO -0.00 -0.06 1.85 -0.08 -0.54 0.00 0.00 174.62 175.78 3dfq h GLU 52 N 1.26 0.91 -0.40 3.99 4.81 -1.99 -1.42 114.58 121.74 3dfq h GLU 52 Ca -0.43 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.59 3dfq h GLU 52 Cb 1.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 3dfq h GLU 52 CO 0.62 0.76 0.01 1.49 -0.73 0.00 0.00 179.01 181.15 3dfq h GLU 53 N 0.89 0.69 -0.67 1.92 4.57 -1.96 0.76 114.58 120.78 3dfq h GLU 53 Ca 0.21 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.09 3dfq h GLU 53 Cb 0.21 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3dfq h GLU 53 CO -0.01 0.78 0.11 -0.91 -1.18 0.00 0.00 179.01 177.80 3dfq h ASN 54 N 0.52 1.07 -0.47 1.04 2.35 -1.80 0.28 115.58 118.58 3dfq h ASN 54 Ca 0.11 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 3dfq h ASN 54 Cb 0.46 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3dfq h ASN 54 CO 0.02 1.06 0.10 0.03 -1.65 0.00 0.00 177.43 176.98 3dfq h ARG 55 N 1.04 0.76 -0.22 0.81 3.08 -1.10 -0.13 114.38 118.62 3dfq h ARG 55 Ca 0.20 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3dfq h ARG 55 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3dfq h ARG 55 CO 0.01 0.76 0.10 -0.09 -1.07 0.00 0.00 179.97 179.69 3dfq h ARG 56 N 0.64 0.31 -0.61 0.04 2.43 -0.50 -1.53 114.38 115.15 3dfq h ARG 56 Ca 0.14 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dfq h ARG 56 Cb 0.35 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3dfq h ARG 56 CO 0.00 0.33 0.40 0.35 -1.51 0.00 0.00 179.97 179.55 3dfq h PHE 57 N 0.22 0.76 -0.41 2.20 3.57 -0.29 -0.27 116.94 122.71 3dfq h PHE 57 Ca 0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3dfq h PHE 57 Cb 0.12 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3dfq h PHE 57 CO -0.02 0.47 0.19 -0.92 -2.23 0.00 0.00 178.31 175.80 3dfq h TYR 58 N 0.82 0.60 -0.67 0.41 3.20 -0.83 -0.90 116.97 119.59 3dfq h TYR 58 Ca 0.23 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3dfq h TYR 58 Cb -0.07 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3dfq h TYR 58 CO -0.04 0.50 0.18 0.00 -1.64 0.00 0.00 178.16 177.16 3dfq h ARG 59 N 0.53 1.06 -0.91 1.82 -0.00 -1.02 -2.28 114.38 113.58 3dfq h ARG 59 Ca 0.14 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.98 59.38 3dfq h ARG 59 Cb 0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 29.97 29.91 3dfq h ARG 59 CO -0.02 0.93 0.54 0.37 0.00 0.00 0.00 179.97 181.79 3dfq h GLN 60 N 1.01 1.23 -0.85 0.04 4.15 -0.70 0.11 115.11 120.10 3dfq h GLN 60 Ca 0.22 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.60 3dfq h GLN 60 Cb 0.33 -0.26 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 3dfq h GLN 60 CO -0.00 0.86 0.52 1.25 -1.93 0.00 0.00 178.83 179.53 3dfq h LEU 61 N 1.25 0.79 0.04 -2.39 6.46 -0.59 -0.01 115.31 120.85 3dfq h LEU 61 Ca 0.32 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.02 3dfq h LEU 61 Cb -0.05 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 39.75 3dfq h LEU 61 CO -0.06 0.49 -0.37 -0.07 -0.62 0.00 0.00 178.44 177.81 3dfq h LEU 62 N 0.92 0.25 -1.62 2.25 3.38 -1.11 -3.31 115.31 116.07 3dfq h LEU 62 Ca 0.38 -0.89 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3dfq h LEU 62 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dfq h LEU 62 CO -0.20 1.11 -0.21 -0.07 0.09 0.00 0.00 178.44 179.17 3dfq h LEU 63 N -0.57 0.00 -3.62 1.67 3.38 -0.67 -3.06 115.31 112.45 3dfq h LEU 63 Ca -0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3dfq h LEU 63 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 3dfq h LEU 63 CO 0.07 0.21 0.15 0.35 0.09 0.00 0.00 178.44 179.30 3dfq n THR 64 N -3.92 2.80 -0.85 0.22 -2.24 -0.03 -4.79 114.28 105.47 3dfq n THR 64 Ca -0.02 -1.67 -0.31 0.00 -2.27 0.00 0.00 64.05 59.78 3dfq n THR 64 Cb 0.30 -0.32 0.15 0.00 -2.10 0.00 0.00 70.33 68.35 3dfq n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dfq s ALA 65 N -2.93 1.65 1.03 6.98 0.00 -1.16 -4.94 121.76 122.38 3dfq s ALA 65 Ca 0.53 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 3dfq s ALA 65 Cb 0.42 -3.43 0.17 0.00 0.00 0.00 0.00 23.12 20.28 3dfq s ALA 65 CO 0.13 -2.54 0.84 -0.40 0.00 0.00 0.00 175.76 173.79 3dfq n ASP 66 N -3.99 -1.05 0.00 0.00 5.68 -1.26 -4.84 116.55 111.09 3dfq n ASP 66 Ca 0.12 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.57 3dfq n ASP 66 Cb 0.52 -1.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 3dfq n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dfq n ASP 67 N -3.66 0.00 0.26 -1.12 8.00 -1.26 -2.44 116.55 116.33 3dfq n ASP 67 Ca 0.07 0.33 0.13 0.00 0.71 0.00 0.00 54.79 56.03 3dfq n ASP 67 Cb 0.54 -0.33 0.72 0.00 -0.02 0.00 0.00 41.12 42.03 3dfq n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dfq h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -2.65 114.38 111.56 3dfq h ARG 68 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3dfq h ARG 68 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dfq h ARG 68 CO 0.00 0.12 -0.36 -0.39 -1.07 0.00 0.00 179.97 178.27 3dfq h VAL 69 N 0.00 0.21 -0.74 2.04 -1.51 -1.82 -3.38 116.25 111.06 3dfq h VAL 69 Ca -0.00 -1.31 0.14 0.00 -1.23 0.00 0.00 66.70 64.29 3dfq h VAL 69 Cb 0.37 2.00 -0.14 0.00 -2.13 0.00 0.00 31.29 31.40 3dfq h VAL 69 CO 0.02 0.12 -0.27 0.78 -1.23 0.00 0.00 177.57 176.98 3dfq h ASN 70 N 0.00 -0.97 0.76 4.19 4.21 -1.69 0.36 115.58 122.45 3dfq h ASN 70 Ca -0.01 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.74 3dfq h ASN 70 Cb 1.11 0.55 0.00 0.00 -1.12 0.00 0.00 38.32 38.87 3dfq h ASN 70 CO 0.02 -0.28 0.00 -0.65 -1.29 0.00 0.00 177.43 175.23 3dfq h PRO 71 N -0.06 0.00 0.01 0.81 0.11 -1.78 -3.14 132.00 127.96 3dfq h PRO 71 Ca 0.32 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.13 3dfq h PRO 71 Cb 0.57 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 3dfq h PRO 71 CO -0.78 0.00 -1.73 0.00 -0.21 0.00 0.00 178.00 175.28 3dfq s ILE 73 N -2.60 4.48 -0.18 0.00 -1.09 -0.29 -0.50 121.20 121.02 3dfq s ILE 73 Ca -0.06 -0.79 0.22 0.00 -2.23 0.00 0.00 60.65 57.78 3dfq s ILE 73 Cb 0.08 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 3dfq s ILE 73 CO 0.82 -0.16 0.90 0.61 -1.23 0.00 0.00 174.94 175.88 3dfq n GLY 74 N 4.97 -1.34 3.46 6.18 0.00 0.94 -4.41 105.19 114.99 3dfq n GLY 74 Ca -0.12 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 3dfq n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfq s GLY 75 N -4.45 -0.53 -0.08 -0.02 0.00 -1.09 -1.25 107.32 99.89 3dfq s GLY 75 Ca -0.02 0.98 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 3dfq s GLY 75 CO 0.82 0.65 -0.04 0.14 0.00 0.00 0.00 173.10 174.66 3dfq s VAL 76 N -1.88 0.67 -0.10 1.40 1.01 -0.40 -1.03 120.40 120.08 3dfq s VAL 76 Ca -0.08 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3dfq s VAL 76 Cb -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3dfq s VAL 76 CO 0.03 0.29 0.56 -0.63 0.00 0.00 0.00 175.10 175.36 3dfq s ILE 77 N 1.54 5.14 0.22 2.22 1.01 -0.15 -0.83 121.20 130.35 3dfq s ILE 77 Ca -0.00 1.13 0.11 0.00 0.00 0.00 0.00 60.65 61.89 3dfq s ILE 77 Cb -0.13 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3dfq s ILE 77 CO -0.04 0.30 -0.20 -0.76 0.00 0.00 0.00 174.94 174.24 3dfq s LEU 78 N 0.69 2.59 0.36 2.97 1.43 -0.12 -1.79 118.68 124.81 3dfq s LEU 78 Ca 0.30 -0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 3dfq s LEU 78 Cb -0.16 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.75 3dfq s LEU 78 CO 0.13 0.09 0.69 0.12 0.23 0.00 0.00 176.35 177.61 3dfq s PHE 79 N -1.94 3.47 0.22 0.29 5.36 -1.26 -1.93 117.98 122.19 3dfq s PHE 79 Ca 0.24 0.91 -0.17 0.00 -0.96 0.00 0.00 56.93 56.96 3dfq s PHE 79 Cb -0.07 -2.32 0.23 0.00 -0.34 0.00 0.00 43.02 40.52 3dfq s PHE 79 CO 0.12 0.01 1.58 1.25 -1.46 0.00 0.00 175.22 176.72 3dfq h HIS 80 N 1.47 -0.84 -0.45 10.12 6.17 -1.93 -1.15 115.15 128.55 3dfq h HIS 80 Ca -0.47 0.08 0.09 0.00 0.71 0.00 0.00 60.37 60.78 3dfq h HIS 80 Cb 1.19 0.49 -0.08 0.00 2.52 0.00 0.00 27.41 31.52 3dfq h HIS 80 CO 0.60 -0.38 -0.06 1.49 0.71 0.00 0.00 177.93 180.28 3dfq h GLU 81 N -0.06 0.04 -0.14 5.26 4.81 -1.99 -2.20 114.58 120.30 3dfq h GLU 81 Ca 0.32 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 3dfq h GLU 81 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3dfq h GLU 81 CO -0.84 0.03 -0.17 1.15 -0.73 0.00 0.00 179.01 178.45 3dfq h THR 82 N 0.04 1.20 0.00 0.32 2.02 -1.62 -2.54 112.91 112.33 3dfq h THR 82 Ca 0.22 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3dfq h THR 82 Cb 0.33 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3dfq h THR 82 CO -0.42 0.27 -0.03 0.25 0.37 0.00 0.00 175.52 175.95 3dfq h LEU 83 N 0.22 0.00 -2.91 2.58 5.85 -0.74 -2.10 115.31 118.20 3dfq h LEU 83 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3dfq h LEU 83 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3dfq h LEU 83 CO 0.03 0.03 0.00 -1.22 -0.34 0.00 0.00 178.44 176.94 3dfq n TYR 84 N -3.61 0.60 -3.06 1.25 4.01 -0.97 -4.58 117.16 110.80 3dfq n TYR 84 Ca -0.03 -0.54 -0.22 0.00 -0.16 0.00 0.00 57.90 56.95 3dfq n TYR 84 Cb 0.13 -0.06 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 3dfq n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dfq s GLN 85 N -1.19 3.09 0.13 -0.72 -0.21 -0.79 -4.98 119.66 114.99 3dfq s GLN 85 Ca 0.29 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.20 3dfq s GLN 85 Cb 0.16 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 3dfq s GLN 85 CO 0.17 -0.21 -0.18 0.15 -2.12 0.00 0.00 175.29 173.11 3dfq s LYS 86 N -4.50 1.12 1.02 2.91 1.02 -1.26 -1.56 119.74 118.49 3dfq s LYS 86 Ca 0.47 -1.25 -0.16 0.00 0.02 0.00 0.00 55.97 55.06 3dfq s LYS 86 Cb -0.10 -1.19 0.20 0.00 -0.52 0.00 0.00 37.83 36.22 3dfq s LYS 86 CO 0.37 0.25 1.18 0.00 -0.92 0.00 0.00 175.35 176.24 3dfq s ALA 87 N -1.72 1.54 0.57 5.17 0.00 0.22 -4.87 121.76 122.67 3dfq s ALA 87 Ca 0.09 -0.85 0.37 0.00 0.00 0.00 0.00 51.96 51.57 3dfq s ALA 87 Cb -0.07 -2.91 2.06 0.00 0.00 0.00 0.00 23.12 22.19 3dfq s ALA 87 CO 0.05 -2.74 2.28 -0.44 0.00 0.00 0.00 175.76 174.90 3dfq h ASP 88 N -1.88 0.00 -0.36 0.00 3.32 -1.99 -1.03 116.42 114.48 3dfq h ASP 88 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3dfq h ASP 88 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3dfq h ASP 88 CO 0.46 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.10 3dfq n ASP 89 N -3.39 2.04 0.00 6.45 5.68 -1.26 -4.91 116.55 121.16 3dfq n ASP 89 Ca -0.03 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 3dfq n ASP 89 Cb 0.11 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 3dfq n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dfq n GLY 90 N 1.13 1.59 3.70 6.12 0.00 -0.39 -5.02 105.19 112.32 3dfq n GLY 90 