#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiu h SER 6 N 0.00 -0.03 -0.54 1.69 4.64 -1.97 -1.04 113.55 116.31 3hiu h SER 6 Ca 0.00 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3hiu h SER 6 Cb 0.00 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3hiu h SER 6 CO 0.00 0.02 0.15 -0.09 -0.87 0.00 0.00 176.83 176.04 3hiu h ARG 7 N 0.18 0.90 0.00 4.77 2.43 -1.93 -2.35 114.38 118.37 3hiu h ARG 7 Ca 0.19 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hiu h ARG 7 Cb 0.24 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hiu h ARG 7 CO -0.27 0.80 -0.22 0.93 -1.51 0.00 0.00 179.97 179.70 3hiu h GLU 8 N 0.86 0.00 0.19 0.20 4.39 -1.85 0.14 114.58 118.51 3hiu h GLU 8 Ca 0.19 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.60 3hiu h GLU 8 Cb 0.30 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3hiu h GLU 8 CO -0.00 0.00 -1.33 -0.09 -1.16 0.00 0.00 179.01 176.43 3hiu h ARG 9 N 0.00 0.41 -0.33 2.33 9.65 -1.13 -2.48 114.38 122.83 3hiu h ARG 9 Ca 0.00 -0.70 0.03 0.00 -1.10 0.00 0.00 59.98 58.21 3hiu h ARG 9 Cb 0.77 0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.58 3hiu h ARG 9 CO 0.00 1.34 0.15 1.25 2.80 0.00 0.00 179.97 185.51 3hiu h LEU 10 N -0.07 0.21 -0.82 3.80 5.85 -1.26 -0.43 115.31 122.60 3hiu h LEU 10 Ca -0.25 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3hiu h LEU 10 Cb 1.96 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.93 3hiu h LEU 10 CO 0.20 0.16 0.40 0.58 -0.34 0.00 0.00 178.44 179.44 3hiu h VAL 11 N 0.32 1.25 -0.21 1.05 2.07 -0.85 0.08 116.25 119.96 3hiu h VAL 11 Ca 0.14 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3hiu h VAL 11 Cb 0.07 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3hiu h VAL 11 CO -0.11 0.30 0.14 0.50 0.02 0.00 0.00 177.57 178.42 3hiu h LYS 12 N 1.16 0.29 0.00 1.57 3.64 -0.87 0.94 116.57 123.30 3hiu h LYS 12 Ca 0.28 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.53 3hiu h LYS 12 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3hiu h LYS 12 CO -0.04 0.21 -0.54 -1.49 -2.27 0.00 0.00 179.45 175.33 3hiu h TRP 13 N 0.28 0.00 -0.68 1.91 6.55 -1.02 -2.32 115.95 120.67 3hiu h TRP 13 Ca 0.08 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.86 3hiu h TRP 13 Cb -0.01 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.27 3hiu h TRP 13 CO -0.06 0.54 0.20 -0.07 -1.05 0.00 0.00 178.44 178.01 3hiu h LEU 14 N 0.00 1.00 -0.10 -4.49 3.38 -0.68 -2.57 115.31 111.84 3hiu h LEU 14 Ca -0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hiu h LEU 14 Cb 1.10 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hiu h LEU 14 CO 0.07 0.95 0.06 1.56 0.09 0.00 0.00 178.44 181.17 3hiu h GLN 15 N 1.00 0.14 -0.21 1.13 4.20 -0.54 -2.03 115.11 118.80 3hiu h GLN 15 Ca 0.22 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.97 3hiu h GLN 15 Cb 0.31 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.00 3hiu h GLN 15 CO -0.01 0.15 -0.23 -0.44 -0.67 0.00 0.00 178.83 177.63 3hiu h ASP 16 N 0.09 -0.73 -0.00 1.46 3.32 -1.40 -2.56 116.42 116.60 3hiu h ASP 16 Ca 0.04 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 3hiu h ASP 16 Cb 0.04 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3hiu h ASP 16 CO -0.01 -0.27 -0.12 0.00 -1.72 0.00 0.00 179.24 177.13 3hiu h ALA 17 N 0.79 1.49 -0.40 3.45 0.00 -1.34 -2.28 119.26 120.96 3hiu h ALA 17 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3hiu h ALA 17 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3hiu h ALA 17 CO -0.36 0.36 0.06 -0.92 0.00 0.00 0.00 179.25 178.40 3hiu h TYR 18 N 0.25 0.71 0.00 0.00 3.20 -1.04 0.45 116.97 120.55 3hiu h TYR 18 Ca 0.05 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hiu h TYR 18 Cb 0.37 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3hiu h TYR 18 CO 0.01 0.70 0.00 0.00 -1.64 0.00 0.00 178.16 177.23 3hiu n ALA 19 N -2.37 1.81 0.00 1.82 0.00 -0.86 -1.71 120.51 119.20 3hiu n ALA 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hiu n ALA 19 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.80 0.00 0.10 0.00 -0.58 0.16 -1.38 120.64 119.74 3hiu n GLU 21 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3hiu n GLU 21 Cb 0.16 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.07 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 -0.18 3.49 1.57 -1.57 0.24 116.57 120.12 3hiu h LYS 22 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3hiu h LYS 22 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hiu h LYS 22 CO 0.00 0.77 -0.28 1.49 -0.57 0.00 0.00 179.45 180.86 3hiu h GLU 23 N 0.00 0.51 -0.19 3.15 4.57 -1.50 -2.99 114.58 118.14 3hiu h GLU 23 Ca -0.01 