#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiu h GLN 5 N 0.00 0.00 0.31 1.61 5.75 -2.05 -2.46 115.11 118.27 3hiu h GLN 5 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3hiu h GLN 5 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3hiu h GLN 5 CO 0.00 0.49 -0.15 0.66 -2.65 0.00 0.00 178.83 177.18 3hiu h SER 6 N 0.00 -0.35 -0.59 -0.69 4.64 -1.97 -0.47 113.55 114.12 3hiu h SER 6 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3hiu h SER 6 Cb 1.02 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.17 3hiu h SER 6 CO 0.06 -0.17 0.36 -0.09 -0.87 0.00 0.00 176.83 176.12 3hiu h ARG 7 N -0.51 0.81 0.00 4.77 2.43 -1.90 -2.18 114.38 117.80 3hiu h ARG 7 Ca -0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3hiu h ARG 7 Cb 0.38 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3hiu h ARG 7 CO 0.07 0.58 -0.02 0.39 -1.51 0.00 0.00 179.97 179.48 3hiu n GLU 8 N -4.62 0.00 0.07 0.20 4.71 -0.93 -0.23 120.64 119.83 3hiu n GLU 8 Ca 0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.97 3hiu n GLU 8 Cb 0.06 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 28.83 3hiu n GLU 8 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hiu h ARG 9 N 0.00 0.37 -0.12 3.49 9.65 -0.89 -2.46 114.38 124.43 3hiu h ARG 9 Ca 0.00 -0.64 0.03 0.00 -1.10 0.00 0.00 59.98 58.27 3hiu h ARG 9 Cb 0.50 0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.29 3hiu h ARG 9 CO 0.00 1.30 -0.06 1.25 2.80 0.00 0.00 179.97 185.27 3hiu h LEU 10 N -0.06 -0.19 -0.79 3.80 6.46 -1.12 -0.83 115.31 122.58 3hiu h LEU 10 Ca -0.29 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.55 3hiu h LEU 10 Cb 1.96 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 41.95 3hiu h LEU 10 CO 0.16 -0.08 0.50 0.58 -0.62 0.00 0.00 178.44 178.98 3hiu h VAL 11 N -0.04 1.11 -0.25 1.05 2.07 -0.75 0.27 116.25 119.70 3hiu h VAL 11 Ca 0.07 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3hiu h VAL 11 Cb 0.14 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 29.93 3hiu h VAL 11 CO -0.15 0.18 -0.06 0.50 0.02 0.00 0.00 177.57 178.06 3hiu h LYS 12 N 0.97 0.01 0.00 1.57 3.11 -0.93 -0.93 116.57 120.37 3hiu h LYS 12 Ca 0.32 -0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.98 3hiu h LYS 12 Cb 0.03 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 3hiu h LYS 12 CO -0.12 0.01 -0.84 -1.49 -2.81 0.00 0.00 179.45 174.20 3hiu h TRP 13 N 0.01 0.05 -0.84 1.91 6.55 -0.88 -2.85 115.95 119.89 3hiu h TRP 13 Ca 0.12 -0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.94 3hiu h TRP 13 Cb 0.18 -0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 28.43 3hiu h TRP 13 CO -0.25 0.86 0.55 -0.07 -1.05 0.00 0.00 178.44 178.48 3hiu h LEU 14 N 0.02 0.96 -0.65 -4.49 3.38 -0.29 -2.39 115.31 111.85 3hiu h LEU 14 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3hiu h LEU 14 Cb 1.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3hiu h LEU 14 CO 0.11 0.69 0.06 1.56 0.09 0.00 0.00 178.44 180.96 3hiu h GLN 15 N 1.13 1.10 0.03 1.13 4.20 -1.08 -1.31 115.11 120.31 3hiu h GLN 15 Ca 0.31 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hiu h GLN 15 Cb -0.12 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3hiu h GLN 15 CO -0.07 1.03 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.51 3hiu h ASP 16 N 1.01 -0.50 -0.61 1.46 3.32 -1.35 -2.67 116.42 117.08 3hiu h ASP 16 Ca 0.19 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.31 3hiu h ASP 16 Cb 0.49 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3hiu h ASP 16 CO 0.02 -0.24 0.37 0.00 -1.72 0.00 0.00 179.24 177.67 3hiu h ALA 17 N 0.60 0.77 -0.97 3.45 0.00 -1.32 -2.06 119.26 119.73 3hiu h ALA 17 Ca 0.05 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3hiu h ALA 17 Cb 0.35 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 3hiu h ALA 17 CO -0.14 0.24 0.59 -0.92 0.00 0.00 0.00 179.25 179.02 3hiu h TYR 18 N 0.82 1.06 0.00 0.00 3.20 -1.08 0.42 116.97 121.40 3hiu h TYR 18 Ca 0.22 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hiu h TYR 18 Cb -0.04 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 37.91 3hiu h TYR 18 CO -0.02 0.36 0.00 0.00 -1.64 0.00 0.00 178.16 176.85 3hiu n ALA 19 N -2.35 2.99 0.00 1.82 0.00 -0.77 -2.59 120.51 119.60 3hiu n ALA 19 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3hiu n ALA 19 Cb 0.42 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3hiu n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hiu n GLU 21 N 0.90 0.00 0.08 0.00 -0.58 0.15 -1.87 120.64 119.31 3hiu n GLU 21 Ca 0.00 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 3hiu n GLU 21 Cb 0.48 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.27 3hiu n GLU 21 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3hiu h LYS 22 N 0.00 0.42 -0.29 3.49 1.79 -1.74 -0.93 116.57 119.31 3hiu h LYS 22 Ca 0.00 -0.50 -0.16 0.00 -2.18 0.00 