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3dfq n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfq s ARG 91 N -0.24 4.46 0.50 1.61 0.52 -1.26 -4.72 118.95 119.82 3dfq s ARG 91 Ca 0.00 1.55 -0.23 0.00 -0.52 0.00 0.00 55.73 56.53 3dfq s ARG 91 Cb 0.00 -3.46 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 3dfq s ARG 91 CO 0.00 -0.22 1.40 -2.14 0.02 0.00 0.00 175.30 174.36 3dfq s PRO 92 N 1.43 3.37 0.37 3.54 0.02 -1.26 -0.61 135.00 141.86 3dfq s PRO 92 Ca 0.54 2.35 0.10 0.00 0.02 0.00 0.00 61.00 64.01 3dfq s PRO 92 Cb -0.23 -2.44 0.86 0.00 0.02 0.00 0.00 34.50 32.71 3dfq s PRO 92 CO 0.25 -1.04 1.89 0.74 -0.33 0.00 0.00 177.00 178.51 3dfq h PHE 93 N 1.85 0.73 -0.78 6.54 0.04 -1.55 -0.87 116.94 122.91 3dfq h PHE 93 Ca -0.51 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.28 3dfq h PHE 93 Cb 1.29 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 39.17 3dfq h PHE 93 CO 0.48 0.29 0.48 -1.35 -0.60 0.00 0.00 178.31 177.60 3dfq h PRO 94 N 0.63 1.05 -0.45 1.51 0.11 -1.85 0.19 132.00 133.19 3dfq h PRO 94 Ca 0.42 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 3dfq h PRO 94 Cb 0.70 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 3dfq h PRO 94 CO -0.17 0.73 -0.19 0.37 -0.21 0.00 0.00 178.00 178.52 3dfq h GLN 95 N 1.07 0.89 0.03 1.05 4.15 -1.54 -1.05 115.11 119.71 3dfq h GLN 95 Ca 0.28 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3dfq h GLN 95 Cb -0.06 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3dfq h GLN 95 CO -0.05 1.01 -0.01 0.28 -1.93 0.00 0.00 178.83 178.12 3dfq h VAL 96 N 0.78 1.03 -0.25 2.39 2.07 -0.61 0.03 116.25 121.69 3dfq h VAL 96 Ca 0.11 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3dfq h VAL 96 Cb 0.74 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 3dfq h VAL 96 CO 0.06 0.04 0.10 0.40 0.02 0.00 0.00 177.57 178.18 3dfq h ILE 97 N -0.10 0.95 -0.76 4.57 2.04 -0.87 -2.87 117.51 120.46 3dfq h ILE 97 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3dfq h ILE 97 Cb 0.09 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3dfq h ILE 97 CO 0.01 0.04 0.35 0.50 0.00 0.00 0.00 178.15 179.04 3dfq h LYS 98 N 0.22 1.11 0.00 2.37 3.64 -1.05 -2.09 116.57 120.77 3dfq h LYS 98 Ca 0.11 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3dfq h LYS 98 Cb 0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3dfq h LYS 98 CO -0.10 0.88 0.00 0.66 -2.27 0.00 0.00 179.45 178.62 3dfq h SER 99 N 1.08 0.00 -0.67 4.20 4.64 -0.77 -0.19 113.55 121.84 3dfq h SER 99 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3dfq h SER 99 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3dfq h SER 99 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3dfq n LYS 100 N -2.69 3.72 -1.00 4.77 5.02 -0.85 -4.93 118.16 122.21 3dfq n LYS 100 Ca -0.01 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 3dfq n LYS 100 Cb 0.12 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3dfq n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfq n GLY 101 N 1.19 0.42 3.80 0.72 0.00 -0.08 -4.62 105.19 106.62 3dfq n GLY 101 Ca 0.26 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 3dfq n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfq s GLY 102 N -2.70 1.78 0.05 -0.02 0.00 -0.85 -4.80 107.32 100.77 3dfq s GLY 102 Ca 0.00 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 3dfq s GLY 102 CO 0.00 -1.17 0.40 0.14 0.00 0.00 0.00 173.10 172.48 3dfq s VAL 103 N -1.68 5.07 -0.15 1.40 1.01 -0.38 -3.68 120.40 121.98 3dfq s VAL 103 Ca 0.31 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.76 3dfq s VAL 103 Cb -0.11 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3dfq s VAL 103 CO 0.23 0.41 0.31 -0.69 0.00 0.00 0.00 175.10 175.36 3dfq s VAL 104 N -1.27 5.29 0.27 2.92 1.01 -1.26 -1.27 120.40 126.09 3dfq s VAL 104 Ca 0.29 0.58 0.11 0.00 0.00 0.00 0.00 61.98 62.96 3dfq s VAL 104 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3dfq s VAL 104 CO 0.16 0.39 -0.13 -0.83 0.00 0.00 0.00 175.10 174.69 3dfq s GLY 105 N 0.44 1.79 -0.02 4.51 0.00 -0.01 0.03 107.32 114.06 3dfq s GLY 105 Ca 0.17 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 43.13 3dfq s GLY 105 CO 0.04 -1.86 -0.03 -1.50 0.00 0.00 0.00 173.10 169.75 3dfq s ILE 106 N -2.40 0.35 -0.12 0.90 1.10 -0.29 -0.94 121.20 119.81 3dfq s ILE 106 Ca 0.30 -0.11 -0.30 0.00 -0.51 0.00 0.00 60.65 60.03 3dfq s ILE 106 Cb -0.06 -0.35 -0.02 0.00 0.15 0.00 0.00 42.46 42.19 3dfq s ILE 106 CO 0.17 0.14 1.11 -0.75 -2.11 0.00 0.00 174.94 173.49 3dfq s LYS 107 N 0.36 4.35 -0.00 3.50 2.36 -0.81 -0.95 119.74 128.55 3dfq s LYS 107 Ca -0.04 1.51 0.05 0.00 -2.55 0.00 0.00 55.97 54.94 3dfq s LYS 107 Cb -0.07 -3.59 -0.05 0.00 -1.05 0.00 0.00 37.83 33.07 3dfq s LYS 107 CO -0.00 -0.46 0.19 1.33 1.55 0.00 0.00 175.35 177.96 3dfq n VAL 108 N 4.79 0.00 -1.51 4.02 0.24 -0.29 -4.65 118.33 120.93 3dfq n VAL 108 Ca 0.11 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 3dfq n VAL 108 Cb 0.47 0.99 0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3dfq n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dfq s ASP 109 N -1.45 5.07 -0.34 -1.34 1.47 -1.24 -4.84 116.67 114.00 3dfq s ASP 109 Ca 0.02 1.60 0.07 0.00 1.18 0.00 0.00 52.55 55.41 3dfq s ASP 109 Cb 0.03 -2.42 0.48 0.00 -0.34 0.00 0.00 42.92 40.67 3dfq s ASP 109 CO 0.19 -1.64 1.45 0.29 0.68 0.00 0.00 175.17 176.13 3dfq n LYS 110 N -3.25 2.45 0.00 2.11 5.02 0.10 -4.94 118.16 119.64 3dfq n LYS 110 Ca 0.08 -3.50 0.00 0.00 -2.02 0.00 0.00 58.31 52.86 3dfq n LYS 110 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 3dfq n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfq n GLY 111 N -0.98 -1.05 3.87 0.72 0.00 -1.25 -4.71 105.19 101.79 3dfq n GLY 111 Ca 0.39 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 3dfq n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dfq s VAL 112 N -1.86 4.79 0.03 1.61 -7.23 -1.26 -1.58 120.40 114.90 3dfq s VAL 112 Ca 0.00 0.61 0.02 0.00 -1.81 0.00 0.00 61.98 60.80 3dfq s VAL 112 Cb 0.00 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.20 3dfq s VAL 112 CO 0.00 -0.48 -0.07 0.68 -0.31 0.00 0.00 175.10 174.92 3dfq s VAL 113 N -2.32 0.45 0.29 1.32 -7.23 0.01 -4.89 120.40 108.03 3dfq s VAL 113 Ca 0.51 -0.92 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 3dfq s VAL 113 Cb -0.10 -0.51 -0.10 0.00 0.56 0.00 0.00 36.38 36.23 3dfq s VAL 113 CO 0.30 -0.32 1.26 -2.16 -0.31 0.00 0.00 175.10 173.87 3dfq s PRO 114 N -1.33 4.43 -0.40 4.82 0.04 -1.26 -1.31 135.00 139.98 3dfq s PRO 114 Ca -0.09 2.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 3dfq s PRO 114 Cb -0.09 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.34 3dfq s PRO 114 CO 0.00 -0.10 0.54 -0.51 0.04 0.00 0.00 177.00 176.96 3dfq s LEU 115 N -1.40 4.54 0.55 -3.56 1.43 -0.15 -4.83 118.68 115.27 3dfq s LEU 115 Ca 0.49 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.06 3dfq s LEU 115 Cb -0.37 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 3dfq s LEU 115 CO 0.47 -0.61 1.36 0.00 0.23 0.00 0.00 176.35 177.81 3dfq s ALA 116 N 2.47 2.82 0.00 4.21 0.00 -1.26 -2.72 121.76 127.28 3dfq s ALA 116 Ca 0.18 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3dfq s ALA 116 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3dfq s ALA 116 CO 0.15 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.93 3dfq n GLY 117 N 0.73 0.55 3.63 0.00 0.00 -1.26 -5.03 105.19 103.81 3dfq n GLY 117 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3dfq n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfq s THR 118 N -2.15 2.15 -1.23 2.61 -4.23 -1.10 -5.06 115.64 106.64 3dfq s THR 118 Ca 0.00 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 3dfq s THR 118 Cb 0.00 -2.93 0.18 0.00 1.34 0.00 0.00 72.50 71.09 3dfq s THR 118 CO 0.00 -0.05 1.59 -3.20 -0.54 0.00 0.00 174.62 172.42 3dfq n ASN 119 N -0.99 5.25 -0.82 3.99 5.15 -1.26 -4.51 115.26 122.07 3dfq n ASN 119 Ca -0.04 -3.05 -0.11 0.00 -0.60 0.00 0.00 54.58 50.78 3dfq n ASN 119 Cb 0.66 -1.51 -0.04 0.00 -0.53 0.00 0.00 39.78 38.35 3dfq n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dfq n GLY 120 N 3.38 1.14 3.91 8.20 0.00 -1.26 -5.01 105.19 115.55 3dfq n GLY 120 Ca 0.37 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 3dfq n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfq s GLU 121 N -2.95 3.52 0.24 1.61 2.02 -1.26 -4.97 118.70 116.91 3dfq s GLU 121 Ca 0.00 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.21 3dfq s GLU 121 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3dfq s GLU 121 CO 0.00 -0.24 0.12 0.95 0.02 0.00 0.00 175.26 176.12 3dfq s THR 122 N -2.77 0.28 0.39 3.63 -4.23 -1.26 -0.98 115.64 110.71 3dfq s THR 122 Ca 0.48 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.04 3dfq s THR 122 Cb -0.10 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 3dfq s THR 122 CO 0.45 0.00 0.18 0.28 -0.54 0.00 0.00 174.62 174.99 3dfq s THR 123 N -3.89 0.39 -0.00 3.99 -1.32 -0.43 -4.79 115.64 109.59 3dfq s THR 123 Ca 0.38 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.94 3dfq s THR 123 Cb 0.07 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.67 3dfq s THR 123 CO 0.14 0.00 -0.25 -0.89 -2.21 0.00 0.00 174.62 171.41 3dfq s THR 124 N -3.27 1.95 0.36 5.08 2.01 -1.26 -0.81 115.64 119.69 3dfq s THR 124 Ca 0.28 -1.12 0.08 0.00 0.31 0.00 0.00 61.69 61.23 3dfq s THR 124 Cb 0.02 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 3dfq s THR 124 CO 0.18 0.49 0.30 0.00 -0.69 0.00 0.00 174.62 174.89 3dfq s GLN 125 N -0.75 2.62 0.00 4.92 -2.07 -0.62 -4.90 119.66 118.87 3dfq s GLN 125 Ca 0.10 -1.40 0.00 0.00 -1.82 0.00 0.00 55.36 52.24 3dfq s GLN 125 Cb -0.09 -2.41 0.00 0.00 -1.09 0.00 0.00 33.01 29.42 3dfq s GLN 125 CO -0.00 0.02 0.00 0.41 -1.32 0.00 0.00 175.29 174.40 3dfq n GLY 126 N -1.39 -0.97 0.11 2.60 0.00 -1.26 0.01 105.19 104.29 3dfq n GLY 126 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3dfq n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfq h LEU 127 N 0.00 0.00 -9.32 0.99 3.38 -1.90 -3.41 115.31 105.05 3dfq h LEU 127 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3dfq h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dfq h LEU 127 CO 0.00 0.74 1.14 0.47 0.09 0.00 0.00 178.44 180.88 3dfq n ASP 128 N -3.49 3.73 -1.27 -0.43 10.43 -1.26 -1.24 116.55 123.01 3dfq n ASP 128 Ca -0.00 0.95 -0.17 0.00 2.57 0.00 0.00 54.79 58.14 3dfq n ASP 128 Cb 0.76 -1.44 -0.07 0.00 1.84 0.00 0.00 41.12 42.21 3dfq n ASP 128 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dfq n GLY 129 N 4.43 1.64 0.29 0.44 0.00 -1.26 -4.89 105.19 105.85 3dfq n GLY 129 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3dfq n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dfq