#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hif s ASP 8 N 0.00 2.51 0.07 3.42 3.68 -1.26 -5.08 116.67 120.01 3hif s ASP 8 Ca 0.00 -0.77 -0.23 0.00 2.13 0.00 0.00 52.55 53.68 3hif s ASP 8 Cb 0.00 -0.11 -0.10 0.00 -1.45 0.00 0.00 42.92 41.26 3hif s ASP 8 CO 0.00 -0.38 1.37 1.55 0.13 0.00 0.00 175.17 177.84 3hif h PRO 9 N 8.39 -0.50 -0.86 4.34 0.13 -2.04 0.35 132.00 141.81 3hif h PRO 9 Ca -0.17 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3hif h PRO 9 Cb 1.10 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3hif h PRO 9 CO 0.34 -0.33 0.55 1.15 -0.23 0.00 0.00 178.00 179.48 3hif h THR 10 N -0.52 1.23 0.20 1.56 2.02 -1.97 0.25 112.91 115.67 3hif h THR 10 Ca -0.01 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 3hif h THR 10 Cb 0.51 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3hif h THR 10 CO -0.17 0.22 -0.10 0.25 0.37 0.00 0.00 175.52 176.10 3hif h LEU 11 N 1.17 -0.23 0.00 2.58 6.46 -1.96 -1.39 115.31 121.94 3hif h LEU 11 Ca 0.31 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 3hif h LEU 11 Cb -0.11 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 3hif h LEU 11 CO -0.06 0.02 0.00 -0.62 -0.62 0.00 0.00 178.44 177.16 3hif n GLU 12 N -5.11 0.65 0.00 1.25 1.02 0.12 0.07 120.64 118.63 3hif n GLU 12 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3hif n GLU 12 Cb 0.20 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 3hif n GLU 12 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 3hif n TRP 13 N -0.57 0.00 -0.53 -0.32 -0.00 0.81 -4.02 117.44 112.81 3hif n TRP 13 Ca 0.02 0.00 0.40 0.00 -0.00 0.00 0.00 57.50 57.93 3hif n TRP 13 Cb 0.01 0.00 0.63 0.00 -0.00 0.00 0.00 31.31 31.95 3hif n TRP 13 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3hif n PHE 14 N -1.28 0.07 0.07 5.87 -0.00 -0.53 0.25 117.46 121.91 3hif n PHE 14 Ca 0.00 0.07 -0.09 0.00 -0.00 0.00 0.00 57.45 57.43 3hif n PHE 14 Cb 0.00 -0.46 -0.06 0.00 -0.00 0.00 0.00 39.48 38.96 3hif n PHE 14 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3hif h LEU 15 N 0.00 -0.23 -0.97 -2.13 3.38 -0.56 -2.83 115.31 111.97 3hif h LEU 15 Ca 0.73 -0.24 0.32 0.00 0.09 0.00 0.00 57.88 58.79 3hif h LEU 15 Cb 2.86 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 43.59 3hif h LEU 15 CO -0.05 0.30 0.64 -0.24 0.09 0.00 0.00 178.44 179.17 3hif n SER 16 N -4.95 0.11 -1.94 -0.43 2.88 0.14 -1.38 113.62 108.05 3hif n SER 16 Ca -0.07 0.86 -0.20 0.00 -1.33 0.00 0.00 58.87 58.13 3hif n SER 16 Cb 0.23 -0.42 0.07 0.00 -0.75 0.00 0.00 64.21 63.34 3hif n SER 16 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3hif n HIS 17 N -3.85 1.99 -3.52 0.66 8.25 -1.04 -4.94 115.22 112.77 3hif n HIS 17 Ca 0.27 -1.98 -0.01 0.00 -0.26 0.00 0.00 57.72 55.73 3hif n HIS 17 Cb 1.07 -0.97 0.01 0.00 1.12 0.00 0.00 29.99 31.22 3hif n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hif s HIS 19 N -5.13 3.07 -0.22 0.00 3.76 -0.18 -4.88 115.29 111.71 3hif s HIS 19 Ca 0.07 -0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 54.42 3hif s HIS 19 Cb -0.01 -2.18 -0.05 0.00 1.11 0.00 0.00 32.58 31.45 3hif s HIS 19 CO 0.02 -0.32 0.14 0.42 -0.85 0.00 0.00 174.74 174.15 3hif s ILE 20 N 1.39 5.29 0.05 0.60 1.09 -1.26 0.23 121.20 128.59 3hif s ILE 20 Ca 0.05 0.15 0.05 0.00 -1.10 0.00 0.00 60.65 59.80 3hif s ILE 20 Cb -0.15 -3.44 -0.03 0.00 -1.06 0.00 0.00 42.46 37.78 3hif s ILE 20 CO 0.02 0.38 -0.13 -1.00 -0.10 0.00 0.00 174.94 174.12 3hif s HIS 21 N 0.81 1.12 -0.23 3.97 3.76 0.33 -4.94 115.29 120.11 3hif s HIS 21 Ca 0.07 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.49 3hif s HIS 21 Cb -0.13 -0.65 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 3hif s HIS 21 CO 0.02 0.03 0.06 0.15 -0.85 0.00 0.00 174.74 174.15 3hif s LYS 22 N -1.48 3.70 -0.26 1.40 1.02 -1.26 -1.44 119.74 121.42 3hif s LYS 22 Ca -0.02 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.51 3hif s LYS 22 Cb -0.09 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 3hif s LYS 22 CO 0.02 -0.08 -0.08 0.71 -0.92 0.00 0.00 175.35 175.00 3hif s TYR 23 N 1.30 3.14 0.49 3.18 2.02 0.96 -4.97 117.35 123.48 3hif s TYR 23 Ca 0.05 -1.90 -0.22 0.00 -0.37 0.00 0.00 57.07 54.63 3hif s TYR 23 Cb -0.15 -2.01 -0.08 0.00 -0.40 0.00 0.00 41.96 39.32 3hif s TYR 23 CO 0.03 -0.81 1.04 -0.35 -1.57 0.00 0.00 175.55 173.89 3hif n PRO 24 N 4.57 1.28 -1.59 -1.71 -0.04 -1.26 -2.45 135.00 133.80 3hif n PRO 24 Ca -0.15 0.47 -0.48 0.00 -0.04 0.00 0.00 63.50 63.29 3hif n PRO 24 Cb 0.45 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 3hif n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hif n SER 25 N -0.06 1.44 0.00 3.54 3.41 -1.23 -1.36 113.62 119.37 3hif n SER 25 Ca 0.10 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.86 3hif n SER 25 Cb 0.43 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 3hif n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hif n LYS 26 N 1.71 0.00 -2.65 4.33 5.02 1.32 -4.95 118.16 122.93 3hif n LYS 26 Ca 0.14 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 3hif n LYS 26 Cb 0.26 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 32.85 3hif n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hif s SER 27 N -3.11 7.25 0.31 4.39 1.04 -0.46 -4.68 113.70 118.43 3hif s SER 27 Ca 0.00 1.63 -0.29 0.00 0.48 0.00 0.00 55.95 57.77 3hif s SER 27 Cb 0.00 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.46 3hif s SER 27 CO 0.00 -0.41 1.31 -0.89 0.98 0.00 0.00 173.24 174.23 3hif s THR 28 N 1.72 2.77 -0.24 2.02 2.01 -1.26 -1.48 115.64 121.18 3hif s THR 28 Ca 0.51 0.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.14 3hif s THR 28 Cb -0.20 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 3hif s THR 28 CO 0.22 0.17 -0.31 0.18 -0.69 0.00 0.00 174.62 174.19 3hif n LEU 29 N 1.11 1.72 -4.24 4.42 4.32 0.10 -4.89 117.00 119.54 3hif n LEU 29 Ca 0.01 0.28 -0.24 0.00 -0.02 0.00 0.00 56.01 56.04 3hif n LEU 29 Cb 0.42 -0.71 -0.14 0.00 -1.62 0.00 0.00 43.42 41.37 3hif n LEU 29 CO 0.59 0.51 -0.51 0.27 -1.22 0.00 0.00 177.39 177.03 3hif s ILE 30 N -2.44 1.59 0.32 -0.08 -4.36 -0.99 -4.97 121.20 110.28 3hif s ILE 30 Ca -0.34 -1.24 0.10 0.00 -0.26 0.00 0.00 60.65 58.91 3hif s ILE 30 Cb 0.13 -1.40 -0.05 0.00 1.25 0.00 0.00 42.46 42.38 3hif s ILE 30 CO 0.43 0.12 -0.04 -1.00 0.24 0.00 0.00 174.94 174.69 3hif s HIS 31 N -0.88 2.51 0.21 1.37 3.76 -1.26 -1.66 115.29 119.33 3hif s HIS 31 Ca 0.06 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.39 3hif s HIS 31 Cb -0.09 -1.36 0.19 0.00 1.11 0.00 0.00 32.58 32.43 3hif s HIS 31 CO 0.02 0.55 1.57 0.37 -0.85 0.00 0.00 174.74 176.40 3hif h GLN 32 N 1.91 -0.08 0.00 1.40 4.15 -1.39 -3.26 115.11 117.84 3hif h GLN 32 Ca -0.42 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.94 3hif h GLN 32 Cb 1.25 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 3hif h GLN 32 CO 0.65 -0.06 -0.39 0.78 -1.93 0.00 0.00 178.83 