0.00 60.65 57.81 3hiu h LYS 22 Cb 0.00 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3hiu h LYS 22 CO 0.00 1.17 -0.46 1.49 -1.08 0.00 0.00 179.45 180.57 3hiu h GLU 23 N 0.21 0.76 -0.15 3.15 4.81 -1.68 -2.29 114.58 119.39 3hiu h GLU 23 Ca -0.11 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3hiu h GLU 23 Cb 1.70 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.10 3hiu h GLU 23 CO 0.18 1.05 0.06 0.00 -0.73 0.00 0.00 179.01 179.57 3hiu h ALA 24 N 0.88 0.19 -0.59 2.92 0.00 -1.82 -3.09 119.26 117.75 3hiu h ALA 24 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hiu h ALA 24 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3hiu h ALA 24 CO 0.10 -0.23 0.39 1.49 0.00 0.00 0.00 179.25 180.99 3hiu h GLU 25 N 0.09 0.75 -4.91 0.00 4.81 -1.08 -3.40 114.58 110.84 3hiu h GLU 25 Ca 0.05 -0.05 -0.70 0.00 -0.13 0.00 0.00 59.36 58.54 3hiu h GLU 25 Cb 0.15 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 3hiu h GLU 25 CO -0.00 0.50 2.68 2.41 -0.73 0.00 0.00 179.01 183.86 3hiu n THR 26 N -4.45 3.70 -0.16 0.32 -1.04 -0.87 -4.63 114.28 107.14 3hiu n THR 26 Ca 0.06 -3.55 0.00 0.00 -2.04 0.00 0.00 64.05 58.52 3hiu n THR 26 Cb 0.06 -2.48 0.00 0.00 -1.82 0.00 0.00 70.33 66.09 3hiu n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hiu n ALA 29 N 7.22 0.00 -1.68 2.41 0.00 -1.26 -5.04 120.51 122.17 3hiu n ALA 29 Ca 0.51 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.73 3hiu n ALA 29 Cb 0.42 -0.34 0.09 0.00 0.00 0.00 0.00 19.45 19.62 3hiu n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hiu n ALA 30 N 0.66 5.18 0.00 0.00 0.00 -1.26 -4.28 120.51 120.81 3hiu n ALA 30 Ca 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.92 3hiu n ALA 30 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3hiu n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hiu n ALA 32 N -0.89 0.00 0.26 0.00 0.00 -1.26 -3.92 120.51 114.71 3hiu n ALA 32 Ca 0.46 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.04 3hiu n ALA 32 Cb 0.91 0.00 0.72 0.00 0.00 0.00 0.00 19.45 21.08 3hiu n ALA 32 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hiu h SER 33 N 0.00 0.00 0.19 0.00 0.02 -1.99 -3.14 113.55 108.63 3hiu h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hiu h SER 33 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3hiu h SER 33 CO 0.00 0.11 -0.49 0.54 -1.14 0.00 0.00 176.83 175.85 3hiu n ARG 34 N -3.45 0.60 -2.87 3.45 1.74 -1.25 -4.91 116.66 109.96 3hiu n ARG 34 Ca -0.01 -0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 56.23 3hiu n ARG 34 Cb 0.27 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.18 3hiu n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hiu s ILE 35 N -2.69 4.81 -0.04 0.55 1.01 -1.19 -4.87 121.20 118.77 3hiu s ILE 35 Ca 0.17 1.56 0.07 0.00 0.00 0.00 0.00 60.65 62.45 3hiu s ILE 35 Cb 0.18 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 3hiu s ILE 35 CO 0.63 -0.12 0.10 -0.62 0.00 0.00 0.00 174.94 174.94 3hiu n GLU 36 N 6.09 1.37 0.00 2.79 1.02 -1.26 -4.82 120.64 125.83 3hiu n GLU 36 Ca 0.06 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3hiu n GLU 36 Cb 0.47 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 3hiu n GLU 36 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hiu n HIS 37 N -1.98 0.00 -3.36 -0.32 8.25 -1.26 -4.86 115.22 111.69 3hiu n HIS 37 Ca -0.06 -0.34 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 3hiu n HIS 37 Cb 0.43 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 3hiu n HIS 37 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hiu n TYR 38 N -0.34 -0.58 -0.24 4.41 4.01 -1.26 -4.98 117.16 118.18 3hiu n TYR 38 Ca 0.00 -3.41 0.20 0.00 -0.16 0.00 0.00 57.90 54.53 3hiu n TYR 38 Cb 0.18 0.08 0.53 0.00 -0.31 0.00 0.00 39.34 39.82 3hiu n TYR 38 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hiu h PRO 39 N 5.22 0.35 0.42 -0.72 0.11 -1.95 -0.32 132.00 135.11 3hiu h PRO 39 Ca 0.22 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 3hiu h PRO 39 Cb 0.89 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3hiu h PRO 39 CO 0.41 0.23 -0.20 1.49 -0.21 0.00 0.00 178.00 179.72 3hiu h GLU 40 N 0.36 -0.55 -0.17 1.05 4.57 -1.98 0.90 114.58 118.76 3hiu h GLU 40 Ca 0.47 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.71 3hiu h GLU 40 Cb 1.25 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.94 3hiu h GLU 40 CO -0.17 -0.24 -0.17 1.25 -1.18 0.00 0.00 179.01 178.51 3hiu h LEU 41 N -0.94 -0.58 -0.53 1.64 6.46 -1.62 0.16 115.31 119.90 3hiu h LEU 41 Ca -0.06 0.08 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 3hiu h LEU 41 Cb 0.56 0.24 -0.09 0.00 -0.73 0.00 0.00 40.66 40.64 3hiu h LEU 41 CO 0.10 -0.10 -0.03 0.50 -0.62 0.00 0.00 178.44 178.28 3hiu h LYS 42 N -0.08 0.09 -0.95 1.25 3.64 -1.17 0.32 116.57 119.67 3hiu h LYS 42 Ca 0.03 -0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 