h LEU 130 N 0.00 0.65 -0.13 0.99 5.85 -1.40 -2.60 115.31 118.67 3dfq h LEU 130 Ca -0.34 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3dfq h LEU 130 Cb 1.12 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3dfq h LEU 130 CO 0.50 0.64 0.06 -1.28 -0.34 0.00 0.00 178.44 178.02 3dfq h SER 131 N 0.68 0.10 -0.77 1.25 0.87 -1.90 0.43 113.55 114.21 3dfq h SER 131 Ca 0.15 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3dfq h SER 131 Cb 0.25 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 3dfq h SER 131 CO -0.00 0.08 0.39 -0.33 -0.53 0.00 0.00 176.83 176.44 3dfq h GLU 132 N 0.14 1.10 -0.53 2.24 3.07 -1.94 -1.23 114.58 117.42 3dfq h GLU 132 Ca 0.05 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 3dfq h GLU 132 Cb 0.01 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 3dfq h GLU 132 CO -0.03 0.84 0.25 0.00 -1.40 0.00 0.00 179.01 178.66 3dfq h ARG 133 N 1.08 0.77 -0.53 2.33 3.08 -1.08 -1.79 114.38 118.25 3dfq h ARG 133 Ca 0.27 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 3dfq h ARG 133 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3dfq h ARG 133 CO -0.04 0.65 0.25 0.00 -1.07 0.00 0.00 179.97 179.76 3dfq h ALA 135 N 1.09 0.91 -0.23 0.00 0.00 -1.03 0.47 119.26 120.47 3dfq h ALA 135 Ca 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3dfq h ALA 135 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3dfq h ALA 135 CO -0.02 0.20 -0.11 0.37 0.00 0.00 0.00 179.25 179.69 3dfq h GLN 136 N 0.84 0.47 -0.72 0.00 5.75 -0.95 -2.66 115.11 117.83 3dfq h GLN 136 Ca 0.28 -0.20 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3dfq h GLN 136 Cb 0.03 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.53 3dfq h GLN 136 CO -0.11 0.74 0.44 1.88 -2.65 0.00 0.00 178.83 179.13 3dfq h TYR 137 N 0.18 0.94 -0.22 3.99 0.05 -0.50 -1.15 116.97 120.26 3dfq h TYR 137 Ca 0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3dfq h TYR 137 Cb 0.60 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3dfq h TYR 137 CO 0.06 0.62 0.14 -0.22 -1.05 0.00 0.00 178.16 177.71 3dfq h LYS 138 N 0.99 0.29 -0.11 4.88 1.63 -0.83 -1.11 116.57 122.31 3dfq h LYS 138 Ca 0.26 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 3dfq h LYS 138 Cb -0.06 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3dfq h LYS 138 CO -0.05 0.20 -0.08 0.87 -3.45 0.00 0.00 179.45 176.94 3dfq h LYS 139 N 0.29 0.16 -0.39 1.90 1.57 -1.05 -2.44 116.57 116.62 3dfq h LYS 139 Ca 0.08 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dfq h LYS 139 Cb -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3dfq h LYS 139 CO -0.02 0.26 0.00 -0.25 -0.57 0.00 0.00 179.45 178.87 3dfq n ASP 140 N -4.35 1.75 0.00 0.86 8.00 -0.49 -4.91 116.55 117.41 3dfq n ASP 140 Ca -0.01 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.42 3dfq n ASP 140 Cb 0.21 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3dfq n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfq n GLY 141 N 0.81 2.12 3.76 0.44 0.00 -0.92 -4.93 105.19 106.47 3dfq n GLY 141 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3dfq n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfq s ALA 142 N -2.29 3.30 0.00 4.61 0.00 -0.49 -4.43 121.76 122.46 3dfq s ALA 142 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3dfq s ALA 142 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3dfq s ALA 142 CO 0.00 0.18 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 3dfq n ASP 143 N 1.20 0.62 -4.00 0.00 8.00 0.10 -4.06 116.55 118.40 3dfq n ASP 143 Ca -0.01 -0.40 -0.09 0.00 0.71 0.00 0.00 54.79 55.00 3dfq n ASP 143 Cb 0.48 0.93 -0.08 0.00 -0.02 0.00 0.00 41.12 42.42 3dfq n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3dfq s PHE 144 N -1.05 0.49 0.23 1.24 -0.71 -1.15 -1.08 117.98 115.95 3dfq s PHE 144 Ca 0.00 -0.89 0.04 0.00 -1.04 0.00 0.00 56.93 55.04 3dfq s PHE 144 Cb 0.00 -0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 3dfq s PHE 144 CO 0.00 -0.59 -0.02 0.00 -1.34 0.00 0.00 175.22 173.27 3dfq s ALA 145 N -3.96 1.84 -0.03 1.99 0.00 0.21 -1.13 121.76 120.67 3dfq s ALA 145 Ca 0.15 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.40 3dfq s ALA 145 Cb 0.05 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 3dfq s ALA 145 CO -0.03 -0.22 -0.17 0.21 0.00 0.00 0.00 175.76 175.55 3dfq s LYS 146 N -3.84 1.60 -0.18 0.00 2.36 -0.13 -1.91 119.74 117.64 3dfq s LYS 146 Ca 0.28 -0.61 -0.05 0.00 -2.55 0.00 0.00 55.97 53.04 3dfq s LYS 146 Cb 0.05 -1.45 0.09 0.00 -1.05 0.00 0.00 37.83 35.47 3dfq s LYS 146 CO 0.08 0.30 0.35 -0.46 1.55 0.00 0.00 175.35 177.17 3dfq s TRP 147 N -0.16 -0.64 -0.21 4.03 -0.11 -1.26 -1.13 118.94 119.46 3dfq s TRP 147 Ca 0.01 1.14 -0.07 0.00 1.22 0.00 0.00 56.10 58.40 3dfq s TRP 147 Cb -0.09 0.10 -0.03 0.00 -1.50 0.00 0.00 33.47 31.94 3dfq s TRP 147 CO 0.01 -0.48 0.05 0.50 -4.62 0.00 0.00 176.95 172.40 3dfq s ARG 148 N 2.52 3.77 0.03 5.86 3.52 -1.26 -3.50 118.95 129.90 3dfq s ARG 148 Ca 0.02 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.22 3dfq s ARG 148 Cb -0.13 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3dfq s ARG 148 CO -0.12 0.06 -0.03 0.00 -0.81 0.00 0.00 175.30 174.40 3dfq s VAL 150 N -1.13 1.23 0.12 0.00 1.01 -1.26 -1.50 120.40 118.88 3dfq s VAL 150 Ca 0.21 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.76 3dfq s VAL 150 Cb -0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3dfq s VAL 150 CO 0.12 0.38 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 3dfq s LEU 151 N 0.79 2.33 -0.01 3.92 1.43 0.57 -4.51 118.68 123.21 3dfq s LEU 151 Ca -0.12 -0.74 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 3dfq s LEU 151 Cb -0.16 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 3dfq s LEU 151 CO 0.02 0.07 -0.14 -0.75 0.23 0.00 0.00 176.35 175.78 3dfq s LYS 152 N -2.12 1.15 -0.20 1.70 2.20 -1.26 -0.85 119.74 120.36 3dfq s LYS 152 Ca 0.10 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 54.99 3dfq s LYS 152 Cb -0.09 -1.12 -0.03 0.00 -1.51 0.00 0.00 37.83 35.08 3dfq s LYS 152 CO 0.05 0.31 0.60 0.42 -0.36 0.00 0.00 175.35 176.37 3dfq s ILE 153 N -0.35 5.04 0.00 5.43 1.01 -1.26 -2.33 121.20 128.74 3dfq s ILE 153 Ca 0.05 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3dfq s ILE 153 Cb -0.06 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.50 3dfq s ILE 153 CO -0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3dfq n GLY 154 N 3.86 2.56 0.30 6.18 0.00 -0.32 -4.78 105.19 113.01 3dfq n GLY 154 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3dfq n GLY 154 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dfq h GLU 155 N 0.00 0.69 0.00 1.61 4.39 -2.02 -3.20 114.58 116.05 3dfq h GLU 155 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3dfq h GLU 155 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3dfq h GLU 155 CO 0.00 0.58 0.00 0.72 -1.16 0.00 0.00 179.01 179.15 3dfq n HIS 156 N -4.35 0.00 -4.25 4.33 8.25 -1.26 -5.05 115.22 112.89 3dfq n HIS 156 Ca 0.04 -0.38 -0.19 0.00 -0.26 0.00 0.00 57.72 56.93 3dfq n HIS 156 Cb 0.16 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 3dfq n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dfq s THR 157 N -0.75 1.40 0.17 1.59 -4.23 -1.21 -3.55 115.64 109.06 3dfq s THR 157 Ca 0.00 -1.66 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 3dfq s THR 157 Cb 0.00 -1.51 -0.08 0.00 1.34 0.00 0.00 72.50 72.26 3dfq s THR 157 CO 0.00 -0.34 1.12 -2.16 -0.54 0.00 0.00 174.62 172.71 3dfq s PRO 158 N -2.47 4.57 0.77 3.99 0.04 -0.98 -1.17 135.00 139.74 3dfq s PRO 158 Ca 0.08 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 3dfq s PRO 158 Cb -0.06 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.26 3dfq s PRO 158 CO 0.03 0.03 1.10 -1.54 0.04 0.00 0.00 177.00 176.67 3dfq s SER 159 N -0.01 4.82 0.21 6.66 1.04 -1.23 -4.84 113.70 120.35 3dfq s SER 159 Ca 0.50 1.20 -0.08 0.00 0.48 0.00 0.00 55.95 58.04 3dfq s SER 159 Cb -0.30 -1.93 0.28 0.00 0.10 0.00 0.00 66.02 64.17 3dfq s SER 159 CO 0.35 -1.75 1.78 0.00 0.98 0.00 0.00 173.24 174.61 3dfq h ALA 160 N -0.94 0.90 -0.12 5.32 0.00 -2.00 -1.05 119.26 121.38 3dfq h ALA 160 Ca -0.46 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3dfq h ALA 160 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3dfq h ALA 160 CO 0.61 -0.04 0.05 1.25 0.00 0.00 0.00 179.25 181.13 3dfq h LEU 161 N 0.60 0.17 -0.52 0.00 5.85 -1.99 -1.09 115.31 118.33 3dfq h LEU 161 Ca 0.32 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.92 3dfq h LEU 161 Cb 0.29 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3dfq h LEU 161 CO -0.23 0.28 0.27 0.00 -0.34 0.00 0.00 178.44 178.41 3dfq h ALA 162 N 0.89 0.67 0.07 1.25 0.00 -1.80 0.93 119.26 121.27 3dfq h ALA 162 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dfq h ALA 162 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3dfq h ALA 162 CO -0.00 -0.07 -0.04 0.82 0.00 0.00 0.00 179.25 179.96 3dfq h ILE 163 N 0.52 1.06 -0.10 0.00 2.04 -1.12 -1.70 117.51 118.21 3dfq h ILE 163 Ca 0.23 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3dfq h ILE 163 Cb 0.13 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3dfq h ILE 163 CO -0.16 0.11 0.05 -0.03 0.00 0.00 0.00 178.15 178.13 3dfq h MET 164 N -0.30 0.10 -0.29 2.37 4.05 -0.96 -1.48 114.93 118.42 3dfq h MET 164 Ca -0.01 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3dfq h MET 164 Cb 0.26 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3dfq h MET 164 CO 0.02 0.07 0.07 1.49 0.23 0.00 0.00 176.91 178.78 3dfq h GLU 165 N 0.11 0.47 -0.62 0.39 4.57 -0.85 -1.13 114.58 117.51 3dfq h GLU 165 Ca 0.04 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 3dfq h GLU 165 Cb 0.01 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 3dfq h GLU 165 CO -0.03 0.55 0.13 -0.91 -1.18 0.00 0.00 179.01 177.58 3dfq h ASN 166 N 0.31 0.94 -0.44 1.04 2.35 -1.28 -1.15 115.58 117.35 3dfq h ASN 166 Ca 0.09 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.56 3dfq h ASN 166 Cb 0.30 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3dfq h ASN 166 CO 0.00 0.92 -0.04 0.00 -1.65 0.00 0.00 177.43 176.66 3dfq h ALA 167 N 1.19 0.98 -0.32 -0.83 0.00 -1.14 -2.00 119.26 117.15 3dfq h ALA 167 Ca 0.20 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3dfq h ALA 167 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dfq h ALA 167 CO 0.00 0.61 -0.17 -0.97 0.00 0.00 0.00 179.25 178.72 3dfq h ASN 168 N 0.80 0.71 0.11 0.00 -1.24 -0.80 -2.33 115.58 112.84 3dfq h ASN 168 Ca 0.14 -0.41 -0.11 0.00 0.71 0.00 0.00 56.30 56.63 3dfq h ASN 168 Cb 0.54 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3dfq h ASN 168 CO 0.03 0.97 -0.37 1.62 -1.29 0.00 0.00 177.43 178.39 3dfq h VAL 169 N 0.46 1.30 -0.82 2.57 3.04 -1.14 -1.79 116.25 119.86 3dfq h VAL 169 Ca 0.07 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.26 3dfq h VAL 169 Cb 0.71 1.58 -0.04 0.00 -2.01 0.00 0.00 31.29 31.53 3dfq h VAL 169 CO 0.05 0.45 0.36 -0.07 -1.01 0.00 0.00 177.57 177.35 3dfq h LEU 170 N 0.31 1.10 -0.71 3.16 3.38 -1.27 -1.16 115.31 120.11 3dfq h LEU 170 Ca 0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3dfq h LEU 170 Cb 0.