177.89 3hif h GLY 33 N -0.09 0.00 -6.09 2.39 0.00 -1.94 -3.07 103.07 94.27 3hif h GLY 33 Ca 0.29 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.92 3hif h GLY 33 CO -0.81 0.00 0.93 1.18 0.00 0.00 0.00 176.54 177.84 3hif n GLU 34 N -3.14 1.47 -1.70 4.80 -0.58 -1.23 -4.67 120.64 115.59 3hif n GLU 34 Ca 0.02 0.54 -0.44 0.00 -0.42 0.00 0.00 57.16 56.86 3hif n GLU 34 Cb 0.66 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.23 3hif n GLU 34 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hif n LYS 35 N 5.54 2.32 -2.70 3.49 5.02 -1.26 -3.98 118.16 126.59 3hif n LYS 35 Ca 0.25 0.83 -0.43 0.00 -2.02 0.00 0.00 58.31 56.94 3hif n LYS 35 Cb 0.18 -2.56 -0.03 0.00 -0.02 0.00 0.00 35.03 32.61 3hif n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hif s ALA 36 N 0.23 3.52 0.00 7.82 0.00 -1.10 -4.81 121.76 127.43 3hif s ALA 36 Ca 0.69 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 52.68 3hif s ALA 36 Cb -0.60 -3.59 0.21 0.00 0.00 0.00 0.00 23.12 19.14 3hif s ALA 36 CO 0.46 -1.39 1.04 0.39 0.00 0.00 0.00 175.76 176.26 3hif n GLU 37 N 6.68 0.00 -3.64 0.00 1.02 -1.26 -4.77 120.64 118.67 3hif n GLU 37 Ca 0.10 -1.39 -0.03 0.00 -0.02 0.00 0.00 57.16 55.82 3hif n GLU 37 Cb 0.47 -0.05 -0.06 0.00 -0.02 0.00 0.00 31.44 31.78 3hif n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hif s THR 38 N 0.00 0.00 0.00 2.62 2.01 -1.26 -0.20 115.64 118.81 3hif s THR 38 Ca 0.16 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.16 3hif s THR 38 Cb 0.19 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.70 3hif s THR 38 CO -0.08 0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 173.74 3hif n LEU 39 N 1.20 -1.89 -4.61 4.42 7.94 -1.26 -4.35 117.00 118.46 3hif n LEU 39 Ca -0.07 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.59 3hif n LEU 39 Cb 0.58 -0.90 -0.08 0.00 0.53 0.00 0.00 43.42 43.55 3hif n LEU 39 CO 0.04 0.00 -0.36 -0.31 -1.11 0.00 0.00 177.39 175.65 3hif s TYR 40 N -2.94 2.64 0.03 1.96 2.02 -1.26 -2.57 117.35 117.23 3hif s TYR 40 Ca 0.00 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.50 3hif s TYR 40 Cb 0.00 -1.20 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 3hif s TYR 40 CO 0.00 0.60 -0.11 -0.47 -1.57 0.00 0.00 175.55 174.01 3hif s TYR 41 N -2.18 0.92 -0.60 2.71 6.04 -0.41 -3.09 117.35 120.73 3hif s TYR 41 Ca 0.30 -0.33 -0.10 0.00 0.04 0.00 0.00 57.07 56.97 3hif s TYR 41 Cb -0.07 -0.55 0.15 0.00 -1.04 0.00 0.00 41.96 40.45 3hif s TYR 41 CO 0.18 -0.01 0.49 0.42 -1.54 0.00 0.00 175.55 175.10 3hif s ILE 42 N -0.81 4.62 -0.21 3.14 1.01 -0.96 -0.37 121.20 127.62 3hif s ILE 42 Ca -0.01 -2.14 0.29 0.00 0.00 0.00 0.00 60.65 58.79 3hif s ILE 42 Cb -0.07 -3.97 0.33 0.00 0.01 0.00 0.00 42.46 38.76 3hif s ILE 42 CO 0.01 -0.87 1.84 0.58 0.00 0.00 0.00 174.94 176.50 3hif h VAL 43 N 5.59 0.00 -2.51 2.92 2.07 -1.90 -0.03 116.25 122.39 3hif h VAL 43 Ca -0.11 -0.44 0.15 0.00 0.82 0.00 0.00 66.70 67.12 3hif h VAL 43 Cb 1.05 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 32.09 3hif h VAL 43 CO 0.83 0.00 0.42 -0.54 0.02 0.00 0.00 177.57 178.30 3hif s LYS 44 N -3.47 1.35 2.78 1.57 1.02 -1.25 -4.83 119.74 116.91 3hif s LYS 44 Ca 0.03 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.28 3hif s LYS 44 Cb 0.09 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.86 3hif s LYS 44 CO 0.50 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 3hif n GLY 45 N -0.47 1.26 3.61 -3.33 0.00 -1.26 -4.07 105.19 100.93 3hif n GLY 45 Ca -0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.35 3hif n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hif s SER 46 N -4.00 -0.32 0.37 1.61 1.04 -1.26 -2.25 113.70 108.89 3hif s SER 46 Ca 0.00 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.28 3hif s SER 46 Cb 0.00 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 3hif s SER 46 CO 0.00 -0.82 0.07 0.68 0.98 0.00 0.00 173.24 174.15 3hif s VAL 47 N -3.32 1.04 0.06 5.02 -7.23 0.67 -1.37 120.40 115.27 3hif s VAL 47 Ca 0.07 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 3hif s VAL 47 Cb -0.01 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 3hif s VAL 47 CO -0.04 0.00 -0.25 0.00 -0.31 0.00 0.00 175.10 174.49 3hif s ALA 48 N -3.22 2.17 -0.38 1.32 0.00 -0.09 -1.80 121.76 119.75 3hif s ALA 48 Ca 0.31 -1.26 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3hif s ALA 48 Cb 0.06 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.81 3hif s ALA 48 CO 0.14 0.50 0.20 0.08 0.00 0.00 0.00 175.76 176.68 3hif s VAL 49 N -0.86 4.14 0.75 0.00 1.01 -0.97 -1.76 120.40 122.71 3hif s VAL 49 Ca 0.11 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 60.76 3hif s VAL 49 Cb -0.10 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.90 3hif s VAL 49 CO 0.03 -0.35 1.13 -0.76 0.00 0.00 0.00 175.10 175.15 3hif s LEU 50 N 1.44 2.72 -0.30 3.92 2.01 -0.92 -1.00 118.68 126.56 3hif s LEU 50 Ca 0.01 0.97 -0.16 0.00 0.01 0.00 0.00 54.13 54.96 3hif s LEU 50 Cb -0.21 -3.63 0.18 0.00 0.01 0.00 0.00 46.19 42.53 3hif s LEU 50 CO 0.03 -1.60 1.09 -0.63 1.01 0.00 0.00 176.35 176.26 3hif s ILE 51 N -3.46 -0.35 0.12 -0.59 1.01 0.40 -4.36 121.20 113.97 3hif s ILE 51 Ca 0.60 0.00 0.10 0.00 0.00 0.00 0.00 60.65 61.35 3hif s ILE 51 Cb -0.11 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3hif s ILE 51 CO 0.51 0.00 -0.26 -1.59 0.00 0.00 0.00 174.94 173.59 3hif s LYS 52 N 2.31 1.41 0.00 2.79 -2.85 -1.26 -0.30 119.74 121.84 3hif s LYS 52 Ca -0.02 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 3hif s LYS 52 Cb -0.04 -1.85 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 3hif s LYS 52 CO -0.17 0.44 0.00 -3.47 0.10 0.00 0.00 175.35 172.25 3hif n ASP 53 N 1.03 0.00 -3.62 0.03 4.64 -1.26 -4.97 116.55 112.39 3hif n ASP 53 Ca -0.18 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.09 3hif n ASP 53 Cb 0.53 0.00 0.01 0.00 -1.04 0.00 0.00 41.12 40.62 3hif n ASP 53 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3hif n GLU 54 N 0.00 0.99 0.00 -0.67 1.02 -1.26 -4.56 120.64 116.16 3hif n GLU 54 Ca 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 3hif n GLU 54 Cb 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 3hif n GLU 54 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hif n GLU 55 N -1.31 0.00 -0.25 3.49 2.13 -1.26 -4.22 120.64 119.22 3hif n GLU 55 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3hif n GLU 55 Cb 0.35 -0.32 0.00 0.00 0.27 0.00 0.00 31.44 31.74 3hif n GLU 55 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hif n GLY 56 N 0.00 -0.21 3.55 8.31 0.00 -1.26 -5.16 105.19 110.42 3hif n GLY 56 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 3hif n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hif s LYS 57 N -0.46 1.87 -0.77 1.61 2.20 -1.26 -5.04 119.74 117.89 3hif s LYS 57 Ca 0.00 -1.61 -0.02 0.00 -0.36 0.00 0.00 55.97 53.97 3hif s LYS 57 Cb 0.00 0.47 0.28 0.00 -1.51 0.00 