3hiu h LYS 42 Cb 0.16 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 31.86 3hiu h LYS 42 CO -0.21 0.06 0.55 -0.09 -2.27 0.00 0.00 179.45 177.49 3hiu h ARG 43 N 0.09 0.73 0.08 1.90 2.43 -0.08 -2.02 114.38 117.51 3hiu h ARG 43 Ca 0.27 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3hiu h ARG 43 Cb 0.42 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hiu h ARG 43 CO -0.47 0.48 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.34 3hiu h ARG 44 N 0.75 -0.10 -0.90 0.20 1.12 0.25 -2.97 114.38 112.73 3hiu h ARG 44 Ca 0.52 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.46 3hiu h ARG 44 Cb 0.74 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.66 3hiu h ARG 44 CO -0.36 0.31 0.57 0.82 -3.11 0.00 0.00 179.97 178.20 3hiu h ILE 45 N -0.54 1.06 -0.46 1.20 1.08 -1.03 -1.81 117.51 117.01 3hiu h ILE 45 Ca -0.01 -0.35 0.06 0.00 -0.39 0.00 0.00 64.86 64.17 3hiu h ILE 45 Cb 0.46 -0.06 -0.05 0.00 -3.07 0.00 0.00 36.82 34.09 3hiu h ILE 45 CO 0.02 0.19 0.15 -0.33 -0.69 0.00 0.00 178.15 177.48 3hiu h GLU 46 N 1.03 0.30 -0.23 2.37 5.08 -1.37 0.12 114.58 121.88 3hiu h GLU 46 Ca 0.39 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 3hiu h GLU 46 Cb 0.16 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hiu h GLU 46 CO -0.17 0.20 0.11 0.37 -1.00 0.00 0.00 179.01 178.51 3hiu h GLN 47 N 0.31 0.32 0.00 2.33 4.15 -1.20 -2.50 115.11 118.51 3hiu h GLN 47 Ca 0.22 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 3hiu h GLN 47 Cb 0.24 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hiu h GLN 47 CO -0.24 0.26 -0.59 1.25 -1.93 0.00 0.00 178.83 177.58 3hiu h HIS 48 N 0.32 0.00 -0.35 3.99 2.76 -0.36 -2.36 115.15 119.16 3hiu h HIS 48 Ca 0.08 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 3hiu h HIS 48 Cb 0.05 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3hiu h HIS 48 CO 0.00 0.24 0.05 0.28 -1.30 0.00 0.00 177.93 177.20 3hiu h VAL 49 N 0.00 1.18 0.15 5.26 2.07 -0.37 0.50 116.25 125.04 3hiu h VAL 49 Ca -0.03 -0.66 -0.23 0.00 0.82 0.00 0.00 66.70 66.60 3hiu h VAL 49 Cb 1.20 0.86 0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3hiu h VAL 49 CO 0.03 0.23 -1.01 -0.33 0.02 0.00 0.00 177.57 176.51 3hiu h GLU 50 N 0.51 0.42 -0.61 1.57 4.39 -1.49 -2.88 114.58 116.50 3hiu h GLU 50 Ca 0.12 -0.65 0.08 0.00 0.34 0.00 0.00 59.36 59.24 3hiu h GLU 50 Cb 0.25 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 3hiu h GLU 50 CO 0.00 1.29 0.27 0.93 -1.16 0.00 0.00 179.01 180.35 3hiu h GLU 51 N -0.12 0.47 0.19 2.33 5.08 -1.34 -2.66 114.58 118.54 3hiu h GLU 51 Ca -0.17 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3hiu h GLU 51 Cb 1.77 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 3hiu h GLU 51 CO 0.19 0.31 -0.11 1.15 -1.00 0.00 0.00 179.01 179.56 3hiu h THR 52 N 0.49 0.77 -1.02 1.13 2.02 -0.95 -0.64 112.91 114.69 3hiu h THR 52 Ca 0.29 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.76 3hiu h THR 52 Cb 0.30 0.77 -0.13 0.00 -1.74 0.00 0.00 68.15 67.35 3hiu h THR 52 CO -0.25 0.00 0.61 1.56 0.37 0.00 0.00 175.52 177.81 3hiu h GLN 53 N -0.29 0.41 0.00 6.66 4.20 -1.36 0.45 115.11 125.20 3hiu h GLN 53 Ca -0.02 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3hiu h GLN 53 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hiu h GLN 53 CO 0.02 0.27 -0.31 1.96 -0.67 0.00 0.00 178.83 180.11 3hiu h GLN 54 N 0.43 0.00 0.22 1.46 4.20 -1.01 -2.91 115.11 117.50 3hiu h GLN 54 Ca 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.39 3hiu h GLN 54 Cb 1.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.30 3hiu h GLN 54 CO -0.51 0.31 -0.10 1.96 -0.67 0.00 0.00 178.83 179.82 3hiu h GLN 55 N 0.00 -0.28 -0.94 1.46 4.20 0.14 -2.18 115.11 117.51 3hiu h GLN 55 Ca -0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.83 3hiu h GLN 55 Cb 1.07 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.84 3hiu h GLN 55 CO 0.04 -0.19 0.60 0.66 -0.67 0.00 0.00 178.83 179.28 3hiu h SER 56 N -0.35 0.87 -0.10 1.46 4.64 -1.58 1.02 113.55 119.50 3hiu h SER 56 Ca -0.03 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3hiu h SER 56 Cb 0.22 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hiu h SER 56 CO 0.05 0.50 0.07 0.00 -0.87 0.00 0.00 176.83 176.58 3hiu h ALA 57 N 1.54 2.07 -0.00 5.18 0.00 -1.59 1.69 119.26 128.14 3hiu h ALA 57 Ca 0.44 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.10 3hiu h ALA 57 Cb 0.41 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.23 3hiu h ALA 57 CO -0.20 -0.12 -0.95 0.78 0.00 0.00 0.00 179.25 178.75 3hiu h GLY 58 N 0.00 0.73 1.01 0.00 0.00 0.15 -2.68 103.07 102.27 3hiu h GLY 58 Ca 0.05 -1.27 0.01 0.00 0.00 0.00 0.00 47.33 46.12 3hiu h GLY 58 CO -0.00 1.12 0.56 -2.08 0.00 0.00 0.00 176.54 176.14 3hiu h VAL 59 N 0.30 1.22 -0.32 4.60 2.07 0.25 -2.61 116.25 121.76 3hiu h VAL 59 Ca -0.12 