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3dfq h LEU 170 CO 0.06 0.94 0.26 0.00 0.09 0.00 0.00 178.44 179.79 3dfq h ALA 171 N 1.19 0.93 -0.30 1.53 0.00 -0.86 0.02 119.26 121.77 3dfq h ALA 171 Ca 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3dfq h ALA 171 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dfq h ALA 171 CO -0.03 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.87 3dfq h ARG 172 N 1.03 0.48 -0.54 0.00 2.47 -0.98 -0.60 114.38 116.24 3dfq h ARG 172 Ca 0.23 -0.11 0.03 0.00 -1.26 0.00 0.00 59.98 58.87 3dfq h ARG 172 Cb 0.25 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.47 3dfq h ARG 172 CO -0.01 0.55 0.30 -0.92 0.56 0.00 0.00 179.97 180.45 3dfq h TYR 173 N 0.32 0.56 -0.73 3.04 3.20 -1.00 -1.54 116.97 120.84 3dfq h TYR 173 Ca 0.09 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3dfq h TYR 173 Cb 0.28 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3dfq h TYR 173 CO 0.01 0.30 0.24 0.00 -1.64 0.00 0.00 178.16 177.08 3dfq h ALA 174 N 1.26 0.95 -0.05 1.82 0.00 -0.76 -1.88 119.26 120.59 3dfq h ALA 174 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dfq h ALA 174 Cb 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dfq h ALA 174 CO -0.12 0.62 0.02 1.03 0.00 0.00 0.00 179.25 180.80 3dfq h SER 175 N 1.07 0.06 -0.68 0.00 0.87 -0.65 -2.05 113.55 112.16 3dfq h SER 175 Ca 0.24 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3dfq h SER 175 Cb 0.28 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3dfq h SER 175 CO -0.01 0.18 0.40 0.40 -0.53 0.00 0.00 176.83 177.27 3dfq h ILE 176 N -0.06 1.20 -0.16 2.23 2.04 -1.20 -2.68 117.51 118.89 3dfq h ILE 176 Ca 0.02 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3dfq h ILE 176 Cb 0.14 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3dfq h ILE 176 CO -0.00 0.22 0.04 0.00 0.00 0.00 0.00 178.15 178.40 3dfq h GLN 178 N 0.10 0.00 0.00 0.00 4.20 -1.18 -0.56 115.11 117.68 3dfq h GLN 178 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dfq h GLN 178 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3dfq h GLN 178 CO -0.09 0.07 0.00 1.04 -0.67 0.00 0.00 178.83 179.18 3dfq n GLN 179 N -3.45 0.20 -0.17 1.46 1.13 -0.97 -3.30 117.38 112.28 3dfq n GLN 179 Ca -0.02 0.28 0.10 0.00 -1.94 0.00 0.00 57.00 55.42 3dfq n GLN 179 Cb 0.20 -1.79 0.17 0.00 0.11 0.00 0.00 30.24 28.93 3dfq n GLN 179 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3dfq n ASN 180 N -2.15 2.71 -0.66 1.08 4.13 -0.30 -4.98 115.26 115.10 3dfq n ASN 180 Ca 0.04 -3.09 -0.09 0.00 1.68 0.00 0.00 54.58 53.12 3dfq n ASN 180 Cb 0.33 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 38.07 3dfq n ASN 180 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dfq n GLY 181 N -1.21 1.04 3.49 7.41 0.00 -1.14 -4.74 105.19 110.03 3dfq n GLY 181 Ca 0.17 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3dfq n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfq s ILE 182 N -2.30 3.93 -0.22 -0.61 -1.09 -0.68 -4.85 121.20 115.37 3dfq s ILE 182 Ca 0.00 -0.34 -0.29 0.00 -2.23 0.00 0.00 60.65 57.79 3dfq s ILE 182 Cb 0.00 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 38.15 3dfq s ILE 182 CO 0.00 0.48 1.08 -0.69 -1.23 0.00 0.00 174.94 174.58 3dfq s VAL 183 N 0.50 4.60 -0.06 2.92 1.01 -0.24 -3.29 120.40 125.85 3dfq s VAL 183 Ca -0.03 1.93 -0.22 0.00 0.00 0.00 0.00 61.98 63.67 3dfq s VAL 183 Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3dfq s VAL 183 CO 0.03 -0.19 0.64 -2.16 0.00 0.00 0.00 175.10 173.41 3dfq s PRO 184 N 3.28 4.40 -0.32 2.72 0.04 -1.26 -0.62 135.00 143.24 3dfq s PRO 184 Ca 0.46 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 3dfq s PRO 184 Cb -0.16 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 3dfq s PRO 184 CO 0.08 0.15 0.45 0.42 0.04 0.00 0.00 177.00 178.14 3dfq s ILE 185 N 0.53 5.09 -0.33 0.56 1.01 -0.80 -2.78 121.20 124.49 3dfq s ILE 185 Ca 0.34 0.38 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 3dfq s ILE 185 Cb -0.17 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3dfq s ILE 185 CO 0.17 -0.07 0.94 -0.69 0.00 0.00 0.00 174.94 175.29 3dfq s VAL 186 N 2.22 4.62 -0.48 2.92 1.01 -0.05 -4.03 120.40 126.61 3dfq s VAL 186 Ca 0.16 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.60 3dfq s VAL 186 Cb -0.16 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.04 3dfq s VAL 186 CO 0.12 -0.42 0.22 -0.70 0.00 0.00 0.00 175.10 174.31 3dfq s GLU 187 N 3.39 1.85 -0.93 2.72 2.12 -1.23 -0.12 118.70 126.50 3dfq s GLU 187 Ca 0.39 -2.46 -0.11 0.00 0.36 0.00 0.00 54.97 53.16 3dfq s GLU 187 Cb -0.13 -3.26 0.24 0.00 0.26 0.00 0.00 34.13 31.24 3dfq s GLU 187 CO 0.15 -1.08 0.88 -1.25 -0.54 0.00 0.00 175.26 173.43 3dfq s PRO 188 N -0.04 3.76 -0.11 4.30 0.04 -1.25 -1.27 135.00 140.43 3dfq s PRO 188 Ca 0.16 -2.81 -0.29 0.00 0.04 0.00 0.00 61.00 58.10 3dfq s PRO 188 Cb -0.25 -4.41 -0.01 0.00 0.04 0.00 0.00 34.50 29.87 3dfq s PRO 188 CO -0.02 -1.26 0.98 -2.00 0.04 0.00 0.00 177.00 174.74 3dfq s GLU 189 N -0.49 4.41 -0.36 4.56 2.12 -0.56 -4.53 118.70 123.85 3dfq s GLU 189 Ca 0.23 1.34 -0.12 0.00 0.36 0.00 0.00 54.97 56.78 3dfq s GLU 189 Cb -0.10 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3dfq s GLU 189 CO -0.08 -0.29 0.21 0.42 -0.54 0.00 0.00 175.26 174.98 3dfq s ILE 190 N 1.95 4.84 0.64 -3.70 1.01 -1.26 -0.31 121.20 124.36 3dfq s ILE 190 Ca 0.47 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 60.36 3dfq s ILE 190 Cb -0.18 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3dfq s ILE 190 CO 0.18 -0.12 1.21 0.18 0.00 0.00 0.00 174.94 176.39 3dfq n LEU 191 N 5.04 5.49 -0.09 2.97 4.77 -0.03 -4.83 117.00 130.31 3dfq n LEU 191 Ca -0.12 0.82 0.14 0.00 -0.03 0.00 0.00 56.01 56.82 3dfq n LEU 191 Cb 0.48 -1.52 0.54 0.00 -2.33 0.00 0.00 43.42 40.59 3dfq n LEU 191 CO 0.37 -1.21 0.80 -0.81 -1.33 0.00 0.00 177.39 175.21 3dfq n PRO 192 N -1.69 0.49 -1.67 3.23 -0.04 -1.26 -4.51 135.00 129.55 3dfq n PRO 192 Ca 0.15 -0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 3dfq n PRO 192 Cb 0.48 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 3dfq n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dfq n ASP 193 N -1.10 2.38 0.00 3.54 9.92 -1.26 -0.46 116.55 129.57 3dfq n ASP 193 Ca 0.12 1.20 0.00 0.00 -0.53 0.00 0.00 54.79 55.58 3dfq n ASP 193 Cb 0.30 -1.43 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 3dfq n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dfq n GLY 194 N 0.93 1.37 0.57 0.44 0.00 -1.26 -4.59 105.19 102.64 3dfq n GLY 194 Ca 0.06 -2.25 0.07 0.00 0.00 0.00 0.00 46.02 43.90 3dfq n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dfq n ASP 195 N 0.00 3.09 -4.73 1.61 5.75 -1.26 -0.79 116.55 120.23 3dfq n ASP 195 Ca 0.00 -2.57 -0.31 0.00 -0.01 0.00 0.00 54.79 51.90 3dfq n ASP 195 Cb 0.00 -0.35 0.12 0.00 -1.03 0.00 0.00 41.12 39.86 3dfq n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dfq s HIS 196 N -2.01 2.19 0.46 2.11 -3.43 -1.26 -4.20 115.29 109.14 3dfq s HIS 196 Ca 0.29 1.61 0.03 0.00 -0.80 0.00 0.00 55.06 56.20 3dfq s HIS 196 Cb 0.22 -3.16 0.08 0.00 -1.43 0.00 0.00 32.58 28.29 3dfq s HIS 196 CO 0.09 -2.24 0.63 -0.40 -2.00 0.00 0.00 174.74 170.82 3dfq n ASP 197 N -3.83 1.20 -0.14 7.38 5.68 -1.26 0.33 116.55 125.90 3dfq n ASP 197 Ca 0.10 -1.93 -0.06 0.00 -0.50 0.00 0.00 54.79 52.39 3dfq n ASP 197 Cb 0.53 -0.38 0.02 0.00 -1.14 0.00 0.00 41.12 40.15 3dfq n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dfq h LEU 198 N 0.00 0.39 -1.36 -2.12 5.85 -1.92 -2.55 115.31 113.60 3dfq h LEU 198 Ca -0.21 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3dfq h LEU 198 Cb 0.86 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3dfq h LEU 198 CO 0.26 0.28 -0.16 0.07 -0.34 0.00 0.00 178.44 178.55 3dfq h LYS 199 N 0.50 0.23 -0.34 1.25 2.10 -1.95 -0.67 116.57 117.69 3dfq h LYS 199 Ca 0.18 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.66 3dfq h LYS 199 Cb 0.04 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 3dfq h LYS 199 CO -0.09 0.39 -0.25 -0.09 -2.00 0.00 0.00 179.45 177.41 3dfq h ARG 200 N 0.22 0.76 -0.72 0.07 2.43 -1.88 -0.64 114.38 114.63 3dfq h ARG 200 Ca 0.04 -0.37 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3dfq h ARG 200 Cb 0.41 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3dfq h ARG 200 CO 0.03 0.99 0.20 0.00 -1.51 0.00 0.00 179.97 179.68 3dfq h GLN 202 N 1.07 0.86 0.38 0.00 4.15 -0.93 -0.19 115.11 120.46 3dfq h GLN 202 Ca 0.23 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 3dfq h GLN 202 Cb 0.33 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3dfq h GLN 202 CO -0.00 0.71 -0.18 -0.92 -1.93 0.00 0.00 178.83 176.50 3dfq h TYR 203 N 0.80 -0.48 -0.69 3.99 3.20 -0.78 -1.27 116.97 121.75 3dfq h TYR 203 Ca 0.20 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dfq h TYR 203 Cb 0.16 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 3dfq h TYR 203 CO 0.00 -0.29 0.45 0.28 -1.64 0.00 0.00 178.16 176.97 3dfq h VAL 204 N -0.53 1.17 -0.78 1.81 2.07 -1.17 -1.74 116.25 117.08 3dfq h VAL 204 Ca -0.05 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3dfq h VAL 204 Cb 0.40 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3dfq h VAL 204 CO 0.09 0.17 0.51 0.74 0.02 0.00 0.00 177.57 179.09 3dfq h THR 205 N 0.93 1.21 -0.67 2.57 2.02 -0.90 0.21 112.91 118.27 3dfq h THR 205 Ca 0.25 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3dfq h THR 205 Cb -0.10 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 3dfq h THR 205 CO -0.06 0.21 0.25 -0.33 0.37 0.00 0.00 175.52 175.96 3dfq h GLU 206 N 1.07 1.01 -0.46 6.66 5.08 -0.73 -0.20 114.58 127.00 3dfq h GLU 206 Ca 0.29 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3dfq h GLU 206 Cb -0.10 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3dfq h GLU 206 CO -0.06 0.85 -0.26 0.87 -1.00 0.00 0.00 179.01 179.41 3dfq h LYS 207 N 0.95 0.98 -0.19 2.33 1.79 -0.89 -1.94 116.57 119.60 3dfq h LYS 207 Ca 0.22 -0.44 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 3dfq h LYS 207 Cb 0.23 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3dfq h LYS 207 CO -0.02 1.12 -0.00 0.28 -1.08 0.00 0.00 179.45 179.75 3dfq h VAL 208 N 0.84 1.26 -0.16 0.50 2.07 -0.79 -2.35 116.25 117.61 3dfq h VAL 208 Ca 0.10 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3dfq h VAL 208 Cb 0.84 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3dfq h VAL 208 CO 0.07 0.26 -0.19 -0.07 0.02 0.00 0.00 177.57 177.67 3dfq h LEU 209 N 0.10 0.25 -0.50 2.57 3.38 -1.02 0.09 115.31 120.19 3dfq h LEU 209 Ca 0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3dfq h LEU 209 Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dfq h LEU 209 CO 0.01 0.46 0.12 0.00 0.09 0.00 0.00 178.44 179.13 3dfq h ALA 210 N 1.56 0.65 -0.63 1.53 0.00 -1.24 -1.42 119.26 119.71 3dfq h ALA 210 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3dfq h ALA 210 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3dfq h ALA 210 CO 0.03 0.34 0.16 0.00 0.00 0.00 0.00 179.25 179.78 3dfq h ALA 211 N 0.99 0.83 -0.16 0.00 0.00 -0.86 -1.88 119.26 118.18 3dfq h ALA 211 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3dfq h ALA 211 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dfq h ALA 211 CO 0.00 0.55 0.09 0.28 0.00 0.00 0.00 179.25 180.17 3dfq h VAL 212 N 0.93 1.09 0.00 0.00 2.07 -0.68 -1.86 116.25 117.80 3dfq h VAL 212 Ca 0.20 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3dfq h VAL 212 Cb 0.35 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3dfq h VAL 212 CO 0.00 0.08 -0.47 1.88 0.02 0.00 0.00 177.57 179.09 3dfq h TYR 213 N 0.17 0.00 -0.41 1.57 0.05 -1.19 -1.28 116.97 115.89 3dfq h TYR 213 Ca 0.06 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.71 3dfq h TYR 213 Cb 0.05 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3dfq h TYR 213 CO -0.05 0.47 -0.26 -0.22 -1.05 0.00 0.00 178.16 177.05 3dfq h LYS 214 N 0.00 0.85 -0.53 4.88 1.63 -1.18 -1.40 116.57 120.82 3dfq h LYS 214 Ca -0.00 -0.37 -0.08 0.00 -0.85 0.00 0.00 60.65 59.35 3dfq h LYS 214 Cb 0.99 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 3dfq h LYS 214 CO 0.06 1.00 0.03 0.00 -3.45 0.00 0.00 179.45 177.10 3dfq h ALA 215 N 0.98 0.72 -0.58 5.00 0.00 -1.03 -0.58 119.26 123.77 3dfq h ALA 215 Ca 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3dfq h ALA 215 Cb 0.80 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3dfq h ALA 215 CO 0.07 0.50 0.25 -0.07 0.00 0.00 0.00 179.25 180.00 3dfq h LEU 216 N 0.80 0.76 -0.23 0.00 3.38 -1.04 -0.95 115.31 118.02 3dfq h LEU 216 Ca 0.16 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3dfq h LEU 216 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dfq h LEU 216 CO 0.02 0.67 -0.10 -1.28 0.09 0.00 0.00 178.44 177.83 3dfq h SER 217 N 0.83 0.50 -0.45 -0.43 0.87 -0.89 -0.02 113.55 113.95 3dfq h SER 217 Ca 0.20 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 3dfq h SER 217 Cb 0.13 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3dfq h SER 217 CO -0.02 0.79 0.30 0.44 -0.53 0.00 0.00 176.83 177.80 3dfq h ASP 218 N 0.20 0.46 -0.45 6.23 3.32 -0.61 -1.60 116.42 123.97 3dfq h ASP 218 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3dfq h ASP 218 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3dfq h ASP 218 CO 0.03 0.32 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 3dfq n HIS 219 N -4.48 0.62 -3.64 4.55 8.25 -0.41 -4.95 115.22 115.18 3dfq n HIS 219 Ca 0.04 -0.31 -0.24 0.00 -0.26 0.00 0.00 57.72 56.95 3dfq n HIS 219 Cb 0.11 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.29 3dfq n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dfq n HIS 220 N 0.82 -2.72 -2.71 4.41 8.25 -0.60 -4.89 115.22 117.78 3dfq n HIS 220 Ca 0.15 0.99 -0.41 0.00 -0.26 0.00 0.00 57.72 58.20 3dfq n HIS 220 Cb 0.39 -4.88 -0.05 0.00 1.12 0.00 0.00 29.99 26.58 3dfq n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dfq s ILE 221 N -3.33 4.23 -0.73 1.59 -1.09 -0.06 -4.90 121.20 116.91 3dfq s ILE 221 Ca 0.54 2.02 -0.24 0.00 -2.23 0.00 0.00 60.65 60.74 3dfq s ILE 221 Cb -0.24 -4.29 0.06 0.00 -1.58 0.00 0.00 42.46 36.40 3dfq s ILE 221 CO 0.75 0.39 1.13 -0.47 -1.23 0.00 0.00 174.94 175.51 3dfq s TYR 222 N -0.57 2.53 0.37 3.97 5.04 -1.26 -4.82 117.35 122.61 3dfq s TYR 222 Ca 0.44 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.73 3dfq s TYR 222 Cb -0.25 -4.45 0.75 0.00 0.35 0.00 0.00 41.96 38.35 3dfq s TYR 222 CO 0.32 -1.84 1.97 -0.07 -1.34 0.00 0.00 175.55 174.59 3dfq h LEU 223 N 12.08 0.65 -2.27 6.97 3.38 -1.94 -1.21 115.31 132.97 3dfq h LEU 223 Ca -0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3dfq h LEU 223 Cb 1.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3dfq h LEU 223 CO 1.23 0.43 -0.03 -0.33 0.09 0.00 0.00 178.44 179.83 3dfq h GLU 224 N 0.74 0.00 -0.91 1.13 3.07 -1.91 -1.62 114.58 115.09 3dfq h GLU 224 Ca 0.29 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.65 3dfq h GLU 224 Cb 0.22 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.84 3dfq h GLU 224 CO -0.09 0.03 0.57 0.41 -1.40 0.00 0.00 179.01 178.53 3dfq n GLY 225 N -0.67 4.85 3.16 -3.84 0.00 -0.46 -4.37 105.19 103.86 3dfq n GLY 225 Ca -0.02 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 3dfq n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfq s THR 226 N -3.60 0.10 0.10 2.61 -4.23 -0.61 -4.07 115.64 105.94 3dfq s THR 226 Ca 0.57 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 3dfq s THR 226 Cb 0.47 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 3dfq s THR 226 CO 0.07 -0.44 -0.09 -0.76 -0.54 0.00 0.00 174.62 172.87 3dfq s LEU 227 N -3.05 2.45 -0.08 4.79 1.43 -1.12 -3.55 118.68 119.54 3dfq s LEU 227 Ca 0.25 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 3dfq s LEU 227 Cb 0.07 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.04 3dfq s LEU 227 CO 0.02 -0.33 -0.20 -0.22 0.23 0.00 0.00 176.35 175.85 3dfq s LEU 228 N -2.70 2.33 -0.58 1.79 2.96 -0.48 -0.87 118.68 121.12 3dfq s LEU 228 Ca 0.08 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 3dfq s LEU 228 Cb -0.00 -1.47 0.15 0.00 0.50 0.00 0.00 46.19 45.37 3dfq s LEU 228 CO -0.01 0.22 0.35 -0.75 -1.32 0.00 0.00 176.35 174.84 3dfq s LYS 229 N -0.01 2.08 0.40 1.98 2.20 0.83 0.06 119.74 127.27 3dfq s LYS 229 Ca -0.07 -2.84 0.08 0.00 -0.36 0.00 0.00 55.97 52.78 3dfq s LYS 229 Cb -0.15 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3dfq s LYS 229 CO 0.05 -1.19 0.47 -1.25 -0.36 0.00 0.00 175.35 173.06 3dfq s PRO 230 N -0.68 2.76 0.49 4.03 0.04 -1.26 -3.79 135.00 136.59 3dfq s PRO 230 Ca 0.21 -1.31 -0.19 0.00 0.04 0.00 0.00 61.00 59.75 3dfq s PRO 230 Cb -0.17 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 3dfq s PRO 230 CO -0.07 -0.16 0.99 0.54 0.04 0.00 0.00 177.00 178.34 3dfq s ASN 231 N -4.22 6.59 0.72 6.66 4.22 -1.26 -2.34 114.94 125.31 3dfq s ASN 231 Ca 0.50 1.70 -0.11 0.00 -2.14 0.00 0.00 52.86 52.81 3dfq s ASN 231 Cb -0.07 -2.53 0.02 0.00 1.28 0.00 0.00 41.25 39.95 3dfq s ASN 231 CO 0.30 -0.61 1.07 -0.04 -2.04 0.00 0.00 177.10 175.79 3dfq s MET 232 N -3.61 2.77 -0.38 3.55 -1.94 -1.26 -4.94 119.30 113.49 3dfq s MET 232 Ca 0.62 0.81 -0.22 0.00 -1.71 0.00 0.00 55.69 55.19 3dfq s MET 232 Cb -0.11 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.76 3dfq s MET 232 CO 0.23 -1.18 0.73 0.08 -0.01 0.00 0.00 175.02 174.87 3dfq s VAL 233 N -3.11 4.77 0.15 -6.03 1.01 -1.26 -5.01 120.40 110.92 3dfq s VAL 233 Ca 0.58 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 3dfq s VAL 233 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3dfq s VAL 233 CO 0.54 -0.46 0.16 0.42 0.00 0.00 0.00 175.10 175.77 3dfq s THR 234 N 3.00 0.08 0.84 3.92 -4.23 -1.26 -4.50 115.64 113.48 3dfq s THR 234 Ca 0.28 -1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 3dfq s THR 234 Cb -0.13 -2.01 0.09 0.00 1.34 0.00 0.00 72.50 71.79 3dfq s THR 234 CO 0.17 -0.34 1.10 -2.16 -0.54 0.00 0.00 174.62 172.85 3dfq s PRO 235 N -4.03 1.74 0.70 3.99 0.04 -1.26 -4.57 135.00 131.62 3dfq s PRO 235 Ca 0.23 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 3dfq s PRO 235 Cb 0.06 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.74 3dfq s PRO 235 CO 0.02 -1.86 1.22 0.20 0.04 0.00 0.00 177.00 176.62 3dfq s GLY 236 N -3.79 2.47 0.66 0.56 0.00 0.15 -4.87 107.32 102.50 3dfq s GLY 236 Ca 0.62 0.95 0.40 0.00 0.00 0.00 0.00 44.72 46.68 3dfq s GLY 236 CO 0.55 1.36 2.27 0.84 0.00 0.00 0.00 173.10 178.12 3dfq h HIS 237 N -0.02 0.00 -0.37 1.90 2.76 -0.49 -0.47 115.15 118.46 3dfq h HIS 237 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 3dfq h HIS 237 Cb 1.30 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.26 3dfq h HIS 237 CO 0.46 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.09 3dfq n ALA 238 N -2.09 2.24 -1.81 5.26 0.00 0.03 -5.01 120.51 119.13 3dfq n ALA 238 Ca -0.03 -1.11 -0.41 0.00 0.00 0.00 0.00 53.44 51.90 3dfq n ALA 238 Cb 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 3dfq n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dfq h THR 240 N 3.20 1.51 -3.01 0.00 1.35 -1.89 -3.46 112.91 110.61 3dfq h THR 240 Ca -0.48 -2.29 -0.53 0.00 -0.55 0.00 0.00 66.41 62.56 3dfq h THR 240 Cb 1.23 2.96 0.06 0.00 -1.73 0.00 0.00 68.15 70.67 3dfq h THR 240 CO 0.69 0.65 0.91 -1.58 -0.25 0.00 0.00 175.52 175.94 3dfq s GLN 241 N -2.77 4.16 0.18 4.72 0.74 -1.26 -5.00 119.66 120.43 3dfq s GLN 241 Ca -0.14 2.51 -0.03 0.00 0.05 0.00 0.00 55.36 57.75 3dfq s GLN 241 Cb 0.01 -3.08 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 3dfq s GLN 241 CO 0.81 -0.64 0.39 0.15 -0.55 0.00 0.00 175.29 175.45 3dfq s LYS 242 N 0.42 3.57 0.08 1.67 -0.14 -1.26 -4.98 119.74 119.09 3dfq s LYS 242 Ca 0.68 -0.20 0.02 0.00 -1.36 0.00 0.00 55.97 55.11 3dfq s LYS 242 Cb -0.47 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 3dfq s LYS 242 CO 0.39 0.42 -0.07 0.71 -0.76 0.00 0.00 175.35 176.04 3dfq s TYR 243 N -1.78 0.84 0.54 3.18 2.02 -1.26 -5.14 117.35 115.76 3dfq s TYR 243 Ca 0.40 -0.76 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3dfq s TYR 243 Cb -0.12 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.97 3dfq s TYR 243 CO 0.27 -0.11 0.80 -1.54 -1.57 0.00 0.00 175.55 173.40 3dfq s SER 244 N -2.54 5.54 0.39 2.29 1.04 -1.26 -4.96 113.70 114.20 3dfq s SER 244 Ca 0.05 0.39 0.11 0.00 0.48 0.00 0.00 55.95 56.98 3dfq s SER 244 Cb -0.00 -1.42 0.79 0.00 0.10 0.00 0.00 66.02 65.49 3dfq s SER 244 CO -0.03 -1.00 1.90 0.45 0.98 0.00 0.00 173.24 175.54 3dfq h HIS 245 N 0.04 0.14 -0.40 5.02 3.86 -1.99 -2.05 115.15 119.77 3dfq h HIS 245 Ca -0.45 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 58.63 3dfq h HIS 245 Cb 1.27 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 3dfq h HIS 245 CO 0.43 0.35 -0.19 0.93 0.86 0.00 0.00 177.93 180.31 3dfq h GLU 246 N 0.13 0.78 -0.32 2.45 3.07 -1.93 -0.18 114.58 118.57 3dfq h GLU 246 Ca 0.02 -0.30 -0.16 0.00 -0.50 0.00 0.00 59.36 58.43 3dfq h GLU 246 Cb 0.45 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3dfq h GLU 246 CO 0.03 0.91 -0.41 0.93 -1.40 0.00 0.00 179.01 179.07 3dfq h GLU 247 N 0.69 0.84 -0.69 2.33 5.08 -1.83 -0.14 114.58 120.86 3dfq h GLU 247 Ca 0.10 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3dfq h GLU 247 Cb 0.69 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3dfq h GLU 247 CO 0.05 1.11 0.34 0.82 -1.00 0.00 0.00 179.01 180.33 3dfq h ILE 248 N 0.62 1.23 -0.41 3.13 2.04 -1.22 -1.05 117.51 121.85 3dfq h ILE 248 Ca 0.04 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 3dfq h ILE 248 Cb 1.00 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3dfq h ILE 248 CO 0.10 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.63 3dfq h ALA 249 N 1.16 0.54 -0.44 1.87 0.00 -0.84 -1.17 119.26 120.39 3dfq h ALA 249 Ca 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dfq h ALA 249 Cb 0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dfq h ALA 249 CO -0.03 0.20 0.20 1.98 0.00 0.00 0.00 179.25 181.60 3dfq h MET 250 N 0.53 0.63 -0.68 0.00 1.85 -0.76 -0.13 114.93 116.37 3dfq h MET 250 Ca 0.13 -0.10 -0.07 0.00 -0.61 0.00 0.00 59.70 59.05 3dfq h MET 250 Cb 0.28 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.17 3dfq h MET 250 CO -0.00 0.56 0.13 0.00 -0.40 0.00 0.00 176.91 177.20 3dfq h ALA 251 N 1.05 0.95 0.18 0.39 0.00 -1.11 -0.39 119.26 120.32 3dfq h ALA 251 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3dfq h ALA 251 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dfq h ALA 251 CO -0.02 0.66 -0.08 1.15 0.00 0.00 0.00 179.25 180.96 3dfq h THR 252 N 1.04 0.94 -0.35 0.00 2.02 -0.99 -1.88 112.91 113.69 3dfq h THR 252 Ca 0.21 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 3dfq h THR 252 Cb 0.41 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3dfq h THR 252 CO 0.01 0.15 -0.01 0.58 0.37 0.00 0.00 175.52 176.62 3dfq h VAL 253 N -0.55 1.20 -0.23 3.16 2.07 -1.00 -1.91 116.25 118.99 3dfq h VAL 253 Ca -0.02 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 3dfq h VAL 253 Cb 0.42 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3dfq h VAL 253 CO 0.04 0.28 -0.04 0.74 0.02 0.00 0.00 177.57 178.60 3dfq h THR 254 N 0.52 1.28 -0.66 2.57 2.02 -1.04 -0.09 112.91 117.51 3dfq h THR 254 Ca 0.11 -1.02 0.02 0.00 0.77 0.00 0.00 66.41 66.29 3dfq h THR 254 Cb 0.35 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3dfq h THR 254 CO 0.01 0.32 0.42 0.00 0.37 0.00 0.00 175.52 176.64 3dfq h ALA 255 N 0.76 0.86 -0.44 6.16 0.00 -1.10 -1.72 119.26 123.78 3dfq h ALA 255 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3dfq h ALA 255 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dfq h ALA 255 CO 0.02 0.20 0.03 -0.07 0.00 0.00 0.00 179.25 179.43 3dfq h LEU 256 N 0.83 0.73 -1.82 0.00 3.38 -1.21 -2.80 115.31 114.43 3dfq h LEU 256 Ca 0.26 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3dfq h LEU 256 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3dfq h LEU 256 CO -0.09 0.84 -0.12 0.03 0.09 0.00 0.00 178.44 179.19 3dfq h ARG 257 N 0.61 0.00 -0.00 1.13 3.08 -0.67 0.34 114.38 118.86 3dfq h ARG 257 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3dfq h ARG 257 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3dfq h ARG 257 CO 0.02 0.12 -0.15 0.54 -1.07 0.00 0.00 179.97 179.42 3dfq n ARG 258 N -4.29 0.54 0.00 0.04 1.74 -0.68 -4.55 116.66 109.46 3dfq n ARG 258 Ca -0.03 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 3dfq n ARG 258 Cb 0.19 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3dfq n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dfq n THR 259 N -1.06 0.00 -3.00 0.55 -2.24 -0.91 -5.00 114.28 102.62 3dfq n THR 259 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 3dfq n THR 259 Cb 0.30 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 3dfq n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dfq s VAL 260 N -1.17 4.76 0.48 2.28 1.01 0.06 -4.80 120.40 123.03 3dfq s VAL 260 Ca 0.00 0.66 -0.24 0.00 0.00 0.00 0.00 61.98 62.40 3dfq s VAL 260 Cb 0.00 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 3dfq s VAL 260 CO 0.00 -0.48 1.35 -2.65 0.00 0.00 0.00 175.10 173.32 3dfq n PRO 261 N 6.39 1.93 0.14 2.72 -0.02 -1.26 -4.84 135.00 140.07 3dfq n PRO 261 Ca 0.02 0.70 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 3dfq n PRO 261 Cb 0.48 -2.53 0.78 0.00 -0.02 0.00 0.00 33.50 32.21 3dfq n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dfq h PRO 262 N 1.89 0.00 0.00 0.52 0.11 -1.96 -1.71 132.00 130.84 3dfq h PRO 262 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3dfq h PRO 262 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dfq h PRO 262 CO 0.59 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.31 3dfq h ALA 263 N 1.69 1.50 -2.44 -0.75 0.00 -1.90 -3.42 119.26 113.93 3dfq h ALA 263 Ca 0.14 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 54.46 3dfq h ALA 263 Cb 0.73 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.54 3dfq h ALA 263 CO -0.00 0.09 1.12 0.08 0.00 0.00 0.00 179.25 180.54 3dfq s VAL 264 N -4.51 2.81 0.23 0.00 1.01 -0.65 -3.35 120.40 115.95 3dfq s VAL 264 Ca -0.04 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 3dfq s VAL 264 Cb 0.15 -3.10 0.18 0.00 0.00 0.00 0.00 36.38 33.60 3dfq s VAL 264 CO 0.59 -0.00 1.81 0.74 0.00 0.00 0.00 175.10 178.24 3dfq h THR 265 N 5.02 1.26 -2.35 3.92 2.02 -1.67 -3.44 112.91 117.67 3dfq h THR 265 Ca -0.46 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.04 3dfq h THR 265 Cb 1.22 0.24 -0.15 0.00 -1.74 0.00 0.00 68.15 67.71 3dfq h THR 265 CO 0.94 0.32 0.44 -0.83 0.37 0.00 0.00 175.52 176.76 3dfq s GLY 266 N -3.34 -0.48 -0.20 2.16 0.00 -1.26 -3.28 107.32 100.92 3dfq s GLY 266 Ca -0.12 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.58 3dfq s GLY 266 CO 0.83 0.37 -0.13 0.14 0.00 0.00 0.00 173.10 174.31 3dfq s VAL 267 N -3.05 2.63 -0.48 1.40 1.01 0.47 -1.39 120.40 120.99 3dfq s VAL 267 Ca 0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3dfq s VAL 267 Cb -0.01 -2.16 0.13 0.00 0.00 0.00 0.00 36.38 34.34 3dfq s VAL 267 CO -0.09 0.49 0.28 0.42 0.00 0.00 0.00 175.10 176.20 3dfq s THR 268 N 1.37 3.35 0.37 3.92 -4.23 0.11 -1.16 115.64 119.36 3dfq s THR 268 Ca 0.05 -2.44 -0.28 0.00 -1.18 0.00 0.00 61.69 57.84 3dfq s THR 268 Cb -0.14 -3.26 -0.11 0.00 1.34 0.00 0.00 72.50 70.33 3dfq s THR 268 CO -0.09 -0.76 1.45 -0.36 -0.54 0.00 0.00 174.62 174.33 3dfq s PHE 269 N 0.65 2.66 0.21 3.99 0.08 -0.66 -4.16 117.98 120.76 3dfq s PHE 269 Ca 0.12 1.21 -0.09 0.00 0.12 0.00 0.00 56.93 58.29 3dfq s PHE 269 Cb -0.22 -3.96 -0.07 0.00 -0.57 0.00 0.00 43.02 38.20 3dfq s PHE 269 CO -0.04 -2.80 0.52 -0.48 -0.10 0.00 0.00 175.22 172.33 3dfq s LEU 270 N -2.07 4.20 0.07 -0.37 0.05 -0.99 -1.78 118.68 117.80 3dfq s LEU 270 Ca 0.52 0.89 0.24 0.00 0.05 0.00 0.00 54.13 55.83 3dfq s LEU 270 Cb -0.45 -3.58 0.37 0.00 -2.05 0.00 0.00 46.19 40.47 3dfq s LEU 270 CO 0.61 -0.04 1.32 -1.54 -0.55 0.00 0.00 176.35 176.15 3dfq n SER 271 N -0.01 0.61 0.00 1.48 3.41 -1.26 -4.30 113.62 113.55 3dfq n SER 271 Ca -0.01 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3dfq n SER 271 Cb 0.52 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3dfq n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfq n GLY 272 N 1.39 3.70 0.93 5.00 0.00 -1.26 -1.82 105.19 113.13 3dfq n GLY 272 Ca 0.04 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3dfq n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfq n GLY 273 N 0.00 2.92 3.76 -0.02 0.00 -1.26 -4.77 105.19 105.82 3dfq n GLY 273 Ca 0.00 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3dfq n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dfq s GLN 274 N -1.40 3.32 0.90 1.61 -0.21 -0.75 -1.13 119.66 121.99 3dfq s GLN 274 Ca 0.34 1.93 -0.12 0.00 0.02 0.00 0.00 55.36 57.53 3dfq s GLN 274 Cb 0.21 -2.21 0.13 0.00 1.00 0.00 0.00 33.01 32.14 3dfq s GLN 274 CO 0.19 -0.95 1.10 -1.54 -2.12 0.00 0.00 175.29 171.97 3dfq s SER 275 N -1.31 3.52 0.17 5.90 1.04 -1.26 -4.16 113.70 117.60 3dfq s SER 275 Ca 0.70 1.26 -0.14 0.00 0.48 0.00 0.00 55.95 58.26 3dfq s SER 275 Cb -0.33 -1.93 0.12 0.00 0.10 0.00 0.00 66.02 63.98 3dfq s SER 275 CO 0.38 -2.58 1.76 -0.33 0.98 0.00 0.00 173.24 173.45 3dfq h GLU 276 N -1.51 0.37 -0.26 4.02 5.08 -1.68 -0.31 114.58 120.28 3dfq h GLU 276 Ca -0.50 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3dfq h GLU 276 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dfq h GLU 276 CO 0.58 0.24 -0.01 1.49 -1.00 0.00 0.00 179.01 180.31 3dfq h GLU 277 N 0.38 0.47 -0.66 2.33 4.57 -1.19 -2.53 114.58 117.96 3dfq h GLU 277 Ca 0.21 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3dfq h GLU 277 Cb 0.17 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.68 3dfq h GLU 277 CO -0.19 0.64 0.42 1.49 -1.18 0.00 0.00 179.01 180.20 3dfq h GLU 278 N 0.25 0.81 -0.56 1.92 4.81 -1.71 0.13 114.58 120.23 3dfq h GLU 278 Ca 0.07 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3dfq h GLU 278 Cb 0.44 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3dfq h GLU 278 CO 0.02 0.54 0.18 0.00 -0.73 0.00 0.00 179.01 179.01 3dfq h ALA 279 N 1.27 1.27 -0.11 2.92 0.00 -1.00 -0.27 119.26 123.34 3dfq h ALA 279 Ca 0.25 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3dfq h ALA 279 Cb -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3dfq h ALA 279 CO -0.08 0.52 -0.44 0.77 0.00 0.00 0.00 179.25 180.02 3dfq h SER 280 N 0.81 0.57 -0.53 0.00 0.02 -0.94 -2.37 113.55 111.11 3dfq h SER 280 Ca 0.19 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3dfq h SER 280 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3dfq h SER 280 CO -0.01 1.10 0.26 0.40 -1.14 0.00 0.00 176.83 177.45 3dfq h ILE 281 N 0.07 1.19 -0.45 3.27 2.04 -0.54 -1.04 117.51 122.05 3dfq h ILE 281 Ca -0.02 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 3dfq h ILE 281 Cb 1.08 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3dfq h ILE 281 CO 0.09 0.22 -0.06 0.78 0.00 0.00 0.00 178.15 179.18 3dfq h ASN 282 N 0.71 0.83 -0.87 1.72 2.35 -1.11 -1.24 115.58 117.96 3dfq h ASN 282 Ca 0.18 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3dfq h ASN 282 Cb 0.10 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3dfq h ASN 282 CO -0.02 0.97 0.54 0.25 -1.65 0.00 0.00 177.43 177.52 3dfq h LEU 283 N 0.67 1.03 -0.17 1.61 5.85 -1.25 -0.30 115.31 122.75 3dfq h LEU 283 Ca 0.12 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3dfq h LEU 283 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3dfq h LEU 283 CO 0.04 0.78 0.06 -1.13 -0.34 0.00 0.00 178.44 177.84 3dfq h ASN 