#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiu n SER 6 N 0.00 0.00 0.07 1.69 3.41 -1.26 -1.18 113.62 116.34 3hiu n SER 6 Ca 0.00 0.44 -0.15 0.00 -0.26 0.00 0.00 58.87 58.91 3hiu n SER 6 Cb 0.00 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 3hiu n SER 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3hiu h ARG 7 N 0.00 0.21 0.26 4.33 2.43 -1.92 -3.22 114.38 116.46 3hiu h ARG 7 Ca 0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 3hiu h ARG 7 Cb 0.12 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hiu h ARG 7 CO 0.00 1.08 -0.12 0.93 -1.51 0.00 0.00 179.97 180.35 3hiu h GLU 8 N 0.06 -0.33 -0.84 0.20 3.07 -1.57 -1.02 114.58 114.14 3hiu h GLU 8 Ca -0.19 0.02 0.16 0.00 -0.50 0.00 0.00 59.36 58.85 3hiu h GLU 8 Cb 1.97 0.08 -0.16 0.00 -0.84 0.00 0.00 28.75 29.80 3hiu h GLU 8 CO 0.16 -0.00 -0.25 -0.09 -1.40 0.00 0.00 179.01 177.43 3hiu h ARG 9 N -0.71 -0.02 -0.56 2.33 9.65 -1.65 -1.42 114.38 122.00 3hiu h ARG 9 Ca -0.04 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3hiu h ARG 9 Cb 0.49 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 3hiu h ARG 9 CO 0.06 -0.01 0.09 1.25 2.80 0.00 0.00 179.97 184.15 3hiu h LEU 10 N -0.02 0.85 -0.31 3.80 5.85 -1.53 -2.40 115.31 121.55 3hiu h LEU 10 Ca 0.38 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3hiu h LEU 10 Cb 0.61 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3hiu h LEU 10 CO -0.87 0.86 0.06 0.58 -0.34 0.00 0.00 178.44 178.73 3hiu h VAL 11 N 0.85 1.23 0.16 1.05 2.07 -0.16 -1.84 116.25 119.62 3hiu h VAL 11 Ca 0.18 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.94 3hiu h VAL 11 Cb 0.38 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3hiu h VAL 11 CO 0.01 0.25 -0.21 0.50 0.02 0.00 0.00 177.57 178.14 3hiu h LYS 12 N 0.34 -0.41 -0.58 1.57 1.63 -1.05 0.24 116.57 118.31 3hiu h LYS 12 Ca 0.10 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 3hiu h LYS 12 Cb 0.32 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.01 3hiu h LYS 12 CO 0.00 -0.27 0.38 -1.49 -3.45 0.00 0.00 179.45 174.63 3hiu h TRP 13 N -0.42 0.72 -0.72 1.91 4.06 -1.43 0.30 115.95 120.38 3hiu h TRP 13 Ca 0.01 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 3hiu h TRP 13 Cb 0.42 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 3hiu h TRP 13 CO -0.17 0.45 0.35 -0.07 -3.56 0.00 0.00 178.44 175.44 3hiu h LEU 14 N 0.78 0.93 -0.69 -4.49 3.38 -0.68 -0.30 115.31 114.24 3hiu h LEU 14 Ca 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hiu h LEU 14 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3hiu h LEU 14 CO -0.05 0.79 0.36 1.56 0.09 0.00 0.00 178.44 181.20 3hiu h GLN 15 N 1.00 0.97 -0.31 1.13 4.20 0.35 -0.89 115.11 121.55 3hiu h GLN 15 Ca 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3hiu h GLN 15 Cb 0.10 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3hiu h GLN 15 CO -0.03 0.74 0.11 -0.44 -0.67 0.00 0.00 178.83 178.54 3hiu h ASP 16 N 0.95 0.39 -0.20 1.46 3.32 -0.52 -1.62 116.42 120.19 3hiu h ASP 16 Ca 0.24 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3hiu h ASP 16 Cb 0.06 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hiu h ASP 16 CO -0.04 0.37 -0.30 0.00 -1.72 0.00 0.00 179.24 177.56 3hiu h ALA 17 N 1.69 0.31 -0.85 3.45 0.00 -0.42 -3.23 119.26 120.20 3hiu h ALA 17 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3hiu h ALA 17 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3hiu h ALA 17 CO -0.01 0.33 0.45 -0.92 0.00 0.00 0.00 179.25 179.09 3hiu h TYR 18 N 0.23 1.19 0.00 0.00 3.20 -0.85 0.15 116.97 120.89 3hiu h TYR 18 Ca 0.02 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hiu h TYR 18 Cb 0.87 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3hiu h TYR 18 CO 0.09 0.84 0.00 0.00 -1.64 0.00 0.00 178.16 177.45 3hiu n ALA 19 N -2.40 0.93 0.00 1.82 0.00 -0.64 -2.04 120.51 118.19 3hiu n ALA 19 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hiu n ALA 19 Cb 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.48 0.00 0.25 0.00 -0.58 0.52 -2.31 120.64 119.00 3hiu n GLU 21 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3hiu n GLU 21 Cb 0.00 0.00 0.65 0.00 -0.57 0.00 0.00 31.44 31.52 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 0.00 0.03 3.49 1.79 -1.67 -1.37 116.57 118.84 3hiu h LYS 22 Ca 0.00 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.20 3hiu h LYS 22 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 3hiu h LYS 22 CO 0.00 0.14 -1.44 1.05 -1.08 0.00 0.00 179.45 178.12 3hiu h GLU 23 N 0.00 0.07 -0.55 3.15 4.11 -1.74 -3.18 114.58 116.44 3hiu h GLU 23 Ca -0.00 -0.12 -0.05 0.00 0.07 0.00 0.00 59.36 59.26 3hiu h GLU 23 Cb 0.47 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3hiu h GLU 23 CO 