0.00 37.83 37.07 3hif s LYS 57 CO 0.00 -0.79 2.20 0.39 -0.36 0.00 0.00 175.35 176.79 3hif n GLU 58 N -0.52 2.75 -1.08 4.03 1.02 -1.26 -4.05 120.64 121.52 3hif n GLU 58 Ca -0.01 -3.28 -0.36 0.00 -0.02 0.00 0.00 57.16 53.49 3hif n GLU 58 Cb 0.61 -2.25 0.05 0.00 -0.02 0.00 0.00 31.44 29.84 3hif n GLU 58 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3hif n MET 59 N -0.19 0.02 0.00 3.49 2.81 0.59 -4.61 117.12 119.23 3hif n MET 59 Ca 0.53 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 3hif n MET 59 Cb 0.31 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3hif n MET 59 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hif n ILE 60 N -2.38 0.00 0.00 2.02 5.41 -1.25 -0.45 119.36 122.71 3hif n ILE 60 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3hif n ILE 60 Cb 0.52 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 3hif n ILE 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3hif n LEU 61 N 0.00 0.00 0.00 1.39 0.00 -0.17 -4.08 117.00 114.15 3hif n LEU 61 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 55.98 3hif n LEU 61 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.44 3hif n LEU 61 CO 0.00 0.00 0.66 -0.24 0.00 0.00 0.00 177.39 177.81 3hif n SER 62 N -0.46 -1.50 -3.80 1.96 2.88 -1.23 -5.02 113.62 106.46 3hif n SER 62 Ca 0.00 -1.81 -0.13 0.00 -1.33 0.00 0.00 58.87 55.60 3hif n SER 62 Cb 0.00 2.45 -0.13 0.00 -0.75 0.00 0.00 64.21 65.78 3hif n SER 62 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hif s TYR 63 N -2.78 -0.18 -0.17 0.66 2.02 -1.26 -2.29 117.35 113.35 3hif s TYR 63 Ca 0.19 0.45 0.01 0.00 -0.37 0.00 0.00 57.07 57.35 3hif s TYR 63 Cb -0.03 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 3hif s TYR 63 CO 0.05 -0.11 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.21 3hif s LEU 64 N 0.43 2.10 0.00 -1.29 1.43 -0.75 -4.99 118.68 115.61 3hif s LEU 64 Ca -0.03 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.46 3hif s LEU 64 Cb -0.04 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.77 3hif s LEU 64 CO -0.02 0.01 0.32 -3.20 0.23 0.00 0.00 176.35 173.70 3hif n ASN 65 N 4.53 0.62 -4.72 2.29 5.15 -1.26 -0.24 115.26 121.63 3hif n ASN 65 Ca -0.21 -1.48 -0.42 0.00 -0.60 0.00 0.00 54.58 51.88 3hif n ASN 65 Cb 0.50 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.53 3hif n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hif s GLN 66 N -3.15 4.54 0.00 1.20 -2.07 -0.95 -3.50 119.66 115.72 3hif s GLN 66 Ca 0.23 1.60 0.00 0.00 -1.82 0.00 0.00 55.36 55.37 3hif s GLN 66 Cb -0.02 -3.38 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 3hif s GLN 66 CO 0.15 -0.07 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 3hif n GLY 67 N 2.78 1.24 3.29 2.60 0.00 -0.03 -4.99 105.19 110.09 3hif n GLY 67 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 3hif n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hif s ASP 68 N -2.00 1.51 0.00 1.61 1.01 -1.23 -4.97 116.67 112.60 3hif s ASP 68 Ca 0.00 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.05 3hif s ASP 68 Cb 0.00 0.07 0.00 0.00 1.01 0.00 0.00 42.92 44.00 3hif s ASP 68 CO 0.00 -0.55 0.00 0.49 0.21 0.00 0.00 175.17 175.32 3hif n PHE 69 N -0.35 -0.11 0.00 4.23 3.72 -1.26 -2.26 117.46 121.43 3hif n PHE 69 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3hif n PHE 69 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3hif n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hif n ILE 70 N -0.04 0.00 -3.35 4.37 2.08 -1.18 -4.94 119.36 116.31 3hif n ILE 70 Ca 0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.38 3hif n ILE 70 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 3hif n ILE 70 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hif n GLY 71 N 0.00 -1.45 5.68 7.39 0.00 -1.26 -4.48 105.19 111.07 3hif n GLY 71 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3hif n GLY 71 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hif n GLU 72 N -2.64 0.00 -0.31 1.61 2.13 -1.26 -4.43 120.64 115.74 3hif n GLU 72 Ca 0.00 0.00 0.27 0.00 0.66 0.00 0.00 57.16 58.10 3hif n GLU 72 Cb 0.25 0.00 0.61 0.00 0.27 0.00 0.00 31.44 32.56 3hif n GLU 72 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hif h LEU 73 N 0.00 0.26 0.00 4.31 3.38 -2.00 -3.25 115.31 118.02 3hif h LEU 73 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hif h LEU 73 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3hif h LEU 73 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3hif n GLY 74 N -1.59 -0.64 0.00 0.83 0.00 -1.26 -4.22 105.19 98.31 3hif n GLY 74 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3hif n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hif n LEU 75 N -1.38 0.00 -0.54 0.99 -0.00 -1.22 -0.37 117.00 114.48 3hif n LEU 75 Ca 0.00 0.00 0.41 0.00 -0.00 0.00 0.00 56.01 56.42 3hif n LEU 75 Cb 0.00 0.00 0.63 0.00 -0.00 0.00 0.00 43.42 44.05 3hif n LEU 75 CO 0.00 0.00 1.19 0.49 -0.00 0.00 0.00 177.39 179.07 3hif n PHE 76 N 0.00 0.00 -0.06 1.96 3.72 -1.26 -2.44 117.46 119.38 3hif n PHE 76 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3hif n PHE 76 Cb 0.00 -0.38 -0.13 0.00 -0.94 0.00 0.00 39.48 38.03 3hif n PHE 76 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hif n GLU 77 N -3.48 0.69 -1.10 -1.08 1.02 0.50 -5.06 120.64 112.13 3hif n GLU 77 Ca 0.34 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 3hif n GLU 77 Cb 1.60 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 3hif n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hif n GLU 78 N -3.62 -3.14 -2.86 3.49 1.02 -1.02 -4.96 120.64 109.55 3hif n GLU 78 Ca -0.37 2.32 -0.01 0.00 -0.02 0.00 0.00 57.16 59.08 3hif n GLU 78 Cb 0.97 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 3hif n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hif n GLY 79 N -0.65 -1.15 3.02 0.62 0.00 -1.26 -5.05 105.19 100.72 3hif n GLY 79 Ca 0.00 0.49 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 3hif n GLY 79 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hif s GLN 80 N -2.93 0.42 -0.21 1.61 0.74 -1.26 -5.08 119.66 112.96 3hif s GLN 80 Ca 0.03 -0.67 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 3hif s GLN 80 Cb -0.01 -0.12 -0.00 0.00 1.10 0.00 0.00 33.01 33.98 3hif s GLN 80 CO 0.67 0.01 -0.07 -2.00 -0.55 0.00 0.00 175.29 173.34 3hif s GLU 81 N -1.47 3.32 -0.05 1.67 2.12 -1.26 -2.69 118.70 120.35 3hif s GLU 81 Ca -0.12 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.55 3hif s GLU 81 Cb -0.10 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.45 3hif s GLU 81 CO -0.00 -0.16 1.07 2.89 -0.54 0.00 0.00 175.26 178.51 3hif n ARG 82 N 4.66 1.15 0.00 4.30 1.85 -1.23 -4.98 116.66 122.41 3hif n ARG 82 Ca -0.19 -0.31 0.00 0.00 -1.00 0.00 0.00 57.85 56.35 3hif n ARG 82 Cb 0.51 -1.15 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 3hif n ARG 82 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3hif