284 N 1.19 0.25 -0.79 1.25 -0.73 -0.91 -2.22 115.58 113.62 3dfq h ASN 284 Ca 0.31 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.32 3dfq h ASN 284 Cb -0.08 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.41 3dfq h ASN 284 CO -0.06 0.37 0.52 0.00 -0.37 0.00 0.00 177.43 177.90 3dfq h ALA 285 N 0.88 1.51 -0.41 1.57 0.00 -0.68 -1.50 119.26 120.63 3dfq h ALA 285 Ca 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dfq h ALA 285 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dfq h ALA 285 CO -0.00 0.42 0.22 0.82 0.00 0.00 0.00 179.25 180.70 3dfq h ILE 286 N 0.99 1.16 0.00 0.00 2.04 -0.80 -1.11 117.51 119.79 3dfq h ILE 286 Ca 0.31 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3dfq h ILE 286 Cb 0.02 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3dfq h ILE 286 CO -0.09 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.01 3dfq h ASN 287 N 0.53 0.00 0.06 1.72 2.35 -0.76 -2.52 115.58 116.97 3dfq h ASN 287 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3dfq h ASN 287 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3dfq h ASN 287 CO -0.02 0.00 -0.45 0.29 -1.65 0.00 0.00 177.43 175.60 3dfq n LYS 288 N -2.53 1.03 -1.71 0.81 5.02 -0.64 -4.74 118.16 115.41 3dfq n LYS 288 Ca 0.02 -0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 55.09 3dfq n LYS 288 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3dfq n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dfq h PRO 290 N 7.78 0.00 -7.20 0.00 0.11 -1.91 -3.45 132.00 127.33 3dfq h PRO 290 Ca -0.45 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.15 3dfq h PRO 290 Cb 1.21 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.45 3dfq h PRO 290 CO 0.95 0.00 0.37 -0.51 -0.21 0.00 0.00 178.00 178.60 3dfq s LEU 291 N -7.29 3.32 0.10 2.35 1.43 -1.26 -4.97 118.68 112.36 3dfq s LEU 291 Ca -0.04 2.11 -0.31 0.00 -1.03 0.00 0.00 54.13 54.86 3dfq s LEU 291 Cb 0.15 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 3dfq s LEU 291 CO 0.53 -1.92 1.27 -0.22 0.23 0.00 0.00 176.35 176.23 3dfq s LEU 292 N -5.09 4.38 -0.32 1.79 2.96 -1.26 -5.01 118.68 116.14 3dfq s LEU 292 Ca 0.69 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.77 3dfq s LEU 292 Cb -0.23 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 42.97 3dfq s LEU 292 CO 0.44 -0.52 0.07 -0.54 -1.32 0.00 0.00 176.35 174.48 3dfq s LYS 293 N 0.90 1.03 0.00 1.98 1.02 -1.26 -4.97 119.74 118.45 3dfq s LYS 293 Ca 0.60 -1.37 0.00 0.00 0.02 0.00 0.00 55.97 55.22 3dfq s LYS 293 Cb -0.33 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 3dfq s LYS 293 CO 0.31 -0.95 0.76 -0.35 -0.92 0.00 0.00 175.35 174.19 3dfq n PRO 294 N 4.62 0.83 -4.06 -1.68 -0.04 -1.26 -4.81 135.00 128.60 3dfq n PRO 294 Ca -0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 3dfq n PRO 294 Cb 0.42 -1.07 -0.10 0.00 -0.04 0.00 0.00 33.50 32.71 3dfq n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dfq s TRP 295 N -1.84 0.47 0.35 0.54 0.51 -1.26 -4.89 118.94 112.82 3dfq s TRP 295 Ca 0.00 -0.83 -0.28 0.00 -2.12 0.00 0.00 56.10 52.87 3dfq s TRP 295 Cb 0.00 -0.33 -0.10 0.00 -0.81 0.00 0.00 33.47 32.22 3dfq s TRP 295 CO 0.00 -0.27 1.37 0.00 -0.51 0.00 0.00 176.95 177.53 3dfq s ALA 296 N -2.86 3.52 -0.37 0.98 0.00 -1.20 -4.84 121.76 116.99 3dfq s ALA 296 Ca -0.02 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.34 3dfq s ALA 296 Cb 0.00 -3.52 0.11 0.00 0.00 0.00 0.00 23.12 19.70 3dfq s ALA 296 CO -0.06 -0.78 0.09 -0.51 0.00 0.00 0.00 175.76 174.50 3dfq s LEU 297 N -1.91 4.44 0.00 0.00 1.43 -1.26 -0.40 118.68 120.99 3dfq s LEU 297 Ca 0.50 -2.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.35 3dfq s LEU 297 Cb -0.42 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3dfq s LEU 297 CO 0.56 -0.36 0.00 1.07 0.23 0.00 0.00 176.35 177.86 3dfq n THR 298 N 4.11 0.00 -4.42 5.49 5.66 -0.31 -4.66 114.28 120.15 3dfq n THR 298 Ca 0.04 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.79 3dfq n THR 298 Cb 0.40 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.08 3dfq n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dfq s PHE 299 N 0.16 2.37 -0.44 1.09 -0.71 -1.26 -1.65 117.98 117.54 3dfq s PHE 299 Ca 0.00 -0.31 0.06 0.00 -1.04 0.00 0.00 56.93 55.63 3dfq s PHE 299 Cb 0.00 -1.08 0.19 0.00 -1.21 0.00 0.00 43.02 40.92 3dfq s PHE 299 CO 0.00 0.63 0.51 0.45 -1.34 0.00 0.00 175.22 175.47 3dfq n SER 300 N -0.36 -1.33 -4.79 1.98 2.88 -0.73 0.49 113.62 111.77 3dfq n SER 300 Ca -0.08 -2.63 -0.33 0.00 -1.33 0.00 0.00 58.87 54.50 3dfq n SER 300 Cb 0.58 0.20 -0.07 0.00 -0.75 0.00 0.00 64.21 64.17 3dfq n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dfq s TYR 301 N 0.12 3.31 0.00 0.66 2.02 -0.72 -4.39 117.35 118.35 3dfq s TYR 301 Ca 0.32 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 3dfq s TYR 301 Cb 0.06 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3dfq s TYR 301 CO -0.15 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 3dfq n GLY 302 N 1.24 0.10 0.36 0.71 0.00 -1.26 -0.40 105.19 105.93 3dfq n GLY 302 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3dfq n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfq h ARG 303 N 0.00 0.77 0.00 1.61 2.47 -1.96 -1.39 114.38 115.89 3dfq h ARG 303 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3dfq h ARG 303 Cb 0.00 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 3dfq h ARG 303 CO 0.00 0.51 0.00 0.00 0.56 0.00 0.00 179.97 181.04 3dfq n ALA 304 N -2.44 1.29 0.02 0.04 0.00 -1.26 -0.83 120.51 117.32 3dfq n ALA 304 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3dfq n ALA 304 Cb 0.25 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 3dfq n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dfq n LEU 305 N -1.81 0.02 -0.00 0.00 4.77 -0.60 -4.58 117.00 114.80 3dfq n LEU 305 Ca 0.01 -0.03 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 3dfq n LEU 305 Cb 0.09 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3dfq n LEU 305 CO 0.09 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 175.81 3dfq n GLN 306 N -1.70 1.34 -0.15 3.23 6.02 -0.75 -4.61 117.38 120.77 3dfq n GLN 306 Ca -0.01 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 56.78 3dfq n GLN 306 Cb 0.17 -1.27 -0.10 0.00 1.02 0.00 0.00 30.24 30.06 3dfq n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dfq h ALA 307 N 1.74 -0.75 -0.47 -1.58 0.00 -1.25 0.10 119.26 117.06 3dfq h ALA 307 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3dfq h ALA 307 Cb 0.51 1.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 3dfq h ALA 307 CO 0.00 -1.02 -0.09 0.77 0.00 0.00 0.00 179.25 178.92 3dfq h SER 308 N -0.36 0.83 -0.37 0.00 0.02 -1.85 -2.83 113.55 108.98 3dfq h SER 308 Ca 0.07 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3dfq h SER 308 Cb 0.56 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3dfq h SER 308 CO -0.59 0.94 0.11 0.00 -1.14 0.00 0.00 176.83 176.15 3dfq h ALA 309 N 1.13 0.49 -0.97 3.77 0.00 -1.67 -0.30 119.26 121.72 3dfq h ALA 309 Ca 0.13 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dfq h ALA 309 Cb 0.58 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3dfq h ALA 309 CO 0.04 0.14 0.63 1.25 0.00 0.00 0.00 179.25 181.31 3dfq h LEU 310 N 0.46 1.06 -0.13 0.00 7.12 -0.74 -1.18 115.31 121.90 3dfq h LEU 310 Ca 0.12 -0.01 -0.10 0.00 0.13 0.00 0.00 57.88 58.02 3dfq h LEU 310 Cb 0.26 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 3dfq h LEU 310 CO -0.00 0.73 -0.29 0.50 -0.13 0.00 0.00 178.44 179.24 3dfq h LYS 311 N 1.23 0.44 -0.17 1.25 3.64 -1.27 -2.45 116.57 119.24 3dfq h LYS 311 Ca 0.38 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3dfq h LYS 311 Cb -0.01 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3dfq h LYS 311 CO -0.12 0.90 0.05 0.00 -2.27 0.00 0.00 179.45 178.01 3dfq h ALA 312 N 0.54 1.78 0.24 5.00 0.00 -0.77 -3.00 119.26 123.05 3dfq h ALA 312 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dfq h ALA 312 Cb 0.89 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3dfq h ALA 312 CO 0.06 0.18 -0.12 2.35 0.00 0.00 0.00 179.25 181.73 3dfq h TRP 313 N 0.23 -0.30 -0.50 0.00 7.01 -1.20 -3.41 115.95 117.78 3dfq h TRP 313 Ca 0.06 -0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.84 3dfq h TRP 313 Cb 0.08 0.10 -0.09 0.00 -2.10 0.00 0.00 29.16 27.15 3dfq h TRP 313 CO 0.00 0.03 -0.20 0.41 -2.79 0.00 0.00 178.44 175.89 3dfq n GLY 314 N 0.57 1.07 2.62 2.65 0.00 -0.93 -1.86 105.19 109.32 3dfq n GLY 314 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3dfq n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfq n GLY 315 N -0.33 1.41 3.57 -0.02 0.00 -1.26 -4.80 105.19 103.76 3dfq n GLY 315 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3dfq n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfq s LYS 316 N -0.13 3.68 0.60 1.61 -0.14 -0.78 -4.92 119.74 119.67 3dfq s LYS 316 Ca 0.00 0.07 0.29 0.00 -1.36 0.00 0.00 55.97 54.97 3dfq s LYS 316 Cb 0.00 -3.81 1.50 0.00 -1.68 0.00 0.00 37.83 33.84 3dfq s LYS 316 CO 0.00 -0.75 1.90 0.87 -0.76 0.00 0.00 175.35 176.61 3dfq h LYS 317 N 8.47 0.00 0.00 1.68 1.57 -1.95 0.21 116.57 126.56 3dfq h LYS 317 Ca -0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3dfq h LYS 317 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 3dfq h LYS 317 CO 0.84 0.00 -0.06 1.05 -0.57 0.00 0.00 179.45 180.72 3dfq h GLU 318 N 0.00 0.00 -0.73 3.15 4.11 -1.92 -2.95 114.58 116.23 3dfq h GLU 318 Ca 0.16 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.53 3dfq h GLU 318 Cb 1.