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.89 3hiu h VAL 59 Cb 1.62 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3hiu h VAL 59 CO 0.19 0.21 -0.29 -0.61 0.02 0.00 0.00 177.57 177.09 3hiu h GLN 60 N 1.15 0.67 -0.55 1.57 4.15 0.24 0.12 115.11 122.46 3hiu h GLN 60 Ca 0.31 -0.29 0.08 0.00 0.77 0.00 0.00 58.65 59.52 3hiu h GLN 60 Cb -0.13 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 3hiu h GLN 60 CO -0.07 0.88 0.37 0.00 -1.93 0.00 0.00 178.83 178.08 3hiu h ARG 61 N 0.57 0.40 0.00 1.69 3.08 -1.28 0.28 114.38 119.13 3hiu h ARG 61 Ca 0.07 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 3hiu h ARG 61 Cb 0.78 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3hiu h ARG 61 CO 0.06 0.27 -0.76 0.00 -1.07 0.00 0.00 179.97 178.47 3hiu h LEU 63 N 0.00 0.35 -0.49 0.00 3.38 -0.01 -3.03 115.31 115.50 3hiu h LEU 63 Ca -0.01 -0.34 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3hiu h LEU 63 Cb 1.37 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 3hiu h LEU 63 CO 0.10 1.23 -0.33 -0.33 0.09 0.00 0.00 178.44 179.20 3hiu h GLU 64 N 0.09 0.88 -0.43 1.13 5.08 -0.47 -1.63 114.58 119.23 3hiu h GLU 64 Ca -0.09 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3hiu h GLU 64 Cb 1.82 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.04 3hiu h GLU 64 CO 0.18 1.08 0.24 1.25 -1.00 0.00 0.00 179.01 180.75 3hiu h LEU 65 N 0.74 0.37 -2.08 1.33 5.85 -1.30 -3.13 115.31 117.09 3hiu h LEU 65 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3hiu h LEU 65 Cb 0.90 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3hiu h LEU 65 CO 0.08 0.27 0.00 0.18 -0.34 0.00 0.00 178.44 178.63 3hiu n LEU 66 N -4.87 3.03 0.00 2.25 4.77 -1.14 -4.91 117.00 116.12 3hiu n LEU 66 Ca 0.02 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.48 3hiu n LEU 66 Cb 0.08 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3hiu n LEU 66 CO 0.32 0.76 0.00 0.59 -1.33 0.00 0.00 177.39 177.72 3hiu n ASN 67 N 1.16 0.00 -4.76 -1.43 3.02 -1.06 -4.99 115.26 107.19 3hiu n ASN 67 Ca 0.19 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.33 3hiu n ASN 67 Cb 0.48 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 3hiu n ASN 67 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hiu s GLY 68 N -2.00 3.00 0.88 7.41 0.00 -0.64 -4.98 107.32 110.99 3hiu s GLY 68 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.63 3hiu s GLY 68 CO 0.00 1.68 1.15 -1.35 0.00 0.00 0.00 173.10 174.57 3hiu s SER 69 N -0.65 3.81 -0.35 1.64 1.04 -1.26 -4.06 113.70 113.87 3hiu s SER 69 Ca 0.47 0.94 -0.07 0.00 0.48 0.00 0.00 55.95 57.76 3hiu s SER 69 Cb -0.35 -1.50 0.04 0.00 0.10 0.00 0.00 66.02 64.31 3hiu s SER 69 CO 0.45 -2.36 0.13 -0.63 0.98 0.00 0.00 173.24 171.81 3hiu s ILE 70 N -3.35 3.97 0.31 -1.02 1.09 -1.26 -4.88 121.20 116.07 3hiu s ILE 70 Ca 0.63 -1.09 -0.16 0.00 -1.10 0.00 0.00 60.65 58.93 3hiu s ILE 70 Cb -0.14 -3.25 -0.12 0.00 -1.06 0.00 0.00 42.46 37.89 3hiu s ILE 70 CO 0.52 -0.21 0.05 -2.65 -0.10 0.00 0.00 174.94 172.55 3hiu n PRO 71 N 4.85 0.00 -3.44 2.79 -0.02 -1.26 -4.95 135.00 132.98 3hiu n PRO 71 Ca -0.12 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.98 3hiu n PRO 71 Cb 0.45 -0.76 -0.08 0.00 -0.02 0.00 0.00 33.50 33.09 3hiu n PRO 71 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hiu s THR 72 N -1.30 5.22 0.31 3.45 -4.23 -1.26 -5.03 115.64 112.81 3hiu s THR 72 Ca 0.45 0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 61.28 3hiu s THR 72 Cb -0.48 -3.68 -0.13 0.00 1.34 0.00 0.00 72.50 69.55 3hiu s THR 72 CO 0.48 0.26 1.04 0.00 -0.54 0.00 0.00 174.62 175.86 3hiu n ALA 73 N 4.56 0.03 -2.64 3.99 0.00 -1.26 -5.02 120.51 120.17 3hiu n ALA 73 Ca -0.10 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3hiu n ALA 73 Cb 0.51 -2.06 -0.09 0.00 0.00 0.00 0.00 19.45 17.81 3hiu n ALA 73 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hiu s LYS 74 N -1.66 2.52 0.44 0.00 1.02 -1.26 -5.28 119.74 115.52 3hiu s LYS 74 Ca 0.59 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.67 3hiu s LYS 74 Cb -0.66 -2.51 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 3hiu s LYS 74 CO 0.60 0.57 0.84 0.20 -0.92 0.00 0.00 175.35 176.64 3hiu s GLY 75 N -1.85 1.96 0.00 -3.33 0.00 -1.26 -5.09 107.32 97.75 3hiu s GLY 75 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.83 3hiu s GLY 75 CO 0.12 0.12 0.00 -1.30 0.00 0.00 0.00 173.10 172.04 3hiu n THR 93 N -1.43 0.00 1.00 0.90 -2.24 -1.26 -5.17 114.28 106.09 3hiu n THR 93 Ca 0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3hiu n THR 93 Cb 0.54 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.84 3hiu n THR 93 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hiu n ASP 94 N 0.00 0.77 0.28 3.42 2.03 -1.26 -4.64 116.55 117.15 3hiu n ASP 94 Ca 0.00 -0.64 0.18 0.00 0.52 0.00 0.00 54.79 54.85 3hiu n ASP 94 Cb 0.00 0.61 0.95 0.00 -0.72 0.00 0.00 