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 57.91 3hiu h GLU 23 Cb 1.41 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.98 3hiu h GLU 23 CO 0.10 0.91 -0.10 0.00 -1.18 0.00 0.00 179.01 178.74 3hiu h ALA 24 N 0.60 0.05 -0.97 2.92 0.00 -1.75 -2.38 119.26 117.73 3hiu h ALA 24 Ca 0.02 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3hiu h ALA 24 Cb 0.86 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 3hiu h ALA 24 CO 0.07 -0.53 0.62 1.49 0.00 0.00 0.00 179.25 180.90 3hiu h GLU 25 N -0.09 1.01 -4.36 0.00 4.81 -1.01 -3.40 114.58 111.55 3hiu h GLU 25 Ca 0.11 -0.06 -0.71 0.00 -0.13 0.00 0.00 59.36 58.56 3hiu h GLU 25 Cb 0.24 -0.23 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3hiu h GLU 25 CO -0.24 0.67 2.77 2.41 -0.73 0.00 0.00 179.01 183.89 3hiu n THR 26 N -4.54 3.68 -0.51 0.32 -1.04 -0.90 -4.60 114.28 106.69 3hiu n THR 26 Ca 0.16 -3.44 0.00 0.00 -2.04 0.00 0.00 64.05 58.73 3hiu n THR 26 Cb 0.26 -2.52 0.00 0.00 -1.82 0.00 0.00 70.33 66.25 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 6.33 0.00 -1.25 2.41 0.00 -1.26 -5.09 120.51 121.65 3hiu n ALA 29 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 3hiu n ALA 29 Cb 0.40 -0.42 0.22 0.00 0.00 0.00 0.00 19.45 19.66 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 0.84 4.57 0.00 0.00 0.00 -1.26 -4.63 120.51 120.03 3hiu n ALA 30 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.64 3hiu n ALA 30 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.85 0.00 0.77 0.00 0.00 -1.26 -3.45 120.51 115.72 3hiu n ALA 32 Ca 0.41 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.96 3hiu n ALA 32 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.71 3hiu n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hiu n SER 33 N 0.00 0.70 0.10 0.00 3.41 -1.26 -4.04 113.62 112.53 3hiu n SER 33 Ca 0.00 -0.54 0.12 0.00 -0.26 0.00 0.00 58.87 58.19 3hiu n SER 33 Cb 0.00 0.90 0.18 0.00 -0.26 0.00 0.00 64.21 65.04 3hiu n SER 33 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hiu h ARG 34 N 0.00 0.00 -6.51 4.33 3.08 -1.97 -3.46 114.38 109.85 3hiu h ARG 34 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3hiu h ARG 34 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3hiu h ARG 34 CO 0.00 0.00 0.55 0.42 -1.07 0.00 0.00 179.97 179.87 3hiu s ILE 35 N -3.20 4.00 0.00 2.04 1.01 -1.26 -4.90 121.20 118.90 3hiu s ILE 35 Ca 0.06 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3hiu s ILE 35 Cb 0.11 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3hiu s ILE 35 CO 0.70 0.14 0.00 -0.62 0.00 0.00 0.00 174.94 175.16 3hiu n GLU 36 N 3.67 3.14 -0.03 2.79 1.02 -1.26 -4.89 120.64 125.07 3hiu n GLU 36 Ca 0.08 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.22 3hiu n GLU 36 Cb 0.46 -0.63 0.01 0.00 -0.02 0.00 0.00 31.44 31.26 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 -0.89 0.00 -3.39 -0.32 8.25 -1.26 -4.93 115.22 112.67 3hiu n HIS 37 Ca 0.00 -0.27 -0.26 0.00 -0.26 0.00 0.00 57.72 56.93 3hiu n HIS 37 Cb 0.00 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.29 0.41 -0.30 4.41 4.01 -1.26 -4.99 117.16 119.15 3hiu n TYR 38 Ca 0.01 -3.64 0.05 0.00 -0.16 0.00 0.00 57.90 54.16 3hiu n TYR 38 Cb 0.41 -0.18 0.19 0.00 -0.31 0.00 0.00 39.34 39.46 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 4.83 0.72 -0.27 -0.72 0.11 -1.98 -0.68 132.00 134.01 3hiu h PRO 39 Ca 0.17 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 3hiu h PRO 39 Cb 0.85 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3hiu h PRO 39 CO 0.51 0.48 -0.02 0.93 -0.21 0.00 0.00 178.00 179.68 3hiu h GLU 40 N 0.74 0.50 0.48 1.05 4.39 -1.98 -2.26 114.58 117.50 3hiu h GLU 40 Ca 0.42 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 3hiu h GLU 40 Cb 0.47 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3hiu h GLU 40 CO -0.29 0.67 -0.36 1.25 -1.16 0.00 0.00 179.01 179.12 3hiu h LEU 41 N 0.27 -0.95 -0.81 1.33 5.85 -1.59 0.24 115.31 119.65 3hiu h LEU 41 Ca 0.07 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3hiu h LEU 41 Cb 0.47 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 3hiu h LEU 41 CO 0.02 -0.54 0.44 0.50 -0.34 0.00 0.00 178.44 178.52 3hiu h LYS 42 N -0.83 0.69 0.00 1.25 3.64 -1.30 0.65 116.57 120.66 3hiu h LYS 42 Ca -0.05 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3hiu h LYS 42 Cb 0.71 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3hiu h LYS 42 CO 0.01 0.46 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.29 3hiu h ARG 43 N 0.72 0.00 0.12 1.90 1.12 -0.82 -1.53 114.38 115.90 3hiu h ARG 43 Ca 0.40 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 59.08 3hiu h ARG 43 Cb 0.43 