0.02 0.83 0.15 0.00 0.07 0.00 0.00 179.01 180.09 3hiu h ALA 24 N 0.84 0.73 -0.02 1.06 0.00 -1.62 -3.08 119.26 117.17 3hiu h ALA 24 Ca -0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3hiu h ALA 24 Cb 1.94 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3hiu h ALA 24 CO 0.12 0.41 -0.03 1.49 0.00 0.00 0.00 179.25 181.24 3hiu h GLU 25 N 0.78 -0.04 -4.82 0.00 4.81 -1.40 -3.40 114.58 110.52 3hiu h GLU 25 Ca 0.18 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.95 3hiu h GLU 25 Cb 0.31 0.01 0.12 0.00 0.63 0.00 0.00 28.75 29.81 3hiu h GLU 25 CO -0.00 -0.02 1.26 2.41 -0.73 0.00 0.00 179.01 181.92 3hiu n THR 26 N -5.13 0.00 0.00 0.32 -1.04 -1.17 -4.56 114.28 102.70 3hiu n THR 26 Ca -0.06 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3hiu n THR 26 Cb 0.07 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 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 8.01 0.00 0.00 2.41 0.00 -1.26 -5.03 120.51 124.64 3hiu n ALA 29 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3hiu n ALA 29 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.00 0.36 0.00 0.00 0.00 -1.26 -1.42 120.51 118.20 3hiu n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hiu n ALA 30 Cb 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.18 0.00 0.31 0.00 0.00 -1.26 -2.63 120.51 117.11 3hiu n ALA 32 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3hiu n ALA 32 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 3hiu n ALA 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hiu h SER 33 N 0.00 0.00 -0.02 0.00 4.64 -1.65 -2.93 113.55 113.59 3hiu h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hiu h SER 33 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hiu h SER 33 CO 0.00 0.00 -0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3hiu n ARG 34 N -2.68 1.09 -2.60 4.77 1.74 -1.08 -4.97 116.66 112.93 3hiu n ARG 34 Ca 0.00 -1.40 -0.43 0.00 -0.77 0.00 0.00 57.85 55.25 3hiu n ARG 34 Cb 0.19 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 -1.26 4.47 -0.20 0.55 1.01 -1.11 -4.91 121.20 119.75 3hiu s ILE 35 Ca 0.18 1.72 -0.16 0.00 0.00 0.00 0.00 60.65 62.39 3hiu s ILE 35 Cb 0.13 -4.34 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 3hiu s ILE 35 CO 0.19 -0.41 -0.28 -0.62 0.00 0.00 0.00 174.94 173.83 3hiu n GLU 36 N 6.82 0.53 -0.11 2.79 1.02 -1.26 -4.69 120.64 125.73 3hiu n GLU 36 Ca 0.12 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 3hiu n GLU 36 Cb 0.47 -1.52 0.22 0.00 -0.02 0.00 0.00 31.44 30.59 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 -4.44 0.30 -3.72 -0.32 8.25 -1.26 -4.73 115.22 109.30 3hiu n HIS 37 Ca -0.24 -0.15 -0.29 0.00 -0.26 0.00 0.00 57.72 56.78 3hiu n HIS 37 Cb 0.58 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 3hiu n HIS 37 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3hiu s TYR 38 N -1.70 2.22 0.15 4.41 2.02 -1.26 -4.98 117.35 118.21 3hiu s TYR 38 Ca 0.35 -2.62 -0.09 0.00 -0.37 0.00 0.00 57.07 54.34 3hiu s TYR 38 Cb 0.21 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3hiu s TYR 38 CO 0.31 -0.74 1.47 -1.00 -1.57 0.00 0.00 175.55 174.01 3hiu h PRO 39 N 6.34 0.84 0.00 -1.71 0.13 -1.92 -1.62 132.00 134.06 3hiu h PRO 39 Ca 0.05 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hiu h PRO 39 Cb 0.89 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3hiu h PRO 39 CO 0.52 1.12 -0.42 0.93 -0.23 0.00 0.00 178.00 179.92 3hiu h GLU 40 N 0.66 0.00 0.00 0.86 5.08 -1.98 0.18 114.58 119.39 3hiu h GLU 40 Ca 0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 3hiu h GLU 40 Cb 1.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 3hiu h GLU 40 CO 0.11 0.00 -0.86 1.25 -1.00 0.00 0.00 179.01 178.51 3hiu h LEU 41 N 0.00 0.00 0.00 1.33 5.85 -1.97 -2.65 115.31 117.86 3hiu h LEU 41 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3hiu h LEU 41 Cb 0.81 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3hiu h LEU 41 CO 0.00 0.86 -0.58 0.50 -0.34 0.00 0.00 178.44 178.87 3hiu h LYS 42 N 0.00 0.00 0.31 1.25 3.64 -0.89 -2.95 116.57 117.94 3hiu h LYS 42 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hiu h LYS 42 Cb 1.