#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 6.50 0.25 3.42 3.68 -1.26 -4.91 116.67 124.35 3hif s ASP 8 Ca 0.00 0.89 -0.03 0.00 2.13 0.00 0.00 52.55 55.54 3hif s ASP 8 Cb 0.00 -2.54 0.29 0.00 -1.45 0.00 0.00 42.92 39.22 3hif s ASP 8 CO 0.00 -1.29 1.73 -0.65 0.13 0.00 0.00 175.17 175.09 3hif h PRO 9 N 9.97 0.80 0.02 4.34 0.11 -2.04 -3.15 132.00 142.05 3hif h PRO 9 Ca -0.26 -0.24 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hif h PRO 9 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hif h PRO 9 CO 1.08 0.84 -0.01 1.79 -0.21 0.00 0.00 178.00 181.49 3hif h THR 10 N 0.74 0.00 -1.00 -1.15 1.35 -1.96 -3.34 112.91 107.55 3hif h THR 10 Ca 0.14 -0.04 0.32 0.00 -0.55 0.00 0.00 66.41 66.27 3hif h THR 10 Cb 0.52 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.86 3hif h THR 10 CO 0.03 0.00 0.68 0.18 -0.25 0.00 0.00 175.52 176.15 3hif n LEU 11 N -2.18 0.08 0.07 3.87 7.99 -1.25 0.15 117.00 125.72 3hif n LEU 11 Ca -0.00 0.76 0.12 0.00 -0.01 0.00 0.00 56.01 56.88 3hif n LEU 11 Cb 0.01 -0.38 0.08 0.00 -0.11 0.00 0.00 43.42 43.03 3hif n LEU 11 CO 0.01 -0.81 0.17 -0.08 -1.51 0.00 0.00 177.39 175.17 3hif h GLU 12 N 0.00 0.00 -0.63 3.23 4.81 -1.74 -2.72 114.58 117.54 3hif h GLU 12 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3hif h GLU 12 Cb 1.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.36 3hif h GLU 12 CO -0.18 0.00 0.00 1.87 -0.73 0.00 0.00 179.01 179.97 3hif n TRP 13 N -2.28 1.40 0.00 0.92 -0.00 0.39 -3.59 117.44 114.28 3hif n TRP 13 Ca 0.02 -0.61 0.00 0.00 -0.00 0.00 0.00 57.50 56.90 3hif n TRP 13 Cb 0.48 -0.23 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 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 1.06 0.00 0.17 5.87 -0.00 -0.71 -4.59 117.46 119.26 3hif n PHE 14 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.72 3hif n PHE 14 Cb 0.86 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 40.45 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 0.00 -7.80 -2.13 3.38 -1.72 1.16 115.31 108.20 3hif h LEU 15 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 3hif h LEU 15 Cb 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.53 3hif h LEU 15 CO 0.00 0.00 0.68 -0.94 0.09 0.00 0.00 178.44 178.27 3hif s SER 16 N -2.78 6.91 0.00 -0.43 1.04 -1.24 -3.87 113.70 113.33 3hif s SER 16 Ca -0.00 -2.75 0.00 0.00 0.48 0.00 0.00 55.95 53.68 3hif s SER 16 Cb 0.01 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3hif s SER 16 CO 0.04 -0.70 0.00 1.41 0.98 0.00 0.00 173.24 174.96 3hif n HIS 17 N 4.89 0.00 -2.11 5.02 -0.00 0.40 -4.75 115.22 118.67 3hif n HIS 17 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 3hif n HIS 17 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 3hif n HIS 17 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hif s HIS 19 N 1.26 -0.56 0.19 0.00 3.76 -0.81 -4.96 115.29 114.16 3hif s HIS 19 Ca 0.00 0.48 -0.29 0.00 -0.15 0.00 0.00 55.06 55.10 3hif s HIS 19 Cb 0.00 -0.19 -0.08 0.00 1.11 0.00 0.00 32.58 33.43 3hif s HIS 19 CO 0.00 -0.69 0.92 0.42 -0.85 0.00 0.00 174.74 174.54 3hif s ILE 20 N 2.44 4.25 0.00 0.60 1.09 -1.26 -2.11 121.20 126.21 3hif s ILE 20 Ca 0.10 2.03 0.01 0.00 -1.10 0.00 0.00 60.65 61.69 3hif s ILE 20 Cb -0.15 -4.30 -0.01 0.00 -1.06 0.00 0.00 42.46 36.94 3hif s ILE 20 CO -0.16 0.44 -0.03 -1.00 -0.10 0.00 0.00 174.94 174.09 3hif s HIS 21 N -0.79 0.29 -0.16 3.97 3.76 0.55 -4.98 115.29 117.93 3hif s HIS 21 Ca 0.42 -0.12 -0.10 0.00 -0.15 0.00 0.00 55.06 55.11 3hif s HIS 21 Cb -0.25 -0.18 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 3hif s HIS 21 CO 0.30 -0.02 0.18 0.15 -0.85 0.00 0.00 174.74 174.50 3hif s LYS 22 N -0.28 4.01 -0.25 1.40 1.02 -1.26 -1.05 119.74 123.33 3hif s LYS 22 Ca -0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 3hif s LYS 22 Cb -0.02 -3.36 0.08 0.00 -0.52 0.00 0.00 37.83 34.00 3hif s LYS 22 CO -0.00 0.42 0.04 0.71 -0.92 0.00 