41.12 41.96 3hiu n ASP 94 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3hiu h GLU 95 N 0.06 0.00 0.19 -0.67 9.09 -2.01 -2.16 114.58 119.08 3hiu h GLU 95 Ca 0.00 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.09 3hiu h GLU 95 Cb 0.50 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.62 3hiu h GLU 95 CO 0.00 0.00 -1.52 -0.24 0.05 0.00 0.00 179.01 177.30 3hiu h VAL 96 N 0.00 1.11 -0.75 -1.06 3.04 -1.95 -1.52 116.25 115.12 3hiu h VAL 96 Ca 0.04 -2.54 -0.03 0.00 -1.01 0.00 0.00 66.70 63.15 3hiu h VAL 96 Cb 0.32 2.88 -0.03 0.00 -2.01 0.00 0.00 31.29 32.45 3hiu h VAL 96 CO -0.00 0.80 0.35 0.00 -1.01 0.00 0.00 177.57 177.71 3hiu h THR 97 N -0.01 1.24 0.00 3.17 1.03 -1.75 -2.24 112.91 114.35 3hiu h THR 97 Ca -0.29 -0.69 0.00 0.00 -0.01 0.00 0.00 66.41 65.42 3hiu h THR 97 Cb 2.01 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 3hiu h THR 97 CO 0.18 0.29 -0.29 0.29 -0.01 0.00 0.00 175.52 175.99 3hiu n LYS 98 N -4.39 0.27 0.07 0.00 4.76 -1.06 -2.68 118.16 115.14 3hiu n LYS 98 Ca 0.06 0.15 -0.19 0.00 -2.87 0.00 0.00 58.31 55.47 3hiu n LYS 98 Cb 0.14 -1.75 -0.10 0.00 -1.84 0.00 0.00 35.03 31.48 3hiu n LYS 98 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3hiu h GLY 99 N 4.53 0.62 2.00 0.72 0.00 -1.01 -1.81 103.07 108.11 3hiu h GLY 99 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.10 3hiu h GLY 99 CO 0.00 1.06 -0.15 -2.08 0.00 0.00 0.00 176.54 175.36 3hiu h VAL 100 N 0.27 0.62 0.06 4.60 2.07 -1.32 0.30 116.25 122.85 3hiu h VAL 100 Ca -0.14 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.57 3hiu h VAL 100 Cb 1.77 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 3hiu h VAL 100 CO 0.21 0.15 -0.58 1.23 0.02 0.00 0.00 177.57 178.60 3hiu h GLY 101 N 1.04 0.32 1.41 2.17 0.00 -1.38 -2.73 103.07 103.91 3hiu h GLY 101 Ca -0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.51 3hiu h GLY 101 CO 0.02 0.60 -0.41 -2.22 0.00 0.00 0.00 176.54 174.52 3hiu h ILE 102 N -0.38 1.30 -0.70 2.60 2.04 -1.22 -2.26 117.51 118.89 3hiu h ILE 102 Ca -0.09 -1.59 0.09 0.00 1.00 0.00 0.00 64.86 64.27 3hiu h ILE 102 Cb 1.38 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 3hiu h ILE 102 CO 0.11 0.51 0.35 0.28 0.00 0.00 0.00 178.15 179.39 3hiu h SER 103 N 0.53 0.45 -0.33 1.72 0.02 -0.48 0.06 113.55 115.51 3hiu h SER 103 Ca 0.04 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.91 3hiu h SER 103 Cb 0.94 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 3hiu h SER 103 CO 0.08 0.26 -0.35 0.22 -1.14 0.00 0.00 176.83 175.91 3hiu h TYR 104 N 0.59 0.98 -0.53 3.45 3.20 -1.34 -2.44 116.97 120.89 3hiu h TYR 104 Ca 0.34 -0.30 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3hiu h TYR 104 Cb 0.35 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3hiu h TYR 104 CO -0.11 1.09 -0.06 0.00 -1.64 0.00 0.00 178.16 177.44 3hiu h ALA 105 N 0.73 0.72 -0.50 1.82 0.00 -0.86 -2.37 119.26 118.79 3hiu h ALA 105 Ca 0.05 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3hiu h ALA 105 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3hiu h ALA 105 CO 0.09 0.59 -0.05 0.35 0.00 0.00 0.00 179.25 180.23 3hiu h PHE 106 N 0.84 0.96 0.00 0.00 3.04 -1.03 0.53 116.94 121.27 3hiu h PHE 106 Ca 0.14 -0.16 0.00 0.00 3.98 0.00 0.00 57.97 61.93 3hiu h PHE 106 Cb 0.61 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.87 3hiu h PHE 106 CO 0.04 0.89 0.00 0.93 -2.02 0.00 0.00 178.31 178.15 3hiu h GLU 107 N 0.80 0.00 0.02 1.11 4.39 -1.22 0.17 114.58 119.86 3hiu h GLU 107 Ca 0.14 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.53 3hiu h GLU 107 Cb 0.55 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 3hiu h GLU 107 CO 0.03 0.00 -1.81 0.72 -1.16 0.00 0.00 179.01 176.79 3hiu n HIS 108 N -3.03 0.98 -0.10 4.33 8.25 -0.82 -2.36 115.22 122.47 3hiu n HIS 108 Ca -0.01 0.32 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 3hiu n HIS 108 Cb 0.19 -1.17 0.01 0.00 1.12 0.00 0.00 29.99 30.14 3hiu n HIS 108 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hiu h LEU 109 N 0.01 -0.21 0.01 2.41 5.85 0.01 -1.70 115.31 121.69 3hiu h LEU 109 Ca -0.33 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hiu h LEU 109 Cb 2.03 0.17 0.00 0.00 0.37 0.00 0.00 40.66 43.23 3hiu h LEU 109 CO 0.08 -0.07 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.77 3hiu h GLU 110 N 0.06 -0.02 -0.07 1.25 5.08 -0.79 -1.96 114.58 118.14 3hiu h GLU 110 Ca 0.17 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3hiu h GLU 110 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3hiu h GLU 110 CO -0.32 -0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.42 3hiu h ILE 111 N -0.02 0.00 -0.83 3.13 2.04 -1.29 0.34 117.51 120.87 3hiu h ILE 111 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 3hiu h ILE 111 Cb 0.02 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.94 3hiu h ILE 111 