n SER 83 N 0.31 0.00 -4.87 2.89 7.64 -1.16 -4.19 113.62 114.24 3hif n SER 83 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 3hif n SER 83 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.81 3hif n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hif s ALA 84 N -0.01 3.13 0.00 -0.43 0.00 -1.26 -1.09 121.76 122.09 3hif s ALA 84 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3hif s ALA 84 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3hif s ALA 84 CO 0.00 -0.64 0.00 1.87 0.00 0.00 0.00 175.76 176.99 3hif n TRP 85 N -2.65 0.00 -2.53 0.00 -0.00 -1.24 -4.71 117.44 106.31 3hif n TRP 85 Ca 0.06 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.14 3hif n TRP 85 Cb 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.81 3hif n TRP 85 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3hif s VAL 86 N -0.27 4.07 0.00 5.87 1.01 -0.67 -2.16 120.40 128.25 3hif s VAL 86 Ca 0.00 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.68 3hif s VAL 86 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3hif s VAL 86 CO 0.00 0.23 -0.13 -0.60 0.00 0.00 0.00 175.10 174.60 3hif s ARG 87 N 0.16 0.97 -0.38 2.72 3.52 -0.72 -0.73 118.95 124.49 3hif s ARG 87 Ca 0.52 -0.53 -0.28 0.00 -0.13 0.00 0.00 55.73 55.31 3hif s ARG 87 Cb -0.28 -0.95 -0.02 0.00 -1.56 0.00 0.00 34.95 32.14 3hif s ARG 87 CO 0.32 0.25 1.86 0.00 -0.81 0.00 0.00 175.30 176.92 3hif s ALA 88 N -0.45 2.68 0.02 6.12 0.00 -0.55 -0.91 121.76 128.66 3hif s ALA 88 Ca 0.04 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 3hif s ALA 88 Cb -0.06 -4.08 -0.16 0.00 0.00 0.00 0.00 23.12 18.82 3hif s ALA 88 CO -0.00 -2.95 1.27 -0.22 0.00 0.00 0.00 175.76 173.86 3hif h LYS 89 N 13.67 -0.46 -6.57 0.00 3.64 -1.50 3.99 116.57 129.33 3hif h LYS 89 Ca -0.32 0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.58 3hif h LYS 89 Cb 1.18 0.11 0.02 0.00 -0.41 0.00 0.00 32.23 33.12 3hif h LYS 89 CO 1.07 -0.16 -0.10 -0.08 -2.27 0.00 0.00 179.45 177.90 3hif s THR 90 N -4.82 1.97 0.42 1.00 -1.32 -0.83 -4.19 115.64 107.87 3hif s THR 90 Ca -0.14 -1.06 -0.25 0.00 -1.21 0.00 0.00 61.69 59.02 3hif s THR 90 Cb 0.02 -2.03 -0.08 0.00 -1.51 0.00 0.00 72.50 68.90 3hif s THR 90 CO 0.54 0.00 1.31 0.00 -2.21 0.00 0.00 174.62 174.26 3hif s ALA 91 N -2.72 3.20 -0.30 11.08 0.00 -1.26 -3.55 121.76 128.21 3hif s ALA 91 Ca 0.59 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 3hif s ALA 91 Cb -0.05 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.78 3hif s ALA 91 CO 0.37 -0.88 1.42 0.00 0.00 0.00 0.00 175.76 176.67 3hif s GLU 93 N -0.61 1.55 0.59 0.00 4.04 -1.25 -0.03 118.70 122.98 3hif s GLU 93 Ca 0.09 -2.13 -0.07 0.00 0.04 0.00 0.00 54.97 52.89 3hif s GLU 93 Cb -0.03 -2.87 -0.01 0.00 0.02 0.00 0.00 34.13 31.25 3hif s GLU 93 CO -0.12 -1.08 0.93 0.08 -1.84 0.00 0.00 175.26 173.23 3hif s VAL 94 N 0.33 4.06 -0.08 1.83 1.01 -0.52 -3.35 120.40 123.68 3hif s VAL 94 Ca 0.15 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3hif s VAL 94 Cb -0.23 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hif s VAL 94 CO -0.04 -0.68 -0.13 0.00 0.00 0.00 0.00 175.10 174.25 3hif s ALA 95 N -3.03 1.35 0.06 5.51 0.00 0.50 0.12 121.76 126.27 3hif s ALA 95 Ca 0.53 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.08 3hif s ALA 95 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3hif s ALA 95 CO 0.47 0.05 -0.16 -1.83 0.00 0.00 0.00 175.76 174.30 3hif s GLU 96 N 0.78 2.05 -0.00 0.00 -1.05 0.63 -1.29 118.70 119.82 3hif s GLU 96 Ca -0.12 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 3hif s GLU 96 Cb -0.16 -2.21 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 3hif s GLU 96 CO 0.02 0.53 -0.01 -1.50 0.95 0.00 0.00 175.26 175.25 3hif s ILE 97 N -1.02 0.13 0.62 1.83 1.10 -1.06 -1.01 121.20 121.79 3hif s ILE 97 Ca 0.16 -0.04 -0.18 0.00 -0.51 0.00 0.00 60.65 60.08 3hif s ILE 97 Cb -0.11 -0.13 -0.04 0.00 0.15 0.00 0.00 42.46 42.33 3hif s ILE 97 CO 0.08 0.05 0.98 -1.54 -2.11 0.00 0.00 174.94 172.40 3hif n SER 98 N 3.20 0.80 0.16 4.50 3.41 -1.26 -4.51 113.62 119.92 3hif n SER 98 Ca -0.15 0.79 0.15 0.00 -0.26 0.00 0.00 58.87 59.40 3hif n SER 98 Cb 0.58 -1.40 0.72 0.00 -0.26 0.00 0.00 64.21 63.85 3hif n SER 98 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3hif h TYR 99 N 0.41 0.00 0.12 7.33 0.99 -0.95 -2.53 116.97 122.34 3hif h TYR 99 Ca -0.49 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 59.97 3hif h TYR 99 Cb 1.36 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.09 3hif h TYR 99 CO 0.37 0.00 -1.38 -0.22 -0.00 0.00 0.00 178.16 176.93 3hif h LYS 100 N 0.00 0.25 -0.43 4.88 3.64 -1.88 -3.07 116.57 119.96 3hif h LYS 100 Ca 0.11 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 3hif h LYS 100 Cb 0.47 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3hif h LYS 100 CO -0.00 1.20 0.06 -0.22 -2.27 0.00 0.00 179.45 178.23 3hif h LYS 101 N -0.30 0.66 -0.61 1.90 3.64 -1.91 -2.33 116.57 117.62 3hif h LYS 101 Ca -0.30 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3hif h LYS 101 Cb 1.76 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.44 3hif h LYS 101 CO 0.07 0.64 0.38 0.35 -2.27 0.00 0.00 179.45 178.62 3hif h PHE 102 N 0.64 0.72 -0.00 1.91 3.57 -1.56 -1.25 116.94 120.96 3hif h PHE 102 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3hif h PHE 102 Cb 0.30 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hif h PHE 102 CO 0.01 0.42 0.01 0.00 -2.23 0.00 0.00 178.31 176.52 3hif h ARG 103 N 0.76 0.00 0.02 1.11 3.08 -1.31 -0.07 114.38 117.96 3hif h ARG 103 Ca 0.24 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 3hif h ARG 103 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hif h ARG 103 CO -0.09 0.00 -0.19 1.96 -1.07 0.00 0.00 179.97 180.57 3hif h GLN 104 N 0.00 0.09 -0.94 0.04 4.20 -1.13 -3.31 115.11 114.07 3hif h GLN 104 Ca 0.00 -0.13 0.14 0.00 0.06 0.00 0.00 58.65 58.73 3hif h GLN 104 Cb 0.02 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.77 3hif h GLN 104 CO -0.00 0.98 0.60 -0.07 -0.67 0.00 0.00 178.83 179.67 3hif h LEU 105 N -0.73 0.75 -1.08 1.46 3.38 -0.27 0.60 115.31 119.40 3hif h LEU 105 Ca -0.03 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.19 3hif h LEU 105 Cb 1.07 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 3hif h LEU 105 CO 0.04 0.37 0.61 0.40 0.09 0.00 0.00 178.44 179.95 3hif h ILE 106 N 0.79 0.67 0.03 1.22 1.08 -1.17 -0.63 117.51 119.49 3hif h ILE 106 Ca 0.48 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.71 3hif h ILE 106 Cb 0.68 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 3hif h ILE 106 CO -0.24 0.12 -0.01 1.56 -0.69 0.00 0.00 178.15 178.89 3hif h GLN 107 N 0.68 -0.03 -0.64 2.37 1.08 -1.00 -0.80 115.11 116.77 3hif h GLN 107 Ca 0.58 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.89 3hif h GLN 107 Cb 1.01 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.37 3hif h