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.41 3hiu h ARG 43 CO -0.28 0.26 -0.90 -0.09 -3.11 0.00 0.00 179.97 175.86 3hiu h ARG 44 N 0.00 0.26 -0.02 0.20 9.65 0.10 -3.23 114.38 121.34 3hiu h ARG 44 Ca -0.00 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3hiu h ARG 44 Cb 0.82 0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 3hiu h ARG 44 CO 0.03 1.21 0.02 0.82 2.80 0.00 0.00 179.97 184.85 3hiu h ILE 45 N -0.42 1.01 -0.56 1.20 2.04 -0.78 -2.65 117.51 117.35 3hiu h ILE 45 Ca -0.17 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3hiu h ILE 45 Cb 1.62 0.98 -0.10 0.00 -0.74 0.00 0.00 36.82 38.57 3hiu h ILE 45 CO 0.11 0.01 -0.48 -0.33 0.00 0.00 0.00 178.15 177.47 3hiu h GLU 46 N 0.03 -0.25 -1.07 2.37 5.08 -1.43 0.18 114.58 119.49 3hiu h GLU 46 Ca 0.01 0.02 0.29 0.00 -1.00 0.00 0.00 59.36 58.68 3hiu h GLU 46 Cb -0.00 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 3hiu h GLU 46 CO -0.00 -0.17 0.73 0.37 -1.00 0.00 0.00 179.01 178.94 3hiu h GLN 47 N -0.26 0.18 0.00 2.33 4.15 -1.49 0.52 115.11 120.54 3hiu h GLN 47 Ca 0.15 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 3hiu h GLN 47 Cb 0.56 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 3hiu h GLN 47 CO -0.68 0.12 -1.27 1.25 -1.93 0.00 0.00 178.83 176.32 3hiu h HIS 48 N 0.19 0.00 -0.29 3.99 2.76 -0.62 -1.75 115.15 119.42 3hiu h HIS 48 Ca 0.56 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.81 3hiu h HIS 48 Cb 1.82 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.76 3hiu h HIS 48 CO -0.00 0.47 0.27 0.28 -1.30 0.00 0.00 177.93 177.65 3hiu h VAL 49 N 0.00 0.54 0.00 5.26 2.07 0.16 0.19 116.25 124.47 3hiu h VAL 49 Ca -0.12 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.02 3hiu h VAL 49 Cb 1.47 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3hiu h VAL 49 CO 0.04 0.00 -2.42 -0.62 0.02 0.00 0.00 177.57 174.59 3hiu n GLU 50 N -3.94 0.68 -0.34 1.57 1.02 -1.12 -3.06 120.64 115.45 3hiu n GLU 50 Ca 0.04 0.08 0.16 0.00 -0.02 0.00 0.00 57.16 57.43 3hiu n GLU 50 Cb 0.43 -1.51 0.38 0.00 -0.02 0.00 0.00 31.44 30.72 3hiu n GLU 50 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3hiu h GLU 51 N 0.00 0.61 -0.25 3.49 5.08 -1.02 -1.01 114.58 121.48 3hiu h GLU 51 Ca -0.56 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.73 3hiu h GLU 51 Cb 2.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 3hiu h GLU 51 CO -0.04 0.41 0.02 1.15 -1.00 0.00 0.00 179.01 179.54 3hiu h THR 52 N 0.63 1.25 -0.24 1.13 2.02 -0.75 -0.98 112.91 115.97 3hiu h THR 52 Ca 0.59 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.96 3hiu h THR 52 Cb 1.10 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3hiu h THR 52 CO -0.38 0.27 0.16 1.56 0.37 0.00 0.00 175.52 177.50 3hiu h GLN 53 N 0.21 0.16 0.00 6.66 4.20 -1.17 0.56 115.11 125.73 3hiu h GLN 53 Ca 0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hiu h GLN 53 Cb 0.38 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3hiu h GLN 53 CO 0.01 0.10 0.00 1.96 -0.67 0.00 0.00 178.83 180.23 3hiu h GLN 54 N 0.16 0.00 0.27 1.46 1.08 -0.68 -3.18 115.11 114.22 3hiu h GLN 54 Ca 0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3hiu h GLN 54 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3hiu h GLN 54 CO -0.02 0.00 -0.13 1.96 -0.95 0.00 0.00 178.83 179.70 3hiu h GLN 55 N 0.00 -0.34 -0.81 1.46 4.20 0.44 -3.16 115.11 116.91 3hiu h GLN 55 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3hiu h GLN 55 Cb 0.88 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3hiu h GLN 55 CO 0.00 -0.23 0.53 0.66 -0.67 0.00 0.00 178.83 179.12 3hiu h SER 56 N -0.91 0.91 -0.08 1.46 4.64 -1.57 0.26 113.55 118.26 3hiu h SER 56 Ca -0.04 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3hiu h SER 56 Cb 0.27 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3hiu h SER 56 CO 0.06 0.65 0.02 0.00 -0.87 0.00 0.00 176.83 176.69 3hiu h ALA 57 N 1.50 1.76 -0.17 5.18 0.00 -1.71 0.73 119.26 126.56 3hiu h ALA 57 Ca 0.30 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3hiu h ALA 57 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hiu h ALA 57 CO -0.07 0.18 -0.42 0.78 0.00 0.00 0.00 179.25 179.72 3hiu h GLY 58 N 0.39 0.65 0.72 0.00 0.00 -0.58 -1.93 103.07 102.32 3hiu h GLY 58 Ca 0.05 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 46.64 3hiu h GLY 58 CO 0.00 0.72 0.48 -2.08 0.00 0.00 0.00 176.54 175.66 3hiu h VAL 59 N 0.25 1.02 -0.46 4.60 2.07 0.65 -2.62 116.25 121.76 3hiu h VAL 59 Ca -0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3hiu h VAL 59 Cb 1.03 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3hiu h VAL 59 CO 0.09 0.16 0.16 -0.61 0.02 0.00 0.00 177.57 177.39 3hiu