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.45 3hiu h LYS 42 CO 0.11 0.36 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.41 3hiu h ARG 43 N 0.00 -0.41 -1.00 1.90 2.43 -0.68 -2.93 114.38 113.69 3hiu h ARG 43 Ca -0.03 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 3hiu h ARG 43 Cb 1.33 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 30.88 3hiu h ARG 43 CO 0.05 -0.13 0.62 -0.09 -1.51 0.00 0.00 179.97 178.91 3hiu h ARG 44 N -1.02 0.83 0.49 0.20 9.65 -1.58 -1.72 114.38 121.23 3hiu h ARG 44 Ca -0.04 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3hiu h ARG 44 Cb 0.47 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 3hiu h ARG 44 CO 0.07 0.55 -0.24 0.82 2.80 0.00 0.00 179.97 183.97 3hiu h ILE 45 N 0.85 0.00 -0.38 1.20 2.04 -1.62 0.13 117.51 119.72 3hiu h ILE 45 Ca 0.54 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 66.09 3hiu h ILE 45 Cb 0.74 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3hiu h ILE 45 CO -0.33 0.00 0.46 -0.33 0.00 0.00 0.00 178.15 177.95 3hiu h GLU 46 N -1.08 0.00 0.00 2.37 5.08 -1.43 0.50 114.58 120.01 3hiu h GLU 46 Ca -0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3hiu h GLU 46 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hiu h GLU 46 CO 0.11 0.00 -0.15 0.37 -1.00 0.00 0.00 179.01 178.34 3hiu h GLN 47 N 0.00 0.10 -0.88 2.33 4.15 -1.23 -2.91 115.11 116.67 3hiu h GLN 47 Ca 0.18 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.57 3hiu h GLN 47 Cb 1.11 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.77 3hiu h GLN 47 CO -0.00 0.89 0.57 1.25 -1.93 0.00 0.00 178.83 179.60 3hiu h HIS 48 N -0.65 0.99 -0.00 3.99 2.76 0.26 0.44 115.15 122.94 3hiu h HIS 48 Ca -0.02 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3hiu h HIS 48 Cb 0.94 -0.32 -0.05 0.00 1.55 0.00 0.00 27.41 29.52 3hiu h HIS 48 CO 0.20 0.51 -0.35 0.28 -1.30 0.00 0.00 177.93 177.26 3hiu h VAL 49 N 0.96 0.25 -0.52 5.26 2.07 -0.72 0.95 116.25 124.50 3hiu h VAL 49 Ca 0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.96 3hiu h VAL 49 Cb 0.25 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.20 3hiu h VAL 49 CO -0.15 0.00 -0.42 -0.33 0.02 0.00 0.00 177.57 176.69 3hiu h GLU 50 N -0.50 -0.14 -0.88 1.57 5.08 -0.10 0.36 114.58 119.97 3hiu h GLU 50 Ca 0.06 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.61 3hiu h GLU 50 Cb 0.59 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 3hiu h GLU 50 CO -0.29 -0.09 0.58 0.93 -1.00 0.00 0.00 179.01 179.14 3hiu h GLU 51 N -0.14 0.45 0.00 2.33 5.08 0.02 -0.43 114.58 121.89 3hiu h GLU 51 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3hiu h GLU 51 Cb 0.37 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hiu h GLU 51 CO -0.57 0.30 -0.05 1.15 -1.00 0.00 0.00 179.01 178.84 3hiu h THR 52 N 0.47 0.11 0.04 1.13 2.02 0.48 -2.33 112.91 114.82 3hiu h THR 52 Ca 0.45 -0.80 -0.23 0.00 0.77 0.00 0.00 66.41 66.60 3hiu h THR 52 Cb 1.04 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 3hiu h THR 52 CO -0.18 0.05 -1.08 1.56 0.37 0.00 0.00 175.52 176.23 3hiu h GLN 53 N 0.00 0.09 0.03 6.66 4.20 0.85 -2.88 115.11 124.06 3hiu h GLN 53 Ca -0.00 -0.15 -0.22 0.00 0.06 0.00 0.00 58.65 58.34 3hiu h GLN 53 Cb 0.72 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3hiu h GLN 53 CO 0.01 1.07 -0.97 0.37 -0.67 0.00 0.00 178.83 178.64 3hiu h GLN 54 N 0.02 0.25 0.19 1.46 5.75 -1.42 -2.97 115.11 118.39 3hiu h GLN 54 Ca -0.05 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 3hiu h GLN 54 Cb 1.84 0.10 0.00 0.00 1.07 0.00 0.00 27.48 30.49 3hiu h GLN 54 CO 0.15 1.05 -0.09 1.96 -2.65 0.00 0.00 178.83 179.25 3hiu h GLN 55 N 0.13 -0.24 -0.13 1.69 4.20 -1.48 -1.90 115.11 117.37 3hiu h GLN 55 Ca -0.07 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.70 3hiu h GLN 55 Cb 1.63 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 3hiu h GLN 55 CO 0.15 -0.16 0.12 0.66 -0.67 0.00 0.00 178.83 178.93 3hiu h SER 56 N -0.25 0.00 -0.26 1.46 4.64 -1.55 0.33 113.55 117.92 3hiu h SER 56 Ca -0.03 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 3hiu h SER 56 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3hiu h SER 56 CO 0.04 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.62 3hiu h ALA 57 N 1.89 0.69 0.04 5.18 0.00 -1.21 -0.68 119.26 125.17 3hiu h ALA 57 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hiu h ALA 57 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hiu h ALA 57 CO -0.00 0.67 -0.02 0.78 0.00 0.00 0.00 179.25 180.68 3hiu h GLY 58 N 0.90 -0.06 2.00 0.00 0.00 -0.22 -0.16 103.07 105.53 3hiu h GLY 58 Ca 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hiu h GLY 58 CO 0.09 -0.02 -0.00 -2.08 0.00 0.00 0.00 176.54 174.52 3hiu h VAL 59 N -0.41 0.16 -0.11 4.60 2.07 -1.39 0.60 116.25 121.78 3hiu h VAL 59 Ca -0.01 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.30 3hiu h VAL 59 Cb 0.38 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hiu h VAL 59 CO 0.01 0.00 -0.71 -0.61 0.02 0.00 0.00 177.57 176.28 3hiu h GLN 60 N 0.00 0.51 0.00 1.57 4.15 -0.52 -2.84 115.11 117.99 3hiu h GLN 60 Ca -0.00 -0.40 -0.13 0.00 0.77 0.00 0.00 58.65 58.89 3hiu h GLN 60 Cb 0.02 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3hiu h GLN 60 CO 0.00 1.03 -0.90 0.00 -1.93 0.00 0.00 178.83 177.04 3hiu h ARG 61 N 0.36 