GLN 107 CO -0.37 0.54 0.22 0.28 -0.95 0.00 0.00 178.83 178.55 3hif h VAL 108 N -0.64 0.72 -1.18 -0.54 2.07 -0.81 -3.37 116.25 112.50 3hif h VAL 108 Ca -0.00 -0.13 -0.26 0.00 0.82 0.00 0.00 66.70 67.13 3hif h VAL 108 Cb 0.59 0.30 -0.21 0.00 -1.52 0.00 0.00 31.29 30.46 3hif h VAL 108 CO 0.01 0.07 -0.61 -3.20 0.02 0.00 0.00 177.57 173.86 3hif n ASN 109 N -5.03 -2.69 0.05 0.57 2.85 -0.35 -5.01 115.26 105.66 3hif n ASN 109 Ca 0.10 -2.85 0.20 0.00 -0.11 0.00 0.00 54.58 51.91 3hif n ASN 109 Cb 0.31 1.23 0.53 0.00 1.24 0.00 0.00 39.78 43.10 3hif n ASN 109 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hif h PRO 110 N 4.96 0.00 -1.76 1.20 0.11 -1.30 -1.43 132.00 133.78 3hif h PRO 110 Ca 0.08 0.00 0.52 0.00 0.11 0.00 0.00 66.00 66.71 3hif h PRO 110 Cb 1.05 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 3hif h PRO 110 CO 0.14 0.00 1.25 0.22 -0.21 0.00 0.00 178.00 179.39 3hif h ASP 111 N 0.00 0.05 1.77 -2.05 3.58 -1.92 2.77 116.42 120.62 3hif h ASP 111 Ca 0.25 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.69 3hif h ASP 111 Cb 1.85 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.92 3hif h ASP 111 CO -0.00 -0.05 -0.18 -0.29 -2.88 0.00 0.00 179.24 175.84 3hif h ILE 112 N 0.01 0.31 -0.52 2.25 6.09 -1.62 -3.01 117.51 121.02 3hif h ILE 112 Ca 0.88 -1.41 -0.08 0.00 -1.37 0.00 0.00 64.86 62.88 3hif h ILE 112 Cb 3.39 2.13 -0.02 0.00 0.47 0.00 0.00 36.82 42.78 3hif h ILE 112 CO -0.10 0.18 0.02 0.25 -3.07 0.00 0.00 178.15 175.43 3hif h LEU 113 N 0.00 0.89 0.14 2.19 5.85 0.47 -3.20 115.31 121.65 3hif h LEU 113 Ca -0.00 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.44 3hif h LEU 113 Cb 1.11 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 3hif h LEU 113 CO 0.02 0.96 -0.32 0.24 -0.34 0.00 0.00 178.44 179.01 3hif h MET 114 N 0.78 -0.54 0.00 1.25 2.86 -1.35 0.27 114.93 118.20 3hif h MET 114 Ca 0.15 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3hif h MET 114 Cb 0.49 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hif h MET 114 CO 0.02 -0.36 0.00 -2.13 1.06 0.00 0.00 176.91 175.50 3hif n ARG 115 N -5.42 0.44 -0.05 1.72 0.63 -1.18 0.21 116.66 113.01 3hif n ARG 115 Ca -0.07 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.79 3hif n ARG 115 Cb 0.33 -1.16 -0.04 0.00 0.45 0.00 0.00 32.46 32.04 3hif n ARG 115 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3hif n LEU 116 N -0.66 2.88 0.22 6.15 0.00 -0.75 -4.15 117.00 120.69 3hif n LEU 116 Ca 0.03 -0.04 0.09 0.00 0.00 0.00 0.00 56.01 56.09 3hif n LEU 116 Cb 0.02 -0.33 0.45 0.00 0.00 0.00 0.00 43.42 43.55 3hif n LEU 116 CO 0.02 0.64 0.78 0.28 0.00 0.00 0.00 177.39 179.11 3hif h SER 117 N -0.02 0.00 0.15 1.96 0.02 0.11 -2.65 113.55 113.13 3hif h SER 117 Ca -0.22 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3hif h SER 117 Cb 1.33 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 3hif h SER 117 CO -0.04 0.26 -0.38 0.00 -1.14 0.00 0.00 176.83 175.53 3hif h ALA 118 N 1.74 -0.68 -0.38 3.77 0.00 0.23 -2.39 119.26 121.54 3hif h ALA 118 Ca -0.00 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hif h ALA 118 Cb 0.75 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 3hif h ALA 118 CO 0.03 -0.94 -0.51 0.37 0.00 0.00 0.00 179.25 178.20 3hif h GLN 119 N -0.63 -0.38 -0.29 0.00 5.75 -1.66 -1.79 115.11 116.11 3hif h GLN 119 Ca 0.02 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 3hif h GLN 119 Cb 0.65 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.24 3hif h GLN 119 CO -0.20 -0.25 -0.29 1.98 -2.65 0.00 0.00 178.83 177.42 3hif h MET 120 N -0.39 -0.14 0.28 1.69 4.05 -1.47 -2.44 114.93 116.51 3hif h MET 120 Ca 0.09 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3hif h MET 120 Cb 0.60 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3hif h MET 120 CO -0.58 -0.09 -0.35 0.00 0.23 0.00 0.00 176.91 176.12 3hif h ALA 121 N -0.55 -0.99 -0.23 0.39 0.00 -1.52 -3.01 119.26 113.35 3hif h ALA 121 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hif h ALA 121 Cb 0.28 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hif h ALA 121 CO -0.35 -1.03 -0.14 -2.13 0.00 0.00 0.00 179.25 175.61 3hif n ARG 122 N -4.51 -0.10 -0.59 0.00 0.63 -0.67 0.35 116.66 111.76 3hif n ARG 122 Ca -0.08 0.67 -0.11 0.00 -0.92 0.00 0.00 57.85 57.42 3hif n ARG 122 Cb 0.31 -1.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.15 3hif n ARG 122 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3hif n ARG 123 N -3.45 1.35 0.00 -0.14 3.00 -0.92 -3.20 116.66 113.30 3hif n ARG 123 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 57.85 57.05 3hif n ARG 123 Cb 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.56 3hif n ARG 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hif n LEU 124 N 3.14 0.00 0.00 0.55 7.99 1.09 -4.65 117.00 125.12 3hif n LEU 124 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 3hif n LEU 124 Cb 0.40 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.71 3hif n LEU 124 CO 0.32 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.20 3hif n GLN 125 N -0.25 0.00 0.00 3.23 6.02 -1.19 0.40 117.38 125.59 3hif n GLN 125 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hif n GLN 125 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3hif n GLN 125 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hif n VAL 126 N -1.57 0.00 -1.16 5.09 0.31 -1.26 0.07 118.33 119.82 3hif n VAL 126 Ca 0.00 1.20 -0.35 0.00 -0.01 0.00 0.00 64.34 65.18 3hif n VAL 126 Cb 0.00 -2.07 -0.03 0.00 -0.91 0.00 0.00 33.84 30.84 3hif n VAL 126 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hif n THR 127 N -1.31 2.85 -0.01 2.52 -1.04 1.34 0.24 114.28 118.86 3hif n THR 127 Ca 0.00 -2.02 0.00 0.00 -2.04 0.00 0.00 64.05 59.99 3hif n THR 127 Cb 0.00 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.13 3hif n THR 127 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3hif n SER 128 N 5.34 0.00 -2.02 8.00 7.64 -0.53 -4.78 113.62 127.27 3hif n SER 128 Ca 0.54 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 60.20 3hif n SER 128 Cb 0.28 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 3hif n SER 128 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hif n GLU 129 N 0.00 2.09 -3.95 1.43 1.02 0.66 -5.04 120.64 116.85 3hif n GLU 129 Ca 0.00 -2.22 -0.28 0.00 -0.02 0.00 0.00 57.16 54.64 3hif n GLU 129 Cb 0.00 -1.87 -0.17 0.00 -0.02 0.00 0.00 31.44 29.38 3hif n GLU 129 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3hif s LYS 130 N -2.55 1.82 0.03 3.49 1.02 -1.25 -4.90 119.74 117.40 3hif s LYS 130 Ca 0.43 -0.38 -0.00 0.00 0.02 0.00 0.00 55.97 56.04 3hif s LYS 130 Cb 0.35 -1.81 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 3hif s LYS 130 CO 0.01 -0.26 0.04 0.27 -0.92 0.00 0.00 175.35 174.49 3hif n ASN 133 N 4.87 0.01 -0.10 2.83 6.94 -1.26 -4.99 115.26 123.56 3hif n ASN 133 Ca -0.14 -1.02 -0.06 0.00 -0.02 0.00 0.00 