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.03 3hiu h ALA 112 N -1.08 0.69 -0.46 1.87 0.00 -1.24 0.10 119.26 119.13 3hiu h ALA 112 Ca 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hiu h ALA 112 Cb 0.09 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hiu h ALA 112 CO -0.09 -0.43 0.26 0.77 0.00 0.00 0.00 179.25 179.76 3hiu h SER 113 N 0.03 0.57 0.18 0.00 0.02 -0.70 -1.84 113.55 111.79 3hiu h SER 113 Ca 0.43 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 61.15 3hiu h SER 113 Cb 0.72 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3hiu h SER 113 CO -0.82 0.48 -0.59 1.88 -1.14 0.00 0.00 176.83 176.65 3hiu h TYR 114 N 0.61 0.53 -0.35 3.45 0.05 0.68 0.18 116.97 122.12 3hiu h TYR 114 Ca 0.16 -0.20 0.05 0.00 0.05 0.00 0.00 58.73 58.79 3hiu h TYR 114 Cb 0.03 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 3hiu h TYR 114 CO -0.02 0.90 0.09 0.00 -1.05 0.00 0.00 178.16 178.08 3hiu h ARG 115 N 0.31 0.21 0.00 4.88 3.08 -0.67 -1.00 114.38 121.20 3hiu h ARG 115 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3hiu h ARG 115 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3hiu h ARG 115 CO 0.10 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 3hiu h ALA 116 N 1.24 1.00 -0.09 0.04 0.00 -0.95 -2.62 119.26 117.88 3hiu h ALA 116 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3hiu h ALA 116 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hiu h ALA 116 CO -0.19 0.00 -0.68 -0.07 0.00 0.00 0.00 179.25 178.31 3hiu h LEU 117 N 0.00 0.75 -2.08 0.00 3.38 -0.26 -2.37 115.31 114.73 3hiu h LEU 117 Ca 0.00 -0.67 0.09 0.00 0.09 0.00 0.00 57.88 57.39 3hiu h LEU 117 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hiu h LEU 117 CO 0.00 1.31 0.25 0.58 0.09 0.00 0.00 178.44 180.67 3hiu h VAL 118 N 0.26 0.67 0.23 1.22 2.07 -0.83 0.15 116.25 120.02 3hiu h VAL 118 Ca -0.06 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.12 3hiu h VAL 118 Cb 1.33 0.82 0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3hiu h VAL 118 CO 0.14 0.00 -1.57 0.58 0.02 0.00 0.00 177.57 176.73 3hiu h VAL 119 N 0.00 1.16 0.00 2.57 2.07 -1.48 -1.69 116.25 118.89 3hiu h VAL 119 Ca 0.14 -2.63 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 3hiu h VAL 119 Cb 0.65 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 3hiu h VAL 119 CO -0.00 0.83 -0.17 0.00 0.02 0.00 0.00 177.57 178.25 3hiu h ALA 120 N 0.13 1.02 0.07 1.67 0.00 -0.87 -1.57 119.26 119.71 3hiu h ALA 120 Ca -0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3hiu h ALA 120 Cb 2.14 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.91 3hiu h ALA 120 CO 0.24 0.21 -0.48 0.00 0.00 0.00 0.00 179.25 179.22 3hiu h ALA 121 N 1.83 -0.03 0.33 0.00 0.00 -0.80 -3.06 119.26 117.55 3hiu h ALA 121 Ca -0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hiu h ALA 121 Cb 0.70 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3hiu h ALA 121 CO 0.02 0.23 -0.31 0.00 0.00 0.00 0.00 179.25 179.19 3hiu h ARG 122 N -0.68 -0.64 -0.95 0.00 3.08 -1.24 -1.06 114.38 112.88 3hiu h ARG 122 Ca -0.09 0.04 0.24 0.00 0.07 0.00 0.00 59.98 60.24 3hiu h ARG 122 Cb 1.34 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.47 3hiu h ARG 122 CO 0.07 -0.43 0.64 1.03 -1.07 0.00 0.00 179.97 180.20 3hiu h SER 123 N -0.67 0.32 0.28 7.04 0.87 -1.45 0.47 113.55 120.41 3hiu h SER 123 Ca -0.02 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3hiu h SER 123 Cb 0.60 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3hiu h SER 123 CO -0.05 0.11 -0.07 0.00 -0.53 0.00 0.00 176.83 176.28 3hiu n ALA 124 N -2.56 2.71 -1.95 6.23 0.00 -0.77 -4.91 120.51 119.27 3hiu n ALA 124 Ca 0.21 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 3hiu n ALA 124 Cb 0.82 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 3hiu n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hiu n GLY 125 N 1.23 0.60 3.36 0.00 0.00 0.16 -4.92 105.19 105.62 3hiu n GLY 125 Ca 0.16 -0.17 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 3hiu n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hiu s GLU 126 N -4.23 3.96 0.35 1.61 0.41 -0.51 -4.89 118.70 115.40 3hiu s GLU 126 Ca 0.00 -2.78 0.18 0.00 -0.41 0.00 0.00 54.97 51.95 3hiu s GLU 126 Cb 0.00 -4.62 0.56 0.00 -1.78 0.00 0.00 34.13 28.29 3hiu s GLU 126 CO 0.00 -1.38 1.68 1.96 -0.49 0.00 0.00 175.26 177.03 3hiu h GLN 127 N 7.25 0.00 -0.25 1.61 1.08 -1.91 -2.44 115.11 120.44 3hiu h GLN 127 Ca 0.18 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.27 3hiu h GLN 127 Cb 0.94 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3hiu h GLN 127 CO 0.98 0.42 -0.26 0.93 -0.95 0.00 0.00 178.83 179.95 3hiu h GLU 128 N 0.00 0.62 -0.64 1.46 3.07 -1.96 -2.50 114.58 114.63 3hiu h GLU 128 Ca -0.00 -0.33 0.05 0.00 -0.50 0.00 0.00 59.36 58.58 3hiu h GLU 128 Cb 0.99 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.87 