0.00 0.11 1.69 3.08 0.16 -3.09 114.38 116.68 3hiu h ARG 61 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3hiu h ARG 61 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3hiu h ARG 61 CO 0.13 0.41 -0.05 0.00 -1.07 0.00 0.00 179.97 179.39 3hiu h LEU 63 N -0.44 0.64 0.16 0.00 3.38 -1.59 -1.64 115.31 115.82 3hiu h LEU 63 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hiu h LEU 63 Cb 0.37 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3hiu h LEU 63 CO 0.02 0.28 -0.36 -0.33 0.09 0.00 0.00 178.44 178.14 3hiu h GLU 64 N 0.71 -0.56 -1.02 1.13 5.08 -1.51 0.56 114.58 118.97 3hiu h GLU 64 Ca 0.49 0.04 0.42 0.00 -1.00 0.00 0.00 59.36 59.30 3hiu h GLU 64 Cb 0.66 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 29.86 3hiu h GLU 64 CO -0.35 -0.37 0.57 -0.11 -1.00 0.00 0.00 179.01 177.75 3hiu n LEU 65 N -4.54 0.33 -0.87 1.33 7.94 -0.65 -0.85 117.00 119.68 3hiu n LEU 65 Ca -0.07 1.60 0.08 0.00 -1.11 0.00 0.00 56.01 56.52 3hiu n LEU 65 Cb 0.30 -0.78 0.18 0.00 0.53 0.00 0.00 43.42 43.65 3hiu n LEU 65 CO 0.13 -1.79 0.64 0.18 -1.11 0.00 0.00 177.39 175.44 3hiu n LEU 66 N -5.16 3.09 0.00 -1.96 4.77 -0.90 -4.98 117.00 111.86 3hiu n LEU 66 Ca 0.38 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3hiu n LEU 66 Cb 1.30 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.15 3hiu n LEU 66 CO 0.03 0.72 0.00 0.59 -1.33 0.00 0.00 177.39 177.40 3hiu n ASN 67 N 1.01 -3.62 -4.66 -1.43 5.03 0.14 -4.98 115.26 106.74 3hiu n ASN 67 Ca 0.15 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.31 3hiu n ASN 67 Cb 0.49 -2.49 0.18 0.00 -1.02 0.00 0.00 39.78 36.93 3hiu n ASN 67 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3hiu s GLY 68 N -2.00 1.58 0.40 7.41 0.00 -0.89 -5.00 107.32 108.82 3hiu s GLY 68 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.56 3hiu s GLY 68 CO 0.00 0.38 0.57 -1.35 0.00 0.00 0.00 173.10 172.70 3hiu s SER 69 N -3.28 5.84 -0.07 1.64 1.04 -1.26 -4.59 113.70 113.02 3hiu s SER 69 Ca 0.65 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 56.81 3hiu s SER 69 Cb -0.19 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.64 3hiu s SER 69 CO 0.58 -0.60 0.71 -0.63 0.98 0.00 0.00 173.24 174.28 3hiu s ILE 70 N -2.36 5.04 0.94 -1.02 1.09 -1.26 -4.87 121.20 118.76 3hiu s ILE 70 Ca 0.48 1.46 -0.11 0.00 -1.10 0.00 0.00 60.65 61.37 3hiu s ILE 70 Cb -0.10 -4.05 0.10 0.00 -1.06 0.00 0.00 42.46 37.36 3hiu s ILE 70 CO 0.34 0.24 0.81 -2.65 -0.10 0.00 0.00 174.94 173.58 3hiu n PRO 71 N 3.89 -0.47 -3.39 2.79 -0.02 -1.26 -4.97 135.00 131.57 3hiu n PRO 71 Ca -0.01 -0.08 -0.45 0.00 -2.02 0.00 0.00 63.50 60.94 3hiu n PRO 71 Cb 0.51 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 3hiu n PRO 71 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hiu s THR 72 N -2.52 5.38 -0.43 3.45 -1.32 -1.26 -5.03 115.64 113.90 3hiu s THR 72 Ca 0.62 -2.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 3hiu s THR 72 Cb -0.22 -4.33 0.00 0.00 -1.51 0.00 0.00 72.50 66.44 3hiu s THR 72 CO 0.62 -1.02 0.00 0.00 -2.21 0.00 0.00 174.62 172.01 3hiu n ALA 73 N 3.76 0.00 -0.89 11.08 0.00 -1.26 -5.17 120.51 128.03 3hiu n ALA 73 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3hiu n ALA 73 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3hiu n ALA 73 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hiu n THR 93 N 0.77 -4.45 0.00 0.00 5.66 -1.26 -5.21 114.28 109.79 3hiu n THR 93 Ca 0.00 0.72 0.00 0.00 -3.05 0.00 0.00 64.05 61.72 3hiu n THR 93 Cb 0.00 -2.87 0.00 0.00 -1.55 0.00 0.00 70.33 65.91 3hiu n THR 93 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3hiu n ASP 94 N 0.40 0.00 0.00 1.09 2.03 -1.26 -3.91 116.55 114.90 3hiu n ASP 94 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3hiu n ASP 94 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3hiu n ASP 94 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3hiu n GLU 95 N 0.00 0.00 0.08 -0.67 -0.00 -1.26 -2.22 120.64 116.57 3hiu n GLU 95 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.13 3hiu n GLU 95 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.42 3hiu n GLU 95 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3hiu h VAL 96 N 0.00 0.00 -0.64 3.84 3.04 -1.98 -1.03 116.25 119.49 3hiu h VAL 96 Ca 0.00 -0.19 0.12 0.00 -1.01 0.00 0.00 66.70 65.62 3hiu h VAL 96 Cb 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.19 3hiu h VAL 96 CO 0.00 0.00 0.14 0.71 -1.01 0.00 0.00 177.57 177.41 3hiu h THR 97 N -0.42 0.61 -0.65 3.17 1.35 -1.77 0.19 112.91 115.39 3hiu h THR 97 Ca -0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3hiu h THR 97 Cb 0.17 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 3hiu h THR 97 CO 0.04 0.05 0.41 0.11 -0.25 0.00 0.00 175.52 175.87 