h GLN 60 N 0.89 0.71 -0.39 1.57 4.15 0.52 0.38 115.11 122.94 3hiu h GLN 60 Ca 0.35 -0.15 0.11 0.00 0.77 0.00 0.00 58.65 59.73 3hiu h GLN 60 Cb 0.17 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3hiu h GLN 60 CO -0.17 0.67 0.29 0.00 -1.93 0.00 0.00 178.83 177.69 3hiu h ARG 61 N 0.61 0.00 -0.05 1.69 3.08 -1.09 0.36 114.38 118.98 3hiu h ARG 61 Ca 0.15 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.97 3hiu h ARG 61 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hiu h ARG 61 CO -0.01 0.00 -0.90 0.00 -1.07 0.00 0.00 179.97 177.99 3hiu h LEU 63 N 0.36 0.58 -0.50 0.00 3.38 0.11 -2.53 115.31 116.71 3hiu h LEU 63 Ca -0.08 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 3hiu h LEU 63 Cb 1.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 3hiu h LEU 63 CO 0.17 0.94 -0.68 -0.33 0.09 0.00 0.00 178.44 178.63 3hiu h GLU 64 N 0.44 0.32 -0.39 1.13 5.08 -0.48 0.17 114.58 120.86 3hiu h GLU 64 Ca 0.03 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3hiu h GLU 64 Cb 0.94 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3hiu h GLU 64 CO 0.08 0.88 0.10 1.25 -1.00 0.00 0.00 179.01 180.32 3hiu h LEU 65 N 0.23 0.58 -2.46 1.33 5.85 -1.21 -3.08 115.31 116.55 3hiu h LEU 65 Ca -0.02 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3hiu h LEU 65 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3hiu h LEU 65 CO 0.11 0.65 0.00 0.18 -0.34 0.00 0.00 178.44 179.05 3hiu n LEU 66 N -4.58 3.74 -2.58 2.25 4.77 -0.97 -4.91 117.00 114.72 3hiu n LEU 66 Ca -0.01 -1.89 -0.20 0.00 -0.03 0.00 0.00 56.01 53.89 3hiu n LEU 66 Cb 0.20 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3hiu n LEU 66 CO 0.38 0.57 -0.18 0.59 -1.33 0.00 0.00 177.39 177.42 3hiu n ASN 67 N 0.63 -5.47 -4.86 -1.43 5.03 -1.13 -4.99 115.26 103.05 3hiu n ASN 67 Ca 0.18 -0.05 -0.31 0.00 0.87 0.00 0.00 54.58 55.28 3hiu n ASN 67 Cb 0.74 -4.53 -0.05 0.00 -1.02 0.00 0.00 39.78 34.91 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 -2.21 2.12 0.74 7.41 0.00 0.58 -5.03 107.32 110.92 3hiu s GLY 68 Ca 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.78 3hiu s GLY 68 CO 0.10 -0.89 1.08 -0.56 0.00 0.00 0.00 173.10 172.83 3hiu s SER 69 N -2.44 4.84 -0.38 1.64 0.01 -1.26 -4.15 113.70 111.95 3hiu s SER 69 Ca 0.32 1.77 -0.12 0.00 1.31 0.00 0.00 55.95 59.23 3hiu s SER 69 Cb -0.13 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.61 3hiu s SER 69 CO 0.25 -1.81 0.24 -0.63 0.41 0.00 0.00 173.24 171.70 3hiu s ILE 70 N -2.91 4.85 0.69 1.44 1.09 -1.26 -4.84 121.20 120.25 3hiu s ILE 70 Ca 0.60 -0.74 -0.13 0.00 -1.10 0.00 0.00 60.65 59.29 3hiu s ILE 70 Cb -0.16 -3.68 -0.11 0.00 -1.06 0.00 0.00 42.46 37.44 3hiu s ILE 70 CO 0.55 -0.24 -0.52 -2.65 -0.10 0.00 0.00 174.94 171.98 3hiu n PRO 71 N 5.06 0.00 -4.42 2.79 -0.02 -1.26 -5.02 135.00 132.12 3hiu n PRO 71 Ca -0.12 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.16 3hiu n PRO 71 Cb 0.47 -0.75 -0.10 0.00 -0.02 0.00 0.00 33.50 33.09 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 -1.51 1.32 0.10 3.45 -1.32 -1.26 -5.00 115.64 111.42 3hiu s THR 72 Ca 0.32 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.76 3hiu s THR 72 Cb -0.18 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.22 3hiu s THR 72 CO 0.60 -0.17 0.00 0.00 -2.21 0.00 0.00 174.62 172.85 3hiu n ALA 73 N -0.60 -1.10 -1.30 11.08 0.00 -1.26 -5.11 120.51 122.22 3hiu n ALA 73 Ca -0.04 0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.70 3hiu n ALA 73 Cb 0.65 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 3hiu n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hiu n THR 93 N -1.98 -0.53 0.26 0.00 -1.04 -1.26 -5.20 114.28 104.54 3hiu n THR 93 Ca 0.00 0.70 0.14 0.00 -2.04 0.00 0.00 64.05 62.85 3hiu n THR 93 Cb 0.20 -1.14 0.36 0.00 -1.82 0.00 0.00 70.33 67.92 3hiu n THR 93 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3hiu h ASP 94 N -1.27 0.00 0.00 8.00 3.45 -2.05 -3.42 116.42 121.14 3hiu h ASP 94 Ca -0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.32 3hiu h ASP 94 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3hiu h ASP 94 CO 0.06 0.00 0.00 -0.62 -1.57 0.00 0.00 179.24 177.11 3hiu n GLU 95 N -3.04 0.00 0.26 3.56 1.02 -1.26 -2.61 120.64 118.57 3hiu n GLU 95 Ca 0.03 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 3hiu n GLU 95 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.78 3hiu n GLU 95 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3hiu h VAL 96 N 0.00 0.47 -0.42 2.62 3.04 -1.95 0.19 116.25 120.19 3hiu h VAL 96 Ca 0.00 -0.31 -0.07 0.00 -1.01 0.00 0.00 66.70 65.31 3hiu h VAL 96 Cb 0.00 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 