3hiu h GLU 128 CO 0.05 0.93 0.36 0.28 -1.40 0.00 0.00 179.01 179.23 3hiu h VAL 129 N 0.33 0.98 -0.69 3.13 2.07 -1.94 -2.47 116.25 117.67 3hiu h VAL 129 Ca 0.04 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3hiu h VAL 129 Cb 0.82 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3hiu h VAL 129 CO 0.06 0.12 0.46 0.00 0.02 0.00 0.00 177.57 178.23 3hiu h ALA 130 N 1.32 1.62 -0.06 1.67 0.00 -1.28 -1.85 119.26 120.68 3hiu h ALA 130 Ca 0.28 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3hiu h ALA 130 Cb 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hiu h ALA 130 CO -0.16 0.31 -0.07 0.37 0.00 0.00 0.00 179.25 179.69 3hiu h GLN 131 N 0.82 0.15 -0.86 0.00 -0.00 -1.06 -1.45 115.11 112.71 3hiu h GLN 131 Ca 0.28 -0.08 0.12 0.00 -0.00 0.00 0.00 58.65 58.97 3hiu h GLN 131 Cb 0.08 0.01 -0.14 0.00 0.00 0.00 0.00 27.48 27.43 3hiu h GLN 131 CO -0.08 0.62 -0.43 0.82 0.00 0.00 0.00 178.83 179.76 3hiu h ILE 132 N -0.32 0.04 -0.14 2.39 1.08 -1.01 -0.96 117.51 118.59 3hiu h ILE 132 Ca 0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 3hiu h ILE 132 Cb 0.60 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 3hiu h ILE 132 CO 0.02 0.00 -0.24 0.00 -0.69 0.00 0.00 178.15 177.23 3hiu h GLU 134 N 0.22 0.00 0.16 0.00 5.08 -0.25 -1.32 114.58 118.46 3hiu h GLU 134 Ca 0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 3hiu h GLU 134 Cb 0.56 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.83 3hiu h GLU 134 CO 0.04 0.47 -0.97 -0.44 -1.00 0.00 0.00 179.01 177.11 3hiu h ASP 135 N 0.00 0.58 -0.89 1.42 3.32 0.03 -2.16 116.42 118.72 3hiu h ASP 135 Ca -0.00 -0.93 0.03 0.00 0.02 0.00 0.00 57.03 56.15 3hiu h ASP 135 Cb 1.03 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 3hiu h ASP 135 CO 0.06 1.46 0.58 0.40 -1.72 0.00 0.00 179.24 180.02 3hiu h ILE 136 N -0.20 1.16 -0.44 0.35 2.04 -1.21 -2.89 117.51 116.31 3hiu h ILE 136 Ca -0.17 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3hiu h ILE 136 Cb 1.75 -0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 3hiu h ILE 136 CO 0.18 0.21 0.17 0.25 0.00 0.00 0.00 178.15 178.95 3hiu h LEU 137 N 1.12 0.19 -1.52 1.44 5.85 -1.17 -2.26 115.31 118.97 3hiu h LEU 137 Ca 0.35 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 3hiu h LEU 137 Cb -0.01 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3hiu h LEU 137 CO -0.11 0.14 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.47 3hiu h GLN 138 N 0.34 0.25 -0.19 1.25 -0.00 -1.19 -1.17 115.11 114.41 3hiu h GLN 138 Ca 0.20 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.67 3hiu h GLN 138 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 3hiu h GLN 138 CO -0.20 0.32 -0.47 1.96 0.00 0.00 0.00 178.83 180.44 3hiu h GLN 139 N 0.25 0.48 -0.29 1.69 4.20 -1.25 0.80 115.11 120.99 3hiu h GLN 139 Ca 0.06 -0.27 -0.12 0.00 0.06 0.00 0.00 58.65 58.38 3hiu h GLN 139 Cb 0.25 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3hiu h GLN 139 CO 0.01 0.85 -0.28 0.93 -0.67 0.00 0.00 178.83 179.67 3hiu h GLU 140 N 0.39 0.70 0.01 1.46 4.39 -0.79 -3.11 114.58 117.63 3hiu h GLU 140 Ca 0.02 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 3hiu h GLU 140 Cb 0.97 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3hiu h GLU 140 CO 0.09 0.98 -0.01 0.82 -1.16 0.00 0.00 179.01 179.73 3hiu h ILE 141 N 0.45 1.01 0.00 3.13 2.04 -1.18 0.21 117.51 123.17 3hiu h ILE 141 Ca 0.05 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3hiu h ILE 141 Cb 0.84 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3hiu h ILE 141 CO 0.07 0.02 0.00 1.21 0.00 0.00 0.00 178.15 179.45 3hiu n GLU 142 N -5.08 0.00 0.00 2.37 4.07 0.27 -0.97 120.64 121.29 3hiu n GLU 142 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 3hiu n GLU 142 Cb 0.05 -0.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 3hiu n GLU 142 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hiu n ALA 144 N 0.14 0.00 -0.24 4.31 0.00 0.74 -1.71 120.51 123.75 3hiu n ALA 144 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hiu n ALA 144 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 3hiu n ALA 144 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hiu h GLU 145 N 0.00 1.04 -0.71 0.00 5.08 -1.28 -2.68 114.58 116.03 3hiu h GLU 145 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3hiu h GLU 145 Cb 0.00 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3hiu h GLU 145 CO 0.00 0.70 0.40 2.35 -1.00 0.00 0.00 179.01 181.46 3hiu h TRP 146 N 1.06 0.96 -0.15 4.33 7.01 -1.58 -2.95 115.95 124.64 3hiu h TRP 146 Ca 0.28 -0.02 -0.17 0.00 2.11 0.00 0.00 58.89 61.10 3hiu h TRP 146 Cb -0.10 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 26.66 3hiu h TRP 146 CO 0.00 0.67 -0.56 -0.07 -2.79 0.00 0.00 178.44 175.70 3hiu h LEU 147 N 0.97 0.74 -0.06 0.65 3.38 -1.80 -2.76 115.31 116.43 3hiu h LEU 147 Ca 0.25 