3hiu h LYS 98 N 0.27 0.87 0.00 4.72 1.79 -1.69 -2.17 116.57 120.36 3hiu h LYS 98 Ca 0.34 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 3hiu h LYS 98 Cb 0.52 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 3hiu h LYS 98 CO -0.43 0.61 -0.06 0.78 -1.08 0.00 0.00 179.45 179.27 3hiu h GLY 99 N 0.88 0.00 0.47 3.86 0.00 0.70 -0.85 103.07 108.13 3hiu h GLY 99 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3hiu h GLY 99 CO -0.05 0.00 -0.12 -2.08 0.00 0.00 0.00 176.54 174.29 3hiu h VAL 100 N 0.00 0.66 -0.68 4.60 2.07 -0.41 -2.44 116.25 120.05 3hiu h VAL 100 Ca -0.00 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.75 3hiu h VAL 100 Cb 0.24 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3hiu h VAL 100 CO 0.01 0.15 0.31 1.23 0.02 0.00 0.00 177.57 179.29 3hiu h GLY 101 N -0.88 1.01 0.90 2.17 0.00 -1.16 0.53 103.07 105.65 3hiu h GLY 101 Ca -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3hiu h GLY 101 CO 0.06 0.02 0.08 -2.22 0.00 0.00 0.00 176.54 174.48 3hiu h ILE 102 N 0.53 1.22 -0.55 2.60 2.04 -1.27 0.22 117.51 122.30 3hiu h ILE 102 Ca 0.34 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3hiu h ILE 102 Cb 0.39 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3hiu h ILE 102 CO -0.29 0.25 -0.05 0.28 0.00 0.00 0.00 178.15 178.34 3hiu h SER 103 N 0.37 0.98 0.13 1.72 0.02 -1.07 -0.03 113.55 115.67 3hiu h SER 103 Ca 0.10 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3hiu h SER 103 Cb 0.29 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3hiu h SER 103 CO 0.00 1.06 -0.23 0.22 -1.14 0.00 0.00 176.83 176.75 3hiu h TYR 104 N 0.90 -0.60 -0.74 3.45 3.20 0.41 -1.09 116.97 122.49 3hiu h TYR 104 Ca 0.15 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 3hiu h TYR 104 Cb 0.60 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 3hiu h TYR 104 CO 0.04 -0.33 0.41 0.00 -1.64 0.00 0.00 178.16 176.64 3hiu h ALA 105 N 0.33 0.95 -0.62 1.82 0.00 -0.47 -2.15 119.26 119.13 3hiu h ALA 105 Ca 0.02 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.91 3hiu h ALA 105 Cb 0.44 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3hiu h ALA 105 CO -0.12 0.47 0.23 0.35 0.00 0.00 0.00 179.25 180.18 3hiu h PHE 106 N 1.03 0.39 -0.96 0.00 3.57 -0.70 0.37 116.94 120.64 3hiu h PHE 106 Ca 0.26 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.95 3hiu h PHE 106 Cb 0.03 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.59 3hiu h PHE 106 CO -0.00 0.09 0.57 0.93 -2.23 0.00 0.00 178.31 177.67 3hiu h GLU 107 N 0.40 0.76 0.00 1.11 4.39 -0.54 -0.49 114.58 120.22 3hiu h GLU 107 Ca 0.31 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3hiu h GLU 107 Cb 0.39 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3hiu h GLU 107 CO -0.32 0.50 0.00 0.45 -1.16 0.00 0.00 179.01 178.49 3hiu h HIS 108 N 0.78 0.00 -0.12 4.33 3.86 -0.07 0.26 115.15 124.18 3hiu h HIS 108 Ca 0.53 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.59 3hiu h HIS 108 Cb 0.73 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.20 3hiu h HIS 108 CO -0.03 0.00 -0.48 1.25 0.86 0.00 0.00 177.93 179.53 3hiu h LEU 109 N 0.00 0.64 -0.95 2.43 5.85 -0.00 -2.34 115.31 120.94 3hiu h LEU 109 Ca 0.00 -0.62 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 3hiu h LEU 109 Cb 0.70 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3hiu h LEU 109 CO 0.00 1.15 0.20 -0.33 -0.34 0.00 0.00 178.44 179.12 3hiu h GLU 110 N 0.16 0.97 -0.41 1.25 5.08 -0.48 0.35 114.58 121.50 3hiu h GLU 110 Ca -0.03 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 3hiu h GLU 110 Cb 1.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3hiu h GLU 110 CO 0.10 0.83 0.04 0.82 -1.00 0.00 0.00 179.01 179.80 3hiu h ILE 111 N 0.94 1.25 -0.36 3.13 2.04 -0.59 0.78 117.51 124.70 3hiu h ILE 111 Ca 0.21 -0.93 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3hiu h ILE 111 Cb 0.27 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3hiu h ILE 111 CO -0.01 0.32 0.10 0.00 0.00 0.00 0.00 178.15 178.56 3hiu h ALA 112 N 0.91 0.48 -0.60 1.87 0.00 -1.14 -2.16 119.26 118.62 3hiu h ALA 112 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3hiu h ALA 112 Cb 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hiu h ALA 112 CO 0.01 0.14 0.08 0.77 0.00 0.00 0.00 179.25 180.25 3hiu h SER 113 N 0.44 0.93 0.73 0.00 0.02 -0.11 -1.60 113.55 113.96 3hiu h SER 113 Ca 0.12 -0.22 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 3hiu h SER 113 Cb 0.28 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3hiu h SER 113 CO -0.00 0.95 -0.75 1.88 -1.14 0.00 0.00 176.83 177.77 3hiu h TYR 114 N 0.92 0.02 0.00 3.45 0.05 -0.85 -1.31 116.97 119.25 3hiu h TYR 114 Ca 0.18 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 