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 3dfq h GLU 318 CO -0.00 0.06 0.08 0.09 0.07 0.00 0.00 179.01 179.31 3dfq n ASN 319 N -3.17 4.46 0.13 3.06 3.02 0.74 -4.61 115.26 118.89 3dfq n ASN 319 Ca 0.01 -2.80 -0.10 0.00 -0.03 0.00 0.00 54.58 51.66 3dfq n ASN 319 Cb 0.35 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 3dfq n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dfq h LEU 320 N 2.72 -0.79 -0.63 3.41 5.85 -1.65 -0.33 115.31 123.88 3dfq h LEU 320 Ca 0.08 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.99 3dfq h LEU 320 Cb 1.77 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 42.99 3dfq h LEU 320 CO 0.46 -0.35 0.17 0.11 -0.34 0.00 0.00 178.44 178.49 3dfq h LYS 321 N -0.52 0.30 -0.26 1.25 1.79 -1.88 -0.70 116.57 116.56 3dfq h LYS 321 Ca -0.03 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 3dfq h LYS 321 Cb 0.46 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 3dfq h LYS 321 CO -0.07 0.20 0.04 0.00 -1.08 0.00 0.00 179.45 178.54 3dfq h ALA 322 N 1.49 0.26 -0.17 3.86 0.00 -1.84 -1.16 119.26 121.71 3dfq h ALA 322 Ca 0.33 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3dfq h ALA 322 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dfq h ALA 322 CO -0.40 -0.37 0.07 0.00 0.00 0.00 0.00 179.25 178.55 3dfq h ALA 323 N 1.19 0.22 -0.60 0.00 0.00 -0.32 -2.84 119.26 116.92 3dfq h ALA 323 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dfq h ALA 323 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dfq h ALA 323 CO -0.16 -0.19 0.40 1.96 0.00 0.00 0.00 179.25 181.25 3dfq h GLN 324 N 0.12 0.73 -0.74 0.00 4.20 -0.96 -1.74 115.11 116.71 3dfq h GLN 324 Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3dfq h GLN 324 Cb 0.16 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3dfq h GLN 324 CO -0.01 0.48 0.34 1.49 -0.67 0.00 0.00 178.83 180.47 3dfq h GLU 325 N 0.75 1.07 -0.36 1.46 4.57 -0.98 0.07 114.58 121.15 3dfq h GLU 325 Ca 0.23 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.15 3dfq h GLU 325 Cb 0.01 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3dfq h GLU 325 CO -0.06 0.84 -0.19 0.93 -1.18 0.00 0.00 179.01 179.34 3dfq h GLU 326 N 1.06 0.69 -0.02 1.92 4.39 -1.12 -1.59 114.58 119.91 3dfq h GLU 326 Ca 0.26 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dfq h GLU 326 Cb 0.13 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3dfq h GLU 326 CO -0.03 0.84 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.73 3dfq h TYR 327 N 0.61 0.04 -0.94 4.33 3.20 -1.03 -2.63 116.97 120.55 3dfq h TYR 327 Ca 0.09 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.06 3dfq h TYR 327 Cb 0.67 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 3dfq h TYR 327 CO 0.03 0.39 0.60 0.28 -1.64 0.00 0.00 178.16 177.83 3dfq h VAL 328 N -0.31 0.95 -0.53 1.81 2.07 -0.90 -0.18 116.25 119.16 3dfq h VAL 328 Ca 0.01 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3dfq h VAL 328 Cb 0.38 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3dfq h VAL 328 CO 0.00 0.17 0.27 0.11 0.02 0.00 0.00 177.57 178.15 3dfq h LYS 329 N 0.94 0.75 -0.11 1.57 1.57 -1.14 -0.68 116.57 119.47 3dfq h LYS 329 Ca 0.45 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 3dfq h LYS 329 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3dfq h LYS 329 CO -0.21 0.60 -0.56 0.00 -0.57 0.00 0.00 179.45 178.72 3dfq h ARG 330 N 0.71 0.34 -0.54 3.15 2.47 -0.96 -2.14 114.38 117.41 3dfq h ARG 330 Ca 0.18 -0.22 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 3dfq h ARG 330 Cb 0.09 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 3dfq h ARG 330 CO -0.03 0.81 0.09 0.00 0.56 0.00 0.00 179.97 181.40 3dfq h ALA 331 N 1.15 0.72 -0.60 0.04 0.00 -0.74 -1.48 119.26 118.35 3dfq h ALA 331 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3dfq h ALA 331 Cb 1.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3dfq h ALA 331 CO 0.09 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.77 3dfq h LEU 332 N 0.78 1.00 -0.21 0.00 3.38 -1.04 -0.73 115.31 118.49 3dfq h LEU 332 Ca 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3dfq h LEU 332 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dfq h LEU 332 CO 0.01 1.04 0.11 0.00 0.09 0.00 0.00 178.44 179.70 3dfq h ALA 333 N 0.99 0.27 0.00 1.53 0.00 -1.20 -1.87 119.26 118.98 3dfq h ALA 333 Ca 0.17 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3dfq h ALA 333 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3dfq h ALA 333 CO 0.02 -0.20 -0.43 -0.91 0.00 0.00 0.00 179.25 177.73 3dfq h ASN 334 N 0.23 0.00 -0.55 0.00 2.35 -1.18 0.11 115.58 116.53 3dfq h ASN 334 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 3dfq h ASN 334 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3dfq h ASN 334 CO -0.01 0.43 0.01 -1.28 -1.65 0.00 0.00 177.43 174.93 3dfq h SER 335 N 0.00 0.97 0.40 5.81 0.87 -0.83 0.13 113.55 120.91 3dfq h SER 335 Ca -0.00 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.10 3dfq h SER 335 Cb 0.87 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3dfq h SER 335 CO 0.06 1.02 -0.81 -0.07 -0.53 0.00 0.00 176.83 176.50 3dfq h LEU 336 N 0.92 0.39 -0.66 2.23 3.38 -0.89 -3.24 115.31 117.43 3dfq h LEU 336 Ca 0.17 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3dfq h LEU 336 Cb 0.52 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3dfq h LEU 336 CO 0.03 1.04 0.07 0.00 0.09 0.00 0.00 178.44 179.67 3dfq h ALA 337 N 0.94 0.88 0.00 1.53 0.00 -0.34 0.16 119.26 122.43 3dfq h ALA 337 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3dfq h ALA 337 Cb 1.41 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3dfq h ALA 337 CO 0.13 0.68 0.00 0.00 0.00 0.00 0.00 179.25 180.06 3dfq n GLN 339 N -0.56 1.21 -1.92 0.00 6.02 -0.80 -4.62 117.38 116.70 3dfq n GLN 339 Ca 0.02 -0.26 -0.08 0.00 -0.01 0.00 0.00 57.00 56.67 3dfq n GLN 339 Cb 0.01 -0.72 -0.01 0.00 1.02 0.00 0.00 30.24 30.54 3dfq n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dfq n GLY 340 N 0.25 0.28 0.20 1.08 0.00 -0.41 -4.93 105.19 101.66 3dfq n GLY 340 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.54 3dfq n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfq n LYS 341 N -2.05 1.33 -3.47 1.61 5.02 0.50 -4.89 118.16 116.22 3dfq n LYS 341 Ca -0.10 -2.73 -0.37 0.00 -2.02 0.00 0.00 58.31 53.09 3dfq n LYS 341 Cb 0.50 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.92 3dfq n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dfq s TYR 342 N -2.92 3.39 -0.23 2.13 5.04 -1.19 -4.79 117.35 118.78 3dfq s TYR 342 Ca 0.33 0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 55.48 3dfq s TYR 342 Cb 0.30 -2.43 0.08 0.00 0.35 0.00 0.00 41.96 40.25 3dfq s TYR 342 CO 0.01 0.08 0.09 0.99 -1.34 0.00 0.00 175.55 175.37 3dfq s THR 343 N 1.02 0.14 0.00 4.34 2.01 -1.26 -4.95 115.64 116.93 3dfq s THR 343 Ca 0.17 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.60 3dfq s THR 343 Cb -0.14 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.46 3dfq s THR 343 CO 0.06 -0.46 0.00 -2.65 -0.69 0.00 0.00 174.62 170.89 3dfq n PRO 344 N 5.18 0.00 -3.79 4.92 -0.02 -1.26 -4.86 135.00 135.17 3dfq n PRO 344 Ca -0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.11 3dfq n PRO 344 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.95 3dfq n PRO 344 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dfq n SER 345 N 0.00 -5.01 0.00 2.55 7.64 -1.26 -4.89 113.62 112.65 3dfq n SER 345 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.89 3dfq n SER 345 Cb 0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.88 3dfq n SER 345 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dfq n GLY 346 N -1.80 2.06 3.36 0.23 0.00 -1.26 -5.09 105.19 102.68 3dfq n GLY 346 Ca -0.19 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.08 3dfq n GLY 346 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3dfq s GLN 347 N 2.49 3.86 -0.29 1.61 -2.07 -1.26 -4.99 119.66 119.00 3dfq s GLN 347 Ca 0.00 -2.66 -0.00 0.00 -1.82 0.00 0.00 55.36 50.88 3dfq s GLN 347 Cb 0.00 -4.58 0.05 0.00 -1.09 0.00 0.00 33.01 27.39 3dfq s GLN 347 CO 0.00 -1.37 -0.03 0.00 -1.32 0.00 0.00 175.29 172.57 3dfq s ALA 348 N 0.07 2.74 0.93 2.60 0.00 -1.26 -5.10 121.76 121.74 3dfq s ALA 348 Ca 0.26 -1.76 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 3dfq s ALA 348 Cb -0.09 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 3dfq s ALA 348 CO -0.08 -1.24 -0.27 0.41 0.00 0.00 0.00 175.76 174.58 3dfq n GLY 349 N 4.57 -3.49 0.29 0.00 0.00 -1.26 -4.81 105.19 100.50 3dfq n GLY 349 Ca -0.13 -0.71 0.18 0.00 0.00 0.00 0.00 46.02 45.35 3dfq n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfq h ALA 350 N -1.07 1.07 -0.04 4.61 0.00 -1.99 -1.93 119.26 119.91 3dfq h ALA 350 Ca -0.44 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3dfq h ALA 350 Cb 1.31 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3dfq h ALA 350 CO 0.29 0.05 -0.39 0.00 0.00 0.00 0.00 179.25 179.20 3dfq h ALA 351 N 1.96 1.28 0.00 0.00 0.00 -1.97 -2.09 119.26 118.44 3dfq h ALA 351 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3dfq h ALA 351 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dfq h ALA 351 CO 0.01 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3dfq n ALA 352 N -2.47 2.14 0.68 0.00 0.00 -0.73 -2.87 120.51 117.26 3dfq n ALA 352 Ca -0.02 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.41 3dfq n ALA 352 Cb 0.44 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 3dfq n ALA 352 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dfq n SER 353 N -1.48 1.40 -4.73 0.00 2.88 -0.82 -0.59 113.62 110.28 3dfq n SER 353 Ca 0.06 -1.20 -0.41 0.00 -1.33 0.00 0.00 58.87 55.99 3dfq n SER 353 Cb 0.28 0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 64.27 3dfq n SER 353 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3dfq s GLU 354 N -1.93 4.69 0.16 -1.46 2.02 -1.03 -4.87 118.70 116.28 3dfq s GLU 354 Ca 0.11 1.52 -0.32 0.00 0.02 0.00 0.00 54.97 56.30 3dfq s GLU 354 Cb 0.12 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.90 3dfq s GLU 354 CO 0.42 0.20 1.64 0.45 0.02 0.00 0.00 175.26 178.00 3dfq s SER 355 N -0.11 6.52 -0.27 -0.19 0.15 -1.26 -4.21 113.70 114.33 3dfq s SER 355 Ca 0.47 2.67 0.13 0.00 0.70 0.00 0.00 55.95 59.92 3dfq s SER 355 Cb -0.25 -2.59 0.77 0.00 -1.71 0.00 0.00 66.02 62.24 3dfq s SER 355 CO 0.31 -0.88 1.74 0.18 1.20 0.00 0.00 173.24 175.79 3dfq n LEU 356 N 4.32 5.71 -4.74 3.45 4.77 -0.29 -4.94 117.00 125.28 3dfq n LEU 356 Ca 0.15 -3.07 -0.40 0.00 -0.03 0.00 0.00 56.01 52.66 3dfq n LEU 356 Cb 0.38 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 3dfq n LEU 356 CO 0.63 0.71 0.71 0.12 -1.33 0.00 0.00 177.39 178.23 3dfq s PHE 357 N -2.87 3.78 -0.06 -1.77 2.19 -0.70 -4.57 117.98 113.98 3dfq s PHE 357 Ca 0.54 1.78 -0.01 0.00 0.33 0.00 0.00 56.93 59.57 3dfq s PHE 357 Cb 0.42 -3.12 0.03 0.00 -1.31 0.00 0.00 43.02 39.04 3dfq s PHE 357 CO 0.14 -0.03 0.01 0.42 1.83 0.00 0.00 175.22 177.59 3dfq s ILE 358 N -0.74 0.29 0.36 3.12 1.01 -1.26 -5.05 121.20 118.93 3dfq s ILE 358 Ca 0.45 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 3dfq s ILE 358 Cb -0.27 -0.44 -0.11 0.00 0.01 0.00 0.00 42.46 41.64 3dfq s ILE 358 CO 0.34 0.23 1.46 -1.20 0.00 0.00 0.00 174.94 175.76 3dfq n SER 359 N 4.90 3.56 -4.63 3.58 7.64 -1.26 -4.89 113.62 122.53 3dfq n SER 359 Ca -0.11 1.21 -0.43 0.00 1.01 0.00 0.00 58.87 60.55 3dfq n SER 359 Cb 0.50 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 3dfq n SER 359 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3dfq s ASN 360 N -0.08 6.28 0.00 6.43 3.84 -1.26 -5.21 114.94 124.94 3dfq s ASN 360 Ca 0.55 1.68 0.27 0.00 0.21 0.00 0.00 52.86 55.57 3dfq s ASN 360 Cb -0.50 -2.53 0.76 0.00 -0.55 0.00 0.00 41.25 38.43 3dfq s ASN 360 CO 0.61 -1.33 1.58 1.41 -2.79 0.00 0.00 177.10 176.59