3hiu h VAL 96 CO 0.00 0.05 -0.01 0.71 -1.01 0.00 0.00 177.57 177.31 3hiu h THR 97 N -0.86 1.26 -0.70 3.17 1.35 -1.87 -1.02 112.91 114.25 3hiu h THR 97 Ca -0.07 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 3hiu h THR 97 Cb 0.58 1.09 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 3hiu h THR 97 CO 0.11 0.36 0.26 0.11 -0.25 0.00 0.00 175.52 176.11 3hiu h LYS 98 N 0.59 1.04 -0.11 4.72 1.79 -1.54 -0.97 116.57 122.10 3hiu h LYS 98 Ca 0.12 -0.19 -0.13 0.00 -2.18 0.00 0.00 60.65 58.27 3hiu h LYS 98 Cb 0.50 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3hiu h LYS 98 CO 0.02 0.86 -0.50 0.78 -1.08 0.00 0.00 179.45 179.53 3hiu h GLY 99 N 1.08 0.30 1.35 3.86 0.00 -0.47 -1.00 103.07 108.19 3hiu h GLY 99 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3hiu h GLY 99 CO -0.02 0.30 0.26 -2.08 0.00 0.00 0.00 176.54 175.00 3hiu h VAL 100 N 0.22 1.20 -0.23 4.60 2.07 -0.47 0.29 116.25 123.94 3hiu h VAL 100 Ca 0.01 -0.60 -0.18 0.00 0.82 0.00 0.00 66.70 66.75 3hiu h VAL 100 Cb 0.96 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3hiu h VAL 100 CO 0.08 0.24 -0.58 1.23 0.02 0.00 0.00 177.57 178.56 3hiu h GLY 101 N 0.94 0.79 1.96 2.17 0.00 -0.50 -2.29 103.07 106.14 3hiu h GLY 101 Ca 0.20 -0.95 -0.13 0.00 0.00 0.00 0.00 47.33 46.45 3hiu h GLY 101 CO -0.02 0.85 -0.61 -2.22 0.00 0.00 0.00 176.54 174.54 3hiu h ILE 102 N 0.55 1.43 -0.36 2.60 2.04 -1.04 -1.99 117.51 120.74 3hiu h ILE 102 Ca 0.00 -2.08 -0.02 0.00 1.00 0.00 0.00 64.86 63.76 3hiu h ILE 102 Cb 1.17 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 3hiu h ILE 102 CO 0.12 0.60 0.14 0.28 0.00 0.00 0.00 178.15 179.29 3hiu h SER 103 N 0.03 0.49 -0.24 1.72 0.02 -0.81 -1.00 113.55 113.77 3hiu h SER 103 Ca -0.01 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 3hiu h SER 103 Cb 1.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3hiu h SER 103 CO 0.08 0.53 -0.22 0.22 -1.14 0.00 0.00 176.83 176.30 3hiu h TYR 104 N 0.43 0.79 -0.41 3.45 3.20 -1.33 -1.52 116.97 121.58 3hiu h TYR 104 Ca 0.12 -0.18 -0.13 0.00 3.14 0.00 0.00 58.73 61.68 3hiu h TYR 104 Cb 0.19 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3hiu h TYR 104 CO -0.00 0.86 -0.26 0.00 -1.64 0.00 0.00 178.16 177.12 3hiu h ALA 105 N 1.14 0.76 -0.03 1.82 0.00 -1.20 -2.55 119.26 119.19 3hiu h ALA 105 Ca 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hiu h ALA 105 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hiu h ALA 105 CO 0.05 0.66 -0.07 0.35 0.00 0.00 0.00 179.25 180.24 3hiu h PHE 106 N 0.74 0.13 -0.79 0.00 3.57 -1.05 -0.47 116.94 119.07 3hiu h PHE 106 Ca 0.09 -0.05 0.23 0.00 3.53 0.00 0.00 57.97 61.77 3hiu h PHE 106 Cb 0.81 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3hiu h PHE 106 CO 0.05 0.66 0.57 0.93 -2.23 0.00 0.00 178.31 178.29 3hiu h GLU 107 N -0.44 0.00 0.01 1.11 4.39 -1.34 0.42 114.58 118.73 3hiu h GLU 107 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 3hiu h GLU 107 Cb 0.65 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3hiu h GLU 107 CO 0.01 0.00 -1.08 0.45 -1.16 0.00 0.00 179.01 177.23 3hiu h HIS 108 N 0.00 0.03 -0.33 4.33 3.86 -1.13 -1.47 115.15 120.43 3hiu h HIS 108 Ca 0.37 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3hiu h HIS 108 Cb 1.51 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.96 3hiu h HIS 108 CO 0.00 1.02 0.22 1.25 0.86 0.00 0.00 177.93 181.27 3hiu h LEU 109 N 0.00 0.38 0.40 2.43 5.85 0.11 -2.80 115.31 121.68 3hiu h LEU 109 Ca -0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hiu h LEU 109 Cb 1.80 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 3hiu h LEU 109 CO 0.13 0.27 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.90 3hiu h GLU 110 N 0.44 -0.63 0.00 1.25 5.08 -0.25 -2.24 114.58 118.23 3hiu h GLU 110 Ca 0.12 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hiu h GLU 110 Cb -0.05 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hiu h GLU 110 CO -0.03 -0.42 0.00 -0.89 -1.00 0.00 0.00 179.01 176.67 3hiu n ILE 111 N -5.40 0.00 -0.32 3.13 5.41 -0.56 -0.81 119.36 120.80 3hiu n ILE 111 Ca -0.10 1.33 0.16 0.00 1.00 0.00 0.00 62.75 65.14 3hiu n ILE 111 Cb 0.30 -1.83 0.32 0.00 -0.71 0.00 0.00 39.64 37.72 3hiu n ILE 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hiu n ALA 112 N -2.33 0.55 -0.03 -1.39 0.00 -1.06 -0.25 120.51 116.00 3hiu n ALA 112 Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 53.44 54.37 3hiu n ALA 112 Cb 0.00 -0.77 0.10 0.00 0.00 0.00 0.00 19.45 18.79 3hiu n ALA 112 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hiu h SER 113 N 0.00 0.66 0.68 0.00 0.02 -0.43 -1.54 113.55 112.95 3hiu h SER 113 Ca 0.60 -0.27 -0.22 0.00 -0.84 0.00 0.00 61.79 61.07 3hiu h SER 113 Cb 1.