3hiu h TYR 114 Cb 0.42 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 3hiu h TYR 114 CO 0.03 0.76 -0.18 0.00 -1.05 0.00 0.00 178.16 177.71 3hiu h ARG 115 N 0.01 0.00 0.04 4.88 3.08 -1.07 -1.32 114.38 120.00 3hiu h ARG 115 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 3hiu h ARG 115 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.38 3hiu h ARG 115 CO 0.10 0.18 -1.05 0.00 -1.07 0.00 0.00 179.97 178.13 3hiu h ALA 116 N 1.82 0.24 0.00 0.04 0.00 -0.86 -3.29 119.26 117.20 3hiu h ALA 116 Ca -0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 3hiu h ALA 116 Cb 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hiu h ALA 116 CO 0.02 0.81 -0.50 -0.07 0.00 0.00 0.00 179.25 179.51 3hiu h LEU 117 N 0.23 0.00 -0.14 0.00 3.38 -0.74 -2.28 115.31 115.75 3hiu h LEU 117 Ca -0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3hiu h LEU 117 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3hiu h LEU 117 CO 0.19 0.50 -0.32 0.58 0.09 0.00 0.00 178.44 179.48 3hiu h VAL 118 N 0.00 1.36 -0.31 1.22 2.07 -1.38 0.53 116.25 119.74 3hiu h VAL 118 Ca -0.01 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 3hiu h VAL 118 Cb 0.91 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 3hiu h VAL 118 CO 0.07 0.48 0.15 0.58 0.02 0.00 0.00 177.57 178.86 3hiu h VAL 119 N 0.09 1.16 -0.44 2.57 2.07 -1.61 -1.27 116.25 118.82 3hiu h VAL 119 Ca 0.00 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3hiu h VAL 119 Cb 0.93 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3hiu h VAL 119 CO 0.07 0.17 0.27 0.00 0.02 0.00 0.00 177.57 178.10 3hiu h ALA 120 N 1.00 0.55 -0.18 1.67 0.00 -1.44 0.89 119.26 121.76 3hiu h ALA 120 Ca 0.11 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3hiu h ALA 120 Cb 0.13 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3hiu h ALA 120 CO -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.04 3hiu h ALA 121 N 1.18 -0.04 -0.34 0.00 0.00 -0.62 -0.80 119.26 118.63 3hiu h ALA 121 Ca 0.17 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hiu h ALA 121 Cb -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hiu h ALA 121 CO -0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 179.25 178.48 3hiu h ARG 122 N -0.18 0.59 0.00 0.00 3.08 -0.91 -0.06 114.38 116.91 3hiu h ARG 122 Ca 0.11 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hiu h ARG 122 Cb 0.34 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hiu h ARG 122 CO -0.28 0.69 0.02 0.45 -1.07 0.00 0.00 179.97 179.77 3hiu n SER 123 N -4.20 0.00 -0.03 7.04 2.88 0.31 -0.52 113.62 119.11 3hiu n SER 123 Ca 0.01 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 3hiu n SER 123 Cb 0.33 -0.10 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 3hiu n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hiu n ALA 124 N -1.05 1.52 -2.23 -1.46 0.00 -0.10 -4.78 120.51 112.42 3hiu n ALA 124 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 53.44 52.42 3hiu n ALA 124 Cb 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.27 -0.04 3.26 0.00 0.00 0.33 -4.93 105.19 103.54 3hiu n GLY 125 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.74 3.89 0.13 1.61 0.41 -0.81 -4.87 118.70 114.33 3hiu s GLU 126 Ca 0.00 -3.23 -0.06 0.00 -0.41 0.00 0.00 54.97 51.28 3hiu s GLU 126 Cb 0.00 -4.36 -0.07 0.00 -1.78 0.00 0.00 34.13 27.92 3hiu s GLU 126 CO 0.00 -1.25 1.33 1.96 -0.49 0.00 0.00 175.26 176.81 3hiu h GLN 127 N 6.47 0.49 -0.35 1.61 1.08 -1.92 0.81 115.11 123.31 3hiu h GLN 127 Ca 0.17 -0.47 0.07 0.00 -1.45 0.00 0.00 58.65 56.97 3hiu h GLN 127 Cb 0.86 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 28.34 3hiu h GLN 127 CO 0.96 1.11 -0.12 0.93 -0.95 0.00 0.00 178.83 180.76 3hiu h GLU 128 N 0.30 -0.04 -0.00 1.46 3.07 -1.98 0.55 114.58 117.93 3hiu h GLU 128 Ca -0.07 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3hiu h GLU 128 Cb 1.49 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.41 3hiu h GLU 128 CO 0.16 -0.03 0.00 0.28 -1.40 0.00 0.00 179.01 178.02 3hiu h VAL 129 N -0.04 1.23 -0.89 3.13 2.07 -1.96 -1.37 116.25 118.41 3hiu h VAL 129 Ca 0.17 -0.67 0.23 0.00 0.82 0.00 0.00 66.70 67.26 3hiu h VAL 129 Cb 0.31 1.