54.58 53.33 3hif n ASN 133 Cb 0.50 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 37.90 3hif n ASN 133 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3hif h LEU 134 N 0.00 0.17 -1.27 -4.53 3.38 -2.05 0.51 115.31 111.51 3hif h LEU 134 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hif h LEU 134 Cb 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3hif h LEU 134 CO 0.01 0.13 0.51 0.00 0.09 0.00 0.00 178.44 179.18 3hif h ALA 135 N 1.22 1.53 -0.31 1.53 0.00 -2.05 0.97 119.26 122.15 3hif h ALA 135 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hif h ALA 135 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3hif h ALA 135 CO -0.15 0.40 -0.12 0.35 0.00 0.00 0.00 179.25 179.72 3hif h PHE 136 N 0.95 0.73 0.00 0.00 3.57 -1.74 -2.48 116.94 117.97 3hif h PHE 136 Ca 0.30 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 3hif h PHE 136 Cb 0.02 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3hif h PHE 136 CO -0.00 0.85 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.68 3hif h LEU 137 N 0.40 0.00 -0.09 0.59 3.38 -0.45 -2.01 115.31 117.14 3hif h LEU 137 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hif h LEU 137 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3hif h LEU 137 CO 0.04 0.18 -0.05 -0.78 0.09 0.00 0.00 178.44 177.91 3hif h ASP 138 N 0.00 0.20 -0.55 -0.43 -0.00 -0.62 -2.27 116.42 112.75 3hif h ASP 138 Ca -0.00 -0.44 -0.05 0.00 -0.00 0.00 0.00 57.03 56.54 3hif h ASP 138 Cb 0.72 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.97 3hif h ASP 138 CO 0.02 0.59 0.17 0.58 -0.00 0.00 0.00 179.24 180.61 3hif h VAL 139 N -0.20 1.23 -0.90 2.25 2.07 -1.30 -2.28 116.25 117.13 3hif h VAL 139 Ca 0.02 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.73 3hif h VAL 139 Cb 0.52 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3hif h VAL 139 CO 0.02 0.31 0.58 0.74 0.02 0.00 0.00 177.57 179.24 3hif h THR 140 N 0.88 1.23 -0.28 2.57 2.02 -1.30 -0.21 112.91 117.84 3hif h THR 140 Ca 0.20 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.83 3hif h THR 140 Cb 0.28 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3hif h THR 140 CO -0.01 0.23 -0.24 1.23 0.37 0.00 0.00 175.52 177.11 3hif h GLY 141 N 1.22 0.57 0.91 2.16 0.00 -1.04 -1.54 103.07 105.35 3hif h GLY 141 Ca 0.33 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3hif h GLY 141 CO -0.07 0.42 -0.17 3.21 0.00 0.00 0.00 176.54 179.94 3hif h ARG 142 N 0.47 0.62 -0.48 4.80 3.08 -0.82 -2.18 114.38 119.86 3hif h ARG 142 Ca 0.07 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.74 3hif h ARG 142 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3hif h ARG 142 CO 0.05 0.87 -0.07 0.82 -1.07 0.00 0.00 179.97 180.56 3hif h ILE 143 N 0.36 1.27 -0.71 2.04 2.04 -0.95 -1.70 117.51 119.85 3hif h ILE 143 Ca 0.06 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3hif h ILE 143 Cb 0.70 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3hif h ILE 143 CO 0.05 0.41 0.38 0.00 0.00 0.00 0.00 178.15 178.99 3hif h ALA 144 N 0.90 1.32 -0.46 1.87 0.00 -1.30 -1.73 119.26 119.86 3hif h ALA 144 Ca 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hif h ALA 144 Cb 0.61 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hif h ALA 144 CO 0.04 0.55 0.16 0.37 0.00 0.00 0.00 179.25 180.37 3hif h GLN 145 N 1.00 0.71 -0.74 0.00 4.15 -1.05 -0.02 115.11 119.16 3hif h GLN 145 Ca 0.25 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3hif h GLN 145 Cb 0.04 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 3hif h GLN 145 CO -0.04 0.66 0.38 1.15 -1.93 0.00 0.00 178.83 179.06 3hif h THR 146 N 0.61 1.23 -0.27 2.39 2.02 -0.86 -1.28 112.91 116.76 3hif h THR 146 Ca 0.15 -0.62 -0.18 0.00 0.77 0.00 0.00 66.41 66.53 3hif h THR 146 Cb 0.24 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3hif h THR 146 CO -0.01 0.27 -0.56 -0.07 0.37 0.00 0.00 175.52 175.52 3hif h LEU 147 N 1.03 0.91 -0.56 2.58 3.38 -1.16 -2.53 115.31 118.96 3hif h LEU 147 Ca 0.26 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hif h LEU 147 Cb 0.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3hif h LEU 147 CO -0.04 1.28 0.27 0.25 0.09 0.00 0.00 178.44 180.29 3hif h LEU 148 N 0.62 0.74 -0.52 1.67 6.46 -0.77 -2.85 115.31 120.66 3hif h LEU 148 Ca 0.01 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 3hif h LEU 148 Cb 1.15 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 3hif h LEU 148 CO 0.12 0.66 -0.07 0.78 -0.62 0.00 0.00 178.44 179.31 3hif h ASN 149 N 0.76 0.97 -0.24 1.25 -0.26 -1.22 -3.30 115.58 113.54 3hif h ASN 149 Ca 0.19 -0.34 -0.15 0.00 -0.56 0.00 0.00 56.30 55.44 3hif h ASN 149 Cb 0.13 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3hif h ASN 149 CO -0.02 1.08 -0.40 -0.07 -1.06 0.00 0.00 177.43 176.95 3hif h LEU 150 N 0.84 0.84 -0.22 1.61 3.38 -1.36 -3.05 115.31 117.36 3hif h LEU 150 Ca 0.14 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3hif h LEU 150 Cb 0.63 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hif h LEU 150 CO 0.04 1.14 0.18 0.00 0.09 0.00 0.00 178.44 179.89 3hif n ALA 151 N -2.53 0.68 0.51 1.53 0.00 -1.08 0.37 120.51 119.99 3hif n ALA 151 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3hif n ALA 151 Cb 0.54 -0.72 0.19 0.00 0.00 0.00 0.00 19.45 19.46 3hif n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hif n LYS 152 N -1.51 2.45 -2.14 0.00 5.02 -1.15 -4.84 118.16 116.00 3hif n LYS 152 Ca -0.00 -2.17 -0.33 0.00 -2.02 0.00 0.00 58.31 53.79 3hif n LYS 152 Cb 0.18 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3hif n LYS 152 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hif s GLN 153 N -1.63 3.49 0.53 1.97 -1.52 0.16 -4.95 119.66 117.70 3hif s GLN 153 Ca 0.36 1.13 0.19 0.00 -1.95 0.00 0.00 55.36 55.10 3hif s GLN 153 Cb 0.22 -2.06 1.37 0.00 -0.22 0.00 0.00 33.01 32.32 3hif s GLN 153 CO 0.31 -0.67 2.15 -1.35 -0.25 0.00 0.00 175.29 175.49 3hif h PRO 154 N 0.56 0.00 -0.91 2.91 0.11 -1.93 -2.38 132.00 130.35 3hif h PRO 154 Ca -0.47 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 3hif h PRO 154 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 3hif h PRO 154 CO 0.59 0.02 0.28 -0.40 -0.21 0.00 0.00 178.00 178.28 3hif n ASP 155 N -4.34 3.63 -4.75 -2.05 5.68 -1.26 -4.90 116.55 108.56 3hif n ASP 155 Ca -0.03 -2.87 -0.38 0.00 -0.50 0.00 0.00 54.79 51.02 3hif n ASP 155 Cb 0.11 -0.68 -0.06 0.00 -1.14 0.00 0.00 41.12 39.35 3hif n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hif s ALA 156 N -2.07 3.53 0.39 2.12 0.00 -0.90 -4.72 121.76 120.11 3hif s ALA 156 Ca 0.35 -0.18 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 3hif s ALA 156 Cb 0.29 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 3hif s ALA 156 CO 0.08 0.13 0.97 -1.64 0.00 0.00 0.00 175.76 175.30 3hif s MET 157 N 0.14 4.31 -0.27 0.00 -1.94 0.32 -4.87 119.30 116.98 3hif s MET 157 Ca 0.25 1.28 -0.22 0.00 -1.71 0.00 