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 3hiu h SER 113 CO -0.86 0.95 -0.98 1.88 -1.14 0.00 0.00 176.83 176.67 3hiu h TYR 114 N 0.54 0.27 -0.24 3.45 0.05 0.15 -1.85 116.97 119.34 3hiu h TYR 114 Ca 0.06 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3hiu h TYR 114 Cb 0.83 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3hiu h TYR 114 CO 0.04 1.04 0.15 0.00 -1.05 0.00 0.00 178.16 178.34 3hiu h ARG 115 N 0.08 0.32 -0.04 4.88 3.08 -0.98 0.07 114.38 121.78 3hiu h ARG 115 Ca -0.06 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3hiu h ARG 115 Cb 1.66 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.64 3hiu h ARG 115 CO 0.15 0.23 -0.10 0.00 -1.07 0.00 0.00 179.97 179.18 3hiu h ALA 116 N 1.07 1.76 -0.28 0.04 0.00 -1.27 -2.19 119.26 118.38 3hiu h ALA 116 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hiu h ALA 116 Cb -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hiu h ALA 116 CO -0.02 0.18 -0.12 -0.07 0.00 0.00 0.00 179.25 179.23 3hiu h LEU 117 N 0.05 0.59 -1.84 0.00 3.38 -0.84 -1.74 115.31 114.91 3hiu h LEU 117 Ca 0.01 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.64 3hiu h LEU 117 Cb 0.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hiu h LEU 117 CO 0.01 0.85 0.22 0.58 0.09 0.00 0.00 178.44 180.20 3hiu h VAL 118 N 0.32 0.94 -0.13 1.22 2.07 -0.39 0.49 116.25 120.76 3hiu h VAL 118 Ca 0.06 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 3hiu h VAL 118 Cb 0.62 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hiu h VAL 118 CO 0.04 0.04 -0.40 0.58 0.02 0.00 0.00 177.57 177.84 3hiu h VAL 119 N 0.19 1.36 -0.24 2.57 2.07 -1.23 -2.47 116.25 118.51 3hiu h VAL 119 Ca 0.14 -1.70 -0.16 0.00 0.82 0.00 0.00 66.70 65.81 3hiu h VAL 119 Cb 0.32 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3hiu h VAL 119 CO -0.02 0.51 -0.51 0.00 0.02 0.00 0.00 177.57 177.56 3hiu h ALA 120 N 0.52 0.66 0.10 1.67 0.00 -0.36 0.38 119.26 122.22 3hiu h ALA 120 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3hiu h ALA 120 Cb 1.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hiu h ALA 120 CO 0.09 0.68 -0.12 0.00 0.00 0.00 0.00 179.25 179.89 3hiu h ALA 121 N 0.91 -0.22 0.75 0.00 0.00 -0.16 -1.68 119.26 118.85 3hiu h ALA 121 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hiu h ALA 121 Cb 1.07 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hiu h ALA 121 CO 0.10 -0.65 -0.36 0.00 0.00 0.00 0.00 179.25 178.35 3hiu h ARG 122 N -0.26 -0.97 -0.93 0.00 3.08 -1.24 -1.18 114.38 112.88 3hiu h ARG 122 Ca 0.01 0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.40 3hiu h ARG 122 Cb 0.26 0.22 -0.15 0.00 0.08 0.00 0.00 29.97 30.38 3hiu h ARG 122 CO -0.05 -0.65 0.33 1.03 -1.07 0.00 0.00 179.97 179.56 3hiu h SER 123 N -1.01 0.13 0.15 7.04 0.87 -0.96 0.52 113.55 120.28 3hiu h SER 123 Ca -0.10 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3hiu h SER 123 Cb 0.77 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3hiu h SER 123 CO 0.17 -0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.29 3hiu n ALA 124 N -2.60 2.56 -1.89 6.23 0.00 -0.63 -4.89 120.51 119.29 3hiu n ALA 124 Ca 0.25 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 3hiu n ALA 124 Cb 0.81 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 0.95 0.59 3.37 0.00 0.00 0.18 -4.88 105.19 105.40 3hiu n GLY 125 Ca 0.20 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.07 4.10 0.27 1.61 0.41 -0.56 -4.89 118.70 115.57 3hiu s GLU 126 Ca 0.00 -2.97 0.04 0.00 -0.41 0.00 0.00 54.97 51.63 3hiu s GLU 126 Cb 0.00 -4.65 0.39 0.00 -1.78 0.00 0.00 34.13 28.09 3hiu s GLU 126 CO 0.00 -1.36 1.68 1.96 -0.49 0.00 0.00 175.26 177.04 3hiu h GLN 127 N 6.96 0.36 -0.12 1.61 1.08 -1.92 -1.89 115.11 121.19 3hiu h GLN 127 Ca 0.20 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 57.05 3hiu h GLN 127 Cb 0.90 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 3hiu h GLN 127 CO 1.03 0.69 -0.66 1.49 -0.95 0.00 0.00 178.83 180.44 3hiu h GLU 128 N 0.31 0.47 -0.52 1.46 4.57 -1.97 -2.00 114.58 116.89 3hiu h GLU 128 Ca 0.03 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 57.80 3hiu h GLU 128 Cb 0.81 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3hiu h GLU 128 CO 0.06 0.96 0.06 0.28 -1.18 0.00 0.00 179.01 179.20 3hiu h VAL 129 N 0.33 1.24 -0.46 0.32 2.07 -1.92 -2.86 116.25 114.98 3hiu h VAL 129 Ca -0.02 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.54 3hiu h VAL 129 Cb 1.22 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3hiu h VAL 129 CO 0.12 0.34 0.20 0.00 0.02 0.00 0.00 177.57 178.25 3hiu h ALA 130 N 1.27 0.60 -0.67 