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.62 3hiu h VAL 129 CO -0.39 0.17 0.34 0.00 0.02 0.00 0.00 177.57 177.72 3hiu h ALA 130 N 0.72 1.40 -0.67 1.67 0.00 -0.36 0.26 119.26 122.27 3hiu h ALA 130 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3hiu h ALA 130 Cb 0.28 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3hiu h ALA 130 CO 0.00 -0.41 0.09 0.37 0.00 0.00 0.00 179.25 179.31 3hiu h GLN 131 N 0.32 1.12 -0.40 0.00 5.75 0.45 -0.84 115.11 121.49 3hiu h GLN 131 Ca 0.56 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3hiu h GLN 131 Cb 1.11 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 3hiu h GLN 131 CO -0.58 1.03 0.24 0.82 -2.65 0.00 0.00 178.83 177.69 3hiu h ILE 132 N 1.04 1.04 -0.00 2.39 1.08 0.56 -2.64 117.51 120.97 3hiu h ILE 132 Ca 0.20 -0.16 -0.08 0.00 -0.39 0.00 0.00 64.86 64.42 3hiu h ILE 132 Cb 0.46 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3hiu h ILE 132 CO 0.02 0.09 -0.39 0.00 -0.69 0.00 0.00 178.15 177.18 3hiu h GLU 134 N 0.00 0.64 -0.54 0.00 5.08 -0.84 -1.70 114.58 117.23 3hiu h GLU 134 Ca -0.00 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 3hiu h GLU 134 Cb 0.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3hiu h GLU 134 CO 0.05 0.65 0.05 -0.44 -1.00 0.00 0.00 179.01 178.32 3hiu h ASP 135 N 0.51 0.89 0.16 1.42 3.32 -1.29 -0.97 116.42 120.47 3hiu h ASP 135 Ca 0.13 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3hiu h ASP 135 Cb 0.29 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hiu h ASP 135 CO -0.00 0.95 -0.08 0.40 -1.72 0.00 0.00 179.24 178.79 3hiu h ILE 136 N 0.80 0.89 -0.71 0.35 2.04 -1.53 -0.81 117.51 118.55 3hiu h ILE 136 Ca 0.16 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.95 3hiu h ILE 136 Cb 0.46 1.03 -0.10 0.00 -0.74 0.00 0.00 36.82 37.47 3hiu h ILE 136 CO 0.02 0.05 0.19 0.25 0.00 0.00 0.00 178.15 178.66 3hiu h LEU 137 N -0.32 0.06 -1.03 1.44 5.85 -1.17 0.10 115.31 120.26 3hiu h LEU 137 Ca -0.02 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hiu h LEU 137 Cb 0.25 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3hiu h LEU 137 CO 0.04 0.00 0.26 -0.61 -0.34 0.00 0.00 178.44 177.79 3hiu h GLN 138 N 0.30 0.96 -0.45 1.25 5.75 -1.01 -0.54 115.11 121.37 3hiu h GLN 138 Ca 0.39 -0.16 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 3hiu h GLN 138 Cb 0.63 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 3hiu h GLN 138 CO -0.46 0.78 -0.17 1.96 -2.65 0.00 0.00 178.83 178.29 3hiu h GLN 139 N 0.95 0.86 -0.00 1.69 4.20 0.49 -2.64 115.11 120.66 3hiu h GLN 139 Ca 0.22 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.41 3hiu h GLN 139 Cb 0.18 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hiu h GLN 139 CO -0.02 0.97 -0.85 0.93 -0.67 0.00 0.00 178.83 179.19 3hiu h GLU 140 N 0.76 0.17 -0.95 1.46 4.39 -0.63 -3.23 114.58 116.56 3hiu h GLU 140 Ca 0.11 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hiu h GLU 140 Cb 0.69 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 3hiu h GLU 140 CO 0.05 0.92 0.58 0.82 -1.16 0.00 0.00 179.01 180.22 3hiu h ILE 141 N 0.10 1.26 0.00 3.13 2.04 -1.02 -1.74 117.51 121.27 3hiu h ILE 141 Ca -0.04 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hiu h ILE 141 Cb 1.47 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3hiu h ILE 141 CO 0.13 0.27 0.00 -0.62 0.00 0.00 0.00 178.15 177.92 3hiu n GLU 142 N -4.37 0.15 0.00 2.37 1.02 -1.00 -2.03 120.64 116.78 3hiu n GLU 142 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3hiu n GLU 142 Cb 0.05 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3hiu n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hiu n ALA 144 N 0.65 0.00 -0.01 0.62 0.00 -0.66 -0.49 120.51 120.62 3hiu n ALA 144 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3hiu n ALA 144 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.42 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 0.04 0.07 0.00 5.08 -1.69 -0.58 114.58 117.51 3hiu h GLU 145 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3hiu h GLU 145 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3hiu h GLU 145 CO 0.00 0.42 -0.43 2.35 -1.00 0.00 0.00 179.01 180.35 3hiu h TRP 146 N -0.33 -1.21 -0.47 4.33 7.01 -1.06 0.41 115.95 124.63 3hiu h TRP 146 Ca 0.01 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.09 3hiu h TRP 146 Cb 0.40 0.52 -0.07 0.00 -2.10 0.00 0.00 29.16 27.92 3hiu h TRP 146 CO 0.06 -0.51 -0.39 -0.07 -2.79 0.00 0.00 178.44 174.73 3hiu h LEU 147 N -0.63 -1.37 -1.36 0.65 3.38 -1.80 -2.36 115.31 111.83 3hiu h LEU 147 Ca 0.03 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hiu h LEU 147 Cb 0.67 0.58 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3hiu h LEU 147 CO -0.28 -0.22 0.34 -0.29 0.09 0.00 0.00 178.44 178.08 3hiu h ILE 148 N -0.15 1.17 0.00 1.22 6.09 -0.55 0.32 117.51 125.61 3hiu h ILE 148 Ca 0.08 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3hiu h ILE 148 Cb 0.35 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.00 3hiu h ILE 148 CO -0.52 0.17 0.00 -0.62 -3.07 0.00 0.00 178.15 174.12 3hiu n GLU 149 N -4.41 0.25 0.00 2.19 1.02 0.14 -3.12 120.64 116.69 3hiu n GLU 149 Ca 0.05 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3hiu n GLU 149 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3hiu