0.00 55.69 55.29 3hif s MET 157 Cb -0.16 -2.46 -0.01 0.00 2.01 0.00 0.00 34.83 34.22 3hif s MET 157 CO 0.11 0.03 0.73 0.99 -0.01 0.00 0.00 175.02 176.88 3hif s THR 158 N -1.87 4.89 -0.05 2.05 2.01 -1.26 -1.11 115.64 120.29 3hif s THR 158 Ca 0.57 1.25 0.06 0.00 0.31 0.00 0.00 61.69 63.88 3hif s THR 158 Cb -0.15 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 3hif s THR 158 CO 0.20 -0.09 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.53 3hif s HIS 159 N 2.73 2.48 0.45 4.92 5.04 -0.34 -4.92 115.29 125.66 3hif s HIS 159 Ca 0.30 -0.49 0.30 0.00 -1.54 0.00 0.00 55.06 53.64 3hif s HIS 159 Cb -0.15 -1.59 1.42 0.00 0.04 0.00 0.00 32.58 32.31 3hif s HIS 159 CO 0.09 -0.06 1.64 -1.35 -2.34 0.00 0.00 174.74 172.72 3hif h PRO 160 N 5.74 0.10 0.07 2.88 0.11 -1.98 0.12 132.00 139.04 3hif h PRO 160 Ca -0.39 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.40 3hif h PRO 160 Cb 1.15 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3hif h PRO 160 CO 0.48 0.07 -1.77 -0.44 -0.21 0.00 0.00 178.00 176.13 3hif h ASP 161 N 0.10 0.22 0.00 -2.05 3.45 -1.95 -3.51 116.42 112.69 3hif h ASP 161 Ca 0.80 -0.44 0.00 0.00 0.43 0.00 0.00 57.03 57.82 3hif h ASP 161 Cb 2.54 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 41.24 3hif h ASP 161 CO -0.37 1.39 0.00 0.61 -1.57 0.00 0.00 179.24 179.30 3hif n GLY 162 N 1.73 0.67 3.26 2.75 0.00 0.42 -3.65 105.19 110.37 3hif n GLY 162 Ca -0.22 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hif n GLY 162 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hif s MET 163 N 3.50 2.56 -0.42 1.61 -1.94 0.27 -1.20 119.30 123.67 3hif s MET 163 Ca 0.00 -0.89 -0.08 0.00 -1.71 0.00 0.00 55.69 53.01 3hif s MET 163 Cb 0.00 -2.14 0.09 0.00 2.01 0.00 0.00 34.83 34.78 3hif s MET 163 CO 0.00 0.36 0.26 -1.14 -0.01 0.00 0.00 175.02 174.48 3hif s GLN 164 N -0.11 2.50 0.73 2.03 0.74 -0.27 0.53 119.66 125.82 3hif s GLN 164 Ca -0.05 -1.55 -0.03 0.00 0.05 0.00 0.00 55.36 53.78 3hif s GLN 164 Cb -0.14 -3.75 0.12 0.00 1.10 0.00 0.00 33.01 30.34 3hif s GLN 164 CO 0.04 -1.00 1.02 0.96 -0.55 0.00 0.00 175.29 175.76 3hif s ILE 165 N 1.37 2.17 -0.18 -2.34 -5.25 0.92 -0.53 121.20 117.38 3hif s ILE 165 Ca 0.04 -0.51 -0.00 0.00 -0.99 0.00 0.00 60.65 59.19 3hif s ILE 165 Cb -0.23 -2.67 0.04 0.00 2.95 0.00 0.00 42.46 42.55 3hif s ILE 165 CO 0.01 0.00 -0.07 -0.75 -1.79 0.00 0.00 174.94 172.34 3hif s LYS 166 N -5.21 1.64 -0.18 0.37 2.47 -1.26 -1.36 119.74 116.21 3hif s LYS 166 Ca 0.66 -0.63 -0.29 0.00 -1.56 0.00 0.00 55.97 54.15 3hif s LYS 166 Cb -0.06 -2.15 0.13 0.00 -1.46 0.00 0.00 37.83 34.29 3hif s LYS 166 CO 0.45 -0.43 1.00 -1.50 0.16 0.00 0.00 175.35 175.03 3hif s ILE 167 N 1.55 0.00 0.53 5.43 2.07 -0.26 -5.03 121.20 125.50 3hif s ILE 167 Ca 0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3hif s ILE 167 Cb -0.16 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.45 3hif s ILE 167 CO -0.08 0.00 0.79 0.42 -1.91 0.00 0.00 174.94 174.16 3hif s THR 168 N -0.89 3.49 0.24 4.00 -4.23 -1.26 -4.55 115.64 112.44 3hif s THR 168 Ca -0.01 -0.36 0.05 0.00 -1.18 0.00 0.00 61.69 60.19 3hif s THR 168 Cb -0.01 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3hif s THR 168 CO 0.00 -0.28 1.56 0.03 -0.54 0.00 0.00 174.62 175.40 3hif h ARG 169 N 0.08 0.22 0.00 3.99 3.08 -1.96 -2.92 114.38 116.87 3hif h ARG 169 Ca -0.45 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.27 3hif h ARG 169 Cb 1.27 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3hif h ARG 169 CO 0.57 0.76 -0.87 -0.56 -1.07 0.00 0.00 179.97 178.81 3hif h GLN 170 N 0.16 0.02 -0.44 0.04 -0.00 -1.95 -2.75 115.11 110.19 3hif h GLN 170 Ca -0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 3hif h GLN 170 Cb 1.11 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 28.58 3hif h GLN 170 CO 0.09 0.87 0.12 0.93 -0.00 0.00 0.00 178.83 180.84 3hif h GLU 171 N 0.01 0.70 -0.40 0.06 5.08 -1.95 0.06 114.58 118.15 3hif h GLU 171 Ca -0.01 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3hif h GLU 171 Cb 1.52 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 3hif h GLU 171 CO 0.11 0.69 0.23 0.82 -1.00 0.00 0.00 179.01 179.87 3hif h ILE 172 N 0.58 1.04 -0.63 3.13 1.08 -1.49 -0.36 117.51 120.85 3hif h ILE 172 Ca 0.14 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3hif h ILE 172 Cb 0.30 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3hif h ILE 172 CO -0.00 0.09 0.31 1.23 -0.69 0.00 0.00 178.15 179.09 3hif h GLY 173 N 0.47 0.97 0.95 5.37 0.00 -1.29 -0.42 103.07 109.12 3hif h GLY 173 Ca 0.16 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3hif h GLY 173 CO -0.08 0.45 0.18 -1.61 0.00 0.00 0.00 176.54 175.48 3hif h GLN 174 N 0.87 0.55 -0.31 4.80 4.15 -0.70 0.77 115.11 125.24 3hif h GLN 174 Ca 0.22 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 3hif h GLN 174 Cb 0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3hif h GLN 174 CO -0.03 0.50 0.11 0.82 -1.93 0.00 0.00 178.83 178.30 3hif h ILE 175 N 0.48 1.19 0.05 2.39 1.08 -0.85 -3.20 117.51 118.66 3hif h ILE 175 Ca 0.13 -0.60 -0.23 0.00 -0.39 0.00 0.00 64.86 63.76 3hif h ILE 175 Cb 0.13 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3hif h ILE 175 CO -0.02 0.21 -1.08 0.58 -0.69 0.00 0.00 178.15 177.15 3hif h VAL 176 N 0.35 1.61 -0.33 1.67 2.07 -0.99 -3.48 116.25 117.14 3hif h VAL 176 Ca 0.10 -3.19 0.00 0.00 0.82 0.00 0.00 66.70 64.43 3hif h VAL 176 Cb 0.21 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3hif h VAL 176 CO -0.01 0.92 0.00 0.61 0.02 0.00 0.00 177.57 179.11 3hif n GLY 177 N 1.36 0.76 3.21 2.17 0.00 0.24 -5.07 105.19 107.86 3hif n GLY 177 Ca -0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 3hif n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hif s SER 179 N -3.14 3.82 0.42 0.00 1.04 -1.26 -4.29 113.70 110.28 3hif s SER 179 Ca 0.27 1.63 0.15 0.00 0.48 0.00 0.00 55.95 58.49 3hif s SER 179 Cb 0.07 -2.31 0.90 0.00 0.10 0.00 0.00 66.02 64.78 3hif s SER 179 CO 0.05 -2.44 1.91 -0.09 0.98 0.00 0.00 173.24 173.65 3hif h ARG 180 N -1.41 0.00 -0.15 4.02 2.43 -1.94 -2.83 114.38 114.49 3hif h ARG 180 Ca -0.47 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.51 3hif h ARG 180 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hif h ARG 180 CO 0.53 0.27 -0.68 0.93 -1.51 0.00 0.00 179.97 179.51 3hif h GLU 181 N 0.00 0.61 -0.36 0.20 3.07 -1.95 -2.89 114.58 113.26 3hif h GLU 181 Ca -0.00 -0.46 -0.05 0.00 -0.50 0.00 0.00 59.36 58.35 3hif h GLU 181 Cb 0.50 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 3hif h GLU 181 CO 0.04 1.08 0.01 1.15 -1.40 0.00 0.00 179.01 179.89 3hif h THR 182 N 0.44 1.20 -0.32 1.13 2.02 -1.87 -2.27 112.91 113.24 3hif h THR 182 Ca -0.02 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3hif h THR 182 Cb 1.27 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3hif h THR 182 CO 0.13 0.27 0.04 0.58 0.37 0.00 0.00 175.52 