1.67 0.00 -1.05 -1.94 119.26 119.13 3hiu h ALA 130 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hiu h ALA 130 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hiu h ALA 130 CO 0.01 0.18 0.44 0.37 0.00 0.00 0.00 179.25 180.25 3hiu h GLN 131 N 0.60 0.87 -0.25 0.00 5.75 -1.27 0.56 115.11 121.37 3hiu h GLN 131 Ca 0.16 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 3hiu h GLN 131 Cb 0.16 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 3hiu h GLN 131 CO -0.02 0.58 -0.03 0.82 -2.65 0.00 0.00 178.83 177.53 3hiu h ILE 132 N 0.90 0.78 -0.09 2.39 1.08 -1.30 -1.07 117.51 120.19 3hiu h ILE 132 Ca 0.25 -0.01 -0.06 0.00 -0.39 0.00 0.00 64.86 64.65 3hiu h ILE 132 Cb -0.08 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 34.40 3hiu h ILE 132 CO -0.06 0.01 -0.20 0.00 -0.69 0.00 0.00 178.15 177.20 3hiu h GLU 134 N 0.14 0.00 0.13 0.00 5.08 -0.55 -1.45 114.58 117.93 3hiu h GLU 134 Ca 0.03 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.10 3hiu h GLU 134 Cb 0.45 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 3hiu h GLU 134 CO 0.03 0.66 -1.25 -0.44 -1.00 0.00 0.00 179.01 177.01 3hiu h ASP 135 N 0.00 0.71 0.09 1.42 3.32 -0.41 -2.67 116.42 118.88 3hiu h ASP 135 Ca -0.01 -0.68 -0.11 0.00 0.02 0.00 0.00 57.03 56.24 3hiu h ASP 135 Cb 1.26 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3hiu h ASP 135 CO 0.09 1.51 -0.39 0.40 -1.72 0.00 0.00 179.24 179.13 3hiu h ILE 136 N 0.19 1.30 -0.59 0.35 2.04 -1.30 -2.89 117.51 116.61 3hiu h ILE 136 Ca -0.17 -1.51 0.03 0.00 1.00 0.00 0.00 64.86 64.21 3hiu h ILE 136 Cb 1.93 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.58 3hiu h ILE 136 CO 0.23 0.46 0.39 0.25 0.00 0.00 0.00 178.15 179.48 3hiu h LEU 137 N 0.33 0.60 -0.73 1.44 5.85 -1.22 -2.52 115.31 119.06 3hiu h LEU 137 Ca 0.03 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 3hiu h LEU 137 Cb 0.83 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hiu h LEU 137 CO 0.07 0.42 -0.57 -0.61 -0.34 0.00 0.00 178.44 177.41 3hiu h GLN 138 N 0.70 0.20 -0.17 1.25 5.75 -1.27 -2.34 115.11 119.23 3hiu h GLN 138 Ca 0.24 -0.13 -0.18 0.00 -0.15 0.00 0.00 58.65 58.43 3hiu h GLN 138 Cb 0.07 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3hiu h GLN 138 CO -0.06 0.71 -0.62 1.96 -2.65 0.00 0.00 178.83 178.18 3hiu h GLN 139 N 0.15 0.58 -0.15 1.69 4.20 -1.36 -0.87 115.11 119.36 3hiu h GLN 139 Ca -0.00 -0.40 -0.18 0.00 0.06 0.00 0.00 58.65 58.13 3hiu h GLN 139 Cb 1.05 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 3hiu h GLN 139 CO 0.09 1.02 -0.64 0.93 -0.67 0.00 0.00 178.83 179.56 3hiu h GLU 140 N 0.43 0.53 -0.36 1.46 4.39 -1.41 -3.05 114.58 116.58 3hiu h GLU 140 Ca -0.01 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 3hiu h GLU 140 Cb 1.18 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3hiu h GLU 140 CO 0.12 1.00 0.02 0.82 -1.16 0.00 0.00 179.01 179.80 3hiu h ILE 141 N 0.39 1.25 0.00 3.13 2.04 -1.42 -0.39 117.51 122.52 3hiu h ILE 141 Ca -0.01 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3hiu h ILE 141 Cb 1.20 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3hiu h ILE 141 CO 0.12 0.32 0.00 1.21 0.00 0.00 0.00 178.15 179.79 3hiu n GLU 142 N -4.51 0.20 0.00 2.37 4.07 -0.33 -1.04 120.64 121.40 3hiu n GLU 142 Ca -0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 3hiu n GLU 142 Cb 0.26 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 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 0.40 0.00 -0.23 4.31 0.00 -0.16 -1.60 120.51 123.24 3hiu n ALA 144 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3hiu n ALA 144 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.54 3hiu n ALA 144 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hiu h GLU 145 N 0.00 0.93 -0.51 0.00 4.81 -1.31 -2.29 114.58 116.21 3hiu h GLU 145 Ca 0.00 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3hiu h GLU 145 Cb 0.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3hiu h GLU 145 CO 0.00 0.77 0.16 2.35 -0.73 0.00 0.00 179.01 181.56 3hiu h TRP 146 N 0.88 0.81 -0.13 0.92 7.01 -1.55 -2.86 115.95 121.02 3hiu h TRP 146 Ca 0.21 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 3hiu h TRP 146 Cb 0.17 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3hiu h TRP 146 CO 0.01 0.70 0.02 -0.07 -2.79 0.00 0.00 178.44 176.31 3hiu h LEU 147 N 0.69 0.21 -0.61 0.65 3.38 -1.83 -2.59 115.31 115.21 3hiu h LEU 147 Ca 0.16 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3hiu h LEU 147 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hiu h LEU 147 CO -0.01 0.43 -0.26 -0.29 0.09 0.00 0.00 178.44 178.40 3hiu h ILE 148 N -0.01 0.53 -0.08 1.22 6.09 -1.45 0.17 117.51 123.98 3hiu h ILE 148 Ca 0.04 -1.41 -0.03 0.00 -1.37 0.00 0.00 64.86 62.09 3hiu h ILE 148 Cb 0.31 1.99 -0.00 0.00 0.47 0.00 0.00 36.82 39.59 3hiu h ILE 148 CO 0.00 0.26 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.94 3hiu h GLU 149 N 0.00 0.18 -0.01 2.19 5.08 -1.53 -3.24 114.58 117.26 3hiu h GLU 149 Ca -0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3hiu h GLU 149 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3hiu h GLU 149 CO 0.03 0.61 -0.02 0.72 -1.00 0.00 0.00 179.01 179.36 3hiu n HIS 150 N -4.70 0.00 0.06 4.33 8.25 -0.98 -4.25 115.22 117.93 3hiu n HIS 150 Ca -0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 3hiu n HIS 150 Cb 0.30 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.31 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 1.08 -0.10 -0.69 -0.41 4.15 -0.69 -3.04 115.11 115.41 3hiu h GLN 151 Ca 0.00 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.56 3hiu h GLN 151 Cb 0.27 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3hiu h GLN 151 CO 0.00 0.06 0.47 1.49 -1.93 0.00 0.00 178.83 178.91 3hiu h GLU 152 N -0.23 0.38 -0.09 1.69 4.81 -1.78 -1.96 114.58 117.40 3hiu h GLU 152 Ca -0.01 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3hiu h GLU 152 Cb 0.20 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hiu h GLU 152 CO 0.02 0.25 -0.09 0.00 -0.73 0.00 0.00 179.01 178.46 3hiu h ALA 153 N 1.66 0.13 -0.47 2.92 0.00 -1.82 -2.15 119.26 119.53 3hiu h ALA 153 Ca 0.33 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hiu h ALA 153 Cb 0.76 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3hiu h ALA 153 CO -0.10 -0.04 0.12 0.82 0.00 0.00 0.00 179.25 180.06 3hiu h ILE 154 N -0.21 0.78 -0.09 0.00 2.04 -1.31 0.13 117.51 118.84 3hiu h ILE 154 Ca 0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3hiu h ILE 154 Cb 0.62 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3hiu h ILE 154 CO 0.02 0.05 0.05 0.58 0.00 0.00 0.00 178.15 178.85 3hiu h VAL 155 N 0.27 1.00 -0.31 1.67 2.07 -1.44 -0.09 116.25 119.42 3hiu h VAL 155 Ca 0.23 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.72 3hiu h VAL 155 Cb 0.28 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3hiu h VAL 155 CO -0.28 0.02 0.21 0.58 0.02 0.00 0.00 177.57 178.12 3hiu h VAL 156 N 0.10 1.08 -0.49 2.57 2.07 -0.75 -0.17 116.25 120.67 3hiu h VAL 156 Ca 0.04 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3hiu h VAL 156 Cb 0.00 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3hiu h VAL 156 CO -0.02 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.50 3hiu h ALA 157 N 1.12 0.82 -0.04 1.67 0.00 -0.73 -0.48 119.26 121.62 3hiu h ALA 157 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hiu h ALA 157 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hiu h ALA 157 CO -0.03 0.65 0.02 0.35 0.00 0.00 0.00 179.25 180.25 3hiu h PHE 158 N 0.83 0.05 0.32 0.00 3.57 -0.72 -0.58 116.94 120.40 3hiu h PHE 158 Ca 0.13 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hiu h PHE 158 Cb 0.69 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 3hiu h PHE 158 CO 0.04 0.04 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.87 3hiu h LEU 159 N 0.04 -0.58 -0.84 0.59 3.38 -0.85 -1.48 115.31 115.57 3hiu h LEU 159 Ca 0.01 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3hiu h LEU 159 Cb 0.01 0.18 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 3hiu h LEU 159 CO -0.00 -0.33 -0.06 -0.33 0.09 0.00 0.00 178.44 177.80 3hiu h GLU 160 N -0.52 0.05 -0.61 1.13 5.08 -1.10 0.17 114.58 118.76 3hiu h GLU 160 Ca -0.04 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3hiu h GLU 160 Cb 0.42 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3hiu h GLU 160 CO 0.03 0.03 0.38 -0.09 -1.00 0.00 0.00 179.01 178.36 3hiu h ARG 161 N 0.05 0.73 0.00 2.33 2.43 -0.95 -2.92 114.38 116.04 3hiu h ARG 161 Ca 0.45 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3hiu h ARG 161 Cb 0.80 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hiu h ARG 161 CO -0.79 0.48 0.00 1.05 -1.51 0.00 0.00 179.97 179.20 3hiu h GLU 162 N 0.75 0.00 -0.13 0.20 4.11 0.42 -3.06 114.58 116.87 3hiu h GLU 162 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.62 3hiu h GLU 162 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3hiu h GLU 162 CO -0.10 0.00 -0.23 0.00 0.07 0.00 0.00 179.01 178.75 3hiu n GLN 163 N -2.72 1.72 0.00 1.06 10.64 -1.00 -5.11 117.38 121.97 3hiu n GLN 163 Ca 0.04 -3.09 0.00 0.00 -1.83 0.00 0.00 57.00 52.12 3hiu n GLN 163 Cb 0.42 -1.68 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 3hiu n GLN 163 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51