n GLU 149 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hiu n HIS 150 N -1.25 0.00 -0.32 -0.32 8.25 -0.03 -4.79 115.22 116.77 3hiu n HIS 150 Ca 0.08 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.73 3hiu n HIS 150 Cb 0.11 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.62 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 0.33 -0.26 -0.41 4.15 -1.15 -1.87 115.11 115.90 3hiu h GLN 151 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3hiu h GLN 151 Cb 0.00 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3hiu h GLN 151 CO 0.00 0.22 0.04 1.49 -1.93 0.00 0.00 178.83 178.64 3hiu h GLU 152 N 0.34 0.43 -0.34 1.69 4.81 -1.87 0.57 114.58 120.20 3hiu h GLU 152 Ca 0.66 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.73 3hiu h GLU 152 Cb 1.40 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 3hiu h GLU 152 CO -0.59 0.56 0.03 0.00 -0.73 0.00 0.00 179.01 178.28 3hiu h ALA 153 N 0.85 1.42 -0.07 2.92 0.00 -1.69 0.90 119.26 123.59 3hiu h ALA 153 Ca 0.08 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hiu h ALA 153 Cb 0.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hiu h ALA 153 CO 0.01 0.41 -0.23 0.82 0.00 0.00 0.00 179.25 180.26 3hiu h ILE 154 N 0.50 1.42 -0.83 0.00 2.04 -1.22 -2.34 117.51 117.10 3hiu h ILE 154 Ca 0.11 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 3hiu h ILE 154 Cb 0.28 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3hiu h ILE 154 CO 0.00 0.45 0.41 0.58 0.00 0.00 0.00 178.15 179.60 3hiu h VAL 155 N -0.22 1.26 0.47 1.67 2.07 -0.54 0.19 116.25 121.15 3hiu h VAL 155 Ca -0.01 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3hiu h VAL 155 Cb 0.85 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3hiu h VAL 155 CO 0.05 0.30 -0.23 0.58 0.02 0.00 0.00 177.57 178.29 3hiu h VAL 156 N 1.18 0.49 -1.01 2.57 2.07 -0.88 -1.16 116.25 119.51 3hiu h VAL 156 Ca 0.29 -0.30 0.25 0.00 0.82 0.00 0.00 66.70 67.75 3hiu h VAL 156 Cb 0.11 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 3hiu h VAL 156 CO -0.04 0.05 0.66 0.00 0.02 0.00 0.00 177.57 178.26 3hiu h ALA 157 N -0.41 2.23 -0.16 1.67 0.00 -1.26 0.70 119.26 122.04 3hiu h ALA 157 Ca -0.07 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hiu h ALA 157 Cb 0.57 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hiu h ALA 157 CO 0.11 -0.61 -0.08 0.35 0.00 0.00 0.00 179.25 179.02 3hiu h PHE 158 N 0.40 0.38 0.00 0.00 3.57 -0.63 -2.20 116.94 118.47 3hiu h PHE 158 Ca 0.56 -0.10 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 3hiu h PHE 158 Cb 1.43 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 3hiu h PHE 158 CO -0.00 0.66 -0.54 -0.07 -2.23 0.00 0.00 178.31 176.13 3hiu h LEU 159 N -0.00 0.00 -0.65 0.59 3.38 0.11 -2.87 115.31 115.86 3hiu h LEU 159 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hiu h LEU 159 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hiu h LEU 159 CO 0.02 0.54 -0.62 -0.33 0.09 0.00 0.00 178.44 178.14 3hiu h GLU 160 N 0.00 0.18 -0.01 1.13 5.08 -0.87 -0.93 114.58 119.17 3hiu h GLU 160 Ca -0.01 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 3hiu h GLU 160 Cb 0.99 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3hiu h GLU 160 CO 0.07 0.75 -0.74 -0.09 -1.00 0.00 0.00 179.01 177.99 3hiu h ARG 161 N 0.13 0.10 0.01 2.33 2.43 -1.24 -2.87 114.38 115.27 3hiu h ARG 161 Ca -0.01 -0.09 -0.20 0.00 -0.81 0.00 0.00 59.98 58.87 3hiu h ARG 161 Cb 1.13 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3hiu h ARG 161 CO 0.09 0.80 -0.92 1.05 -1.51 0.00 0.00 179.97 179.48 3hiu h GLU 162 N 0.06 0.18 -0.92 0.20 4.11 -1.39 -3.06 114.58 113.76 3hiu h GLU 162 Ca -0.02 -0.22 -0.02 0.00 0.07 0.00 0.00 59.36 59.18 3hiu h GLU 162 Cb 1.31 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 3hiu h GLU 162 CO 0.11 0.98 0.02 0.94 0.07 0.00 0.00 179.01 181.13 3hiu n GLN 163 N -3.62 1.83 -2.34 1.06 7.27 -0.36 -4.38 117.38 116.83 3hiu n GLN 163 Ca -0.04 -0.74 -0.38 0.00 0.07 0.00 0.00 57.00 55.91 3hiu n GLN 163 Cb 0.84 -1.62 0.02 0.00 2.41 0.00 0.00 30.24 31.89 3hiu n GLN 163 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 3hiu n LEU 164 N 0.14 6.88 0.00 1.69 7.94 -1.10 -3.67 117.00 128.88 3hiu n LEU 164 Ca 0.08 -5.17 0.00 0.00 -1.11 0.00 0.00 56.01 49.81 3hiu n LEU 164 Cb 0.53 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.48 3hiu n LEU 164 CO 0.09 1.98 0.00 -1.84 -1.11 0.00 0.00 177.39 176.51 3hiu n GLU 165 N -0.33 0.00 0.00 1.96 0.28 -1.26 -5.06 120.64 116.23 3hiu n GLU 165 Ca 0.48 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 3hiu n GLU 165 Cb 0.30 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 33.07 3hiu n GLU 165 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38