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hiu h LEU 147 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hiu h LEU 147 CO -0.04 1.23 0.00 0.00 0.09 0.00 0.00 178.44 179.72 3hiu n ILE 148 N -4.15 0.58 -0.08 1.22 0.13 -1.04 -0.10 119.36 115.92 3hiu n ILE 148 Ca -0.07 -0.22 -0.14 0.00 -1.10 0.00 0.00 62.75 61.22 3hiu n ILE 148 Cb 0.63 -0.64 -0.09 0.00 -0.84 0.00 0.00 39.64 38.70 3hiu n ILE 148 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3hiu h GLU 149 N 0.00 0.00 0.00 9.51 5.08 -1.58 -3.35 114.58 124.24 3hiu h GLU 149 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hiu h GLU 149 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3hiu h GLU 149 CO 0.00 0.74 0.00 0.72 -1.00 0.00 0.00 179.01 179.47 3hiu n HIS 150 N -4.55 0.00 0.32 4.33 8.25 -1.04 -3.77 115.22 118.76 3hiu n HIS 150 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 3hiu n HIS 150 Cb 0.48 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 31.21 3hiu n HIS 150 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3hiu h GLN 151 N 0.00 -0.76 -0.91 -0.41 4.15 -0.64 -2.87 115.11 113.67 3hiu h GLN 151 Ca 0.00 0.05 0.16 0.00 0.77 0.00 0.00 58.65 59.63 3hiu h GLN 151 Cb 0.16 0.17 -0.10 0.00 0.21 0.00 0.00 27.48 27.93 3hiu h GLN 151 CO 0.00 -0.51 0.51 1.49 -1.93 0.00 0.00 178.83 178.39 3hiu h GLU 152 N -0.79 0.69 -0.60 1.69 4.81 -1.80 0.27 114.58 118.85 3hiu h GLU 152 Ca -0.08 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3hiu h GLU 152 Cb 0.61 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3hiu h GLU 152 CO 0.12 0.46 0.08 0.00 -0.73 0.00 0.00 179.01 178.94 3hiu h ALA 153 N 1.58 0.80 -0.75 2.92 0.00 -1.79 -1.80 119.26 120.23 3hiu h ALA 153 Ca 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3hiu h ALA 153 Cb 0.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hiu h ALA 153 CO -0.36 0.57 0.38 0.82 0.00 0.00 0.00 179.25 180.67 3hiu h ILE 154 N 0.91 1.24 0.09 0.00 2.04 -0.77 0.05 117.51 121.06 3hiu h ILE 154 Ca 0.18 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 3hiu h ILE 154 Cb 0.45 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3hiu h ILE 154 CO 0.01 0.27 -0.04 0.58 0.00 0.00 0.00 178.15 178.97 3hiu h VAL 155 N 1.04 1.01 0.39 1.67 2.07 -1.06 -2.08 116.25 119.29 3hiu h VAL 155 Ca 0.26 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3hiu h VAL 155 Cb 0.08 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3hiu h VAL 155 CO -0.04 0.09 -0.21 0.58 0.02 0.00 0.00 177.57 178.01 3hiu h VAL 156 N -0.27 0.57 -0.87 2.57 2.07 -1.09 -0.80 116.25 118.43 3hiu h VAL 156 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 3hiu h VAL 156 Cb 0.23 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3hiu h VAL 156 CO 0.02 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.17 3hiu h ALA 157 N 0.05 1.80 -0.20 1.67 0.00 -1.05 0.13 119.26 121.66 3hiu h ALA 157 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hiu h ALA 157 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hiu h ALA 157 CO 0.07 -0.02 0.12 0.35 0.00 0.00 0.00 179.25 179.76 3hiu h PHE 158 N 0.71 0.27 0.51 0.00 3.57 -0.67 -1.21 116.94 120.12 3hiu h PHE 158 Ca 0.43 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 3hiu h PHE 158 Cb 0.64 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3hiu h PHE 158 CO -0.00 0.22 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.99 3hiu h LEU 159 N 0.24 -0.58 -1.30 0.59 3.38 0.58 0.87 115.31 119.10 3hiu h LEU 159 Ca 0.07 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.10 3hiu h LEU 159 Cb 0.04 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3hiu h LEU 159 CO -0.01 -0.34 0.52 -0.33 0.09 0.00 0.00 178.44 178.37 3hiu h GLU 160 N -0.78 0.80 -0.17 1.13 5.08 -0.96 -1.80 114.58 117.89 3hiu h GLU 160 Ca -0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3hiu h GLU 160 Cb 0.56 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3hiu h GLU 160 CO 0.11 0.53 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.43 3hiu h ARG 161 N 0.83 0.40 -0.32 2.33 2.43 -1.06 -3.08 114.38 115.89 3hiu h ARG 161 Ca 0.36 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hiu h ARG 161 Cb 0.31 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3hiu h ARG 161 CO -0.13 0.75 0.21 1.49 -1.51 0.00 0.00 179.97 180.77 3hiu h GLU 162 N 0.05 0.43 -0.81 0.20 4.81 -0.02 -2.87 114.58 116.37 3hiu h GLU 162 Ca 0.03 -0.03 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 3hiu h GLU 162 Cb 0.66 -0.09 -0.11 0.00 0.63 0.00 0.00 28.75 29.83 3hiu h GLU 162 CO 0.04 0.30 0.24 0.00 -0.73 0.00 0.00 179.01 178.86 3hiu n GLN 163 N -4.85 3.25 0.00 1.92 10.64 -0.79 -5.11 117.38 122.44 3hiu n GLN 163 Ca -0.01 -2.55 0.00 0.00 -1.83 0.00 0.00 57.00 52.61 3hiu n GLN 163 Cb 0.04 -2.06 0.00 0.00 -0.86 0.00 0.00 30.24 27.35 3hiu n GLN 163 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12