176.91 3hif h VAL 183 N 0.53 1.24 -0.53 3.16 2.07 -1.44 -2.41 116.25 118.87 3hif h VAL 183 Ca 0.11 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3hif h VAL 183 Cb 0.32 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3hif h VAL 183 CO 0.01 0.28 0.35 1.23 0.02 0.00 0.00 177.57 179.45 3hif h GLY 184 N 0.35 0.75 1.56 2.17 0.00 -1.27 0.17 103.07 106.81 3hif h GLY 184 Ca 0.10 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3hif h GLY 184 CO 0.01 0.28 -0.15 -0.09 0.00 0.00 0.00 176.54 176.60 3hif h ARG 185 N 0.72 0.53 0.04 4.80 2.43 -1.39 -1.28 114.38 120.23 3hif h ARG 185 Ca 0.19 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.98 3hif h ARG 185 Cb -0.07 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3hif h ARG 185 CO -0.04 0.66 -0.91 0.82 -1.51 0.00 0.00 179.97 179.00 3hif h ILE 186 N 0.48 1.36 -0.49 1.20 2.04 -1.08 -2.83 117.51 118.19 3hif h ILE 186 Ca 0.09 -2.26 0.09 0.00 1.00 0.00 0.00 64.86 63.77 3hif h ILE 186 Cb 0.54 2.62 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 3hif h ILE 186 CO 0.03 0.68 0.33 -0.07 0.00 0.00 0.00 178.15 179.12 3hif h LEU 187 N 0.10 0.23 0.19 1.44 4.07 -0.56 -0.90 115.31 119.88 3hif h LEU 187 Ca -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 3hif h LEU 187 Cb 1.60 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.30 3hif h LEU 187 CO 0.18 0.14 -0.09 0.50 -1.08 0.00 0.00 178.44 178.09 3hif h LYS 188 N 0.26 -0.24 0.00 1.13 3.64 -1.11 -2.08 116.57 118.16 3hif h LYS 188 Ca 0.22 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3hif h LYS 188 Cb 0.55 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3hif h LYS 188 CO -0.05 -0.00 -0.30 1.98 -2.27 0.00 0.00 179.45 178.81 3hif h MET 189 N -0.46 0.00 0.00 1.90 4.05 -1.19 -2.08 114.93 117.15 3hif h MET 189 Ca -0.03 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.26 3hif h MET 189 Cb 0.35 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 3hif h MET 189 CO 0.04 0.30 -0.65 -0.07 0.23 0.00 0.00 176.91 176.76 3hif h LEU 190 N 0.00 0.00 0.00 3.39 3.38 -1.10 -2.43 115.31 118.55 3hif h LEU 190 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 3hif h LEU 190 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3hif h LEU 190 CO 0.04 0.65 -1.07 -0.08 0.09 0.00 0.00 178.44 178.07 3hif h GLU 191 N 0.00 0.00 0.00 1.13 4.81 -1.13 -2.75 114.58 116.64 3hif h GLU 191 Ca -0.01 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3hif h GLU 191 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 3hif h GLU 191 CO 0.08 0.72 -0.57 -0.44 -0.73 0.00 0.00 179.01 178.08 3hif h ASP 192 N 0.00 0.00 -0.06 1.04 3.32 -1.31 -2.89 116.42 116.53 3hif h ASP 192 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3hif h ASP 192 Cb 1.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.26 3hif h ASP 192 CO 0.10 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.19 3hif n GLN 193 N -3.65 1.24 -3.43 3.56 1.13 -0.92 -4.90 117.38 110.39 3hif n GLN 193 Ca -0.01 -0.35 -0.20 0.00 -1.94 0.00 0.00 57.00 54.50 3hif n GLN 193 Cb 0.62 -1.31 0.07 0.00 0.11 0.00 0.00 30.24 29.73 3hif n GLN 193 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hif n ASN 194 N -0.42 -4.94 -0.05 1.08 3.02 -1.09 -4.81 115.26 108.05 3hif n ASN 194 Ca 0.14 -0.50 -0.06 0.00 -0.03 0.00 0.00 54.58 54.13 3hif n ASN 194 Cb 0.15 -4.59 -0.06 0.00 -0.61 0.00 0.00 39.78 34.66 3hif n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hif n LEU 195 N -4.36 1.59 -4.21 3.41 4.77 -1.05 -4.92 117.00 112.23 3hif n LEU 195 Ca -0.06 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 3hif n LEU 195 Cb 0.58 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 3hif n LEU 195 CO 0.57 0.46 -0.20 0.27 -1.33 0.00 0.00 177.39 177.16 3hif s ILE 196 N -2.21 0.00 -0.04 -0.08 -4.36 -1.15 -2.15 121.20 111.20 3hif s ILE 196 Ca -0.10 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 3hif s ILE 196 Cb 0.03 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.28 3hif s ILE 196 CO 0.29 0.00 0.03 -0.94 0.24 0.00 0.00 174.94 174.56 3hif s SER 197 N -3.20 1.00 -0.19 4.36 1.04 -1.21 -4.22 113.70 111.27 3hif s SER 197 Ca 0.39 0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.74 3hif s SER 197 Cb 0.06 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 3hif s SER 197 CO 0.15 -0.18 0.08 0.00 0.98 0.00 0.00 173.24 174.27 3hif s ALA 198 N 1.72 3.46 -0.41 5.32 0.00 -1.26 -2.11 121.76 128.48 3hif s ALA 198 Ca -0.00 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.25 3hif s ALA 198 Cb -0.13 -2.01 0.17 0.00 0.00 0.00 0.00 23.12 21.16 3hif s ALA 198 CO -0.03 0.11 0.51 -1.58 0.00 0.00 0.00 175.76 174.77 3hif s HIS 199 N 0.49 -0.90 0.00 0.00 2.46 -0.78 -5.05 115.29 111.52 3hif s HIS 199 Ca 0.04 -0.51 0.00 0.00 0.47 0.00 0.00 55.06 55.07 3hif s HIS 199 Cb -0.12 -0.08 0.00 0.00 -0.13 0.00 0.00 32.58 32.25 3hif s HIS 199 CO 0.00 -1.08 0.00 0.41 -2.47 0.00 0.00 174.74 171.61 3hif n GLY 200 N 4.03 1.89 0.11 1.59 0.00 -1.26 -2.74 105.19 108.81 3hif n GLY 200 Ca 0.13 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3hif n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hif n LYS 201 N 12.45 0.33 -3.39 1.61 4.01 -1.26 -4.86 118.16 127.05 3hif n LYS 201 Ca 0.00 -0.22 -0.38 0.00 -0.51 0.00 0.00 58.31 57.20 3hif n LYS 201 Cb 0.00 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 32.95 3hif n LYS 201 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3hif s THR 202 N -2.82 5.20 -0.03 -0.18 2.01 -1.11 -1.10 115.64 117.61 3hif s THR 202 Ca 0.15 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.88 3hif s THR 202 Cb 0.18 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 3hif s THR 202 CO 0.67 0.25 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.11 3hif s ILE 203 N 1.32 0.94 0.45 1.82 1.01 -0.47 -1.86 121.20 124.41 3hif s ILE 203 Ca 0.19 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3hif s ILE 203 Cb -0.15 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3hif s ILE 203 CO 0.08 0.28 0.53 -0.69 0.00 0.00 0.00 174.94 175.14 3hif s VAL 204 N 0.05 2.70 0.01 2.92 1.01 -0.90 0.31 120.40 126.51 3hif s VAL 204 Ca -0.01 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 3hif s VAL 204 Cb -0.08 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3hif s VAL 204 CO 0.01 0.00 0.04 -0.69 0.00 0.00 0.00 175.10 174.46 3hif s VAL 205 N -2.46 0.08 0.41 2.92 1.01 2.07 -3.35 120.40 121.10 3hif s VAL 205 Ca 0.53 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3hif s VAL 205 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3hif s VAL 205 CO 0.32 -0.38 0.62 -0.31 0.00 0.00 0.00 175.10 175.35 3hif s TYR 206 N -1.20 3.27 0.00 5.22 4.12 -0.92 0.95 117.35 128.79 3hif s TYR 206 Ca -0.13 0.21 0.00 0.00 0.02 0.00 0.00 57.07 57.16 3hif s TYR 206 Cb -0.08 -2.19 0.00 0.00 -1.52 0.00 0.00 41.96 38.18 3hif s TYR 206 CO 0.00 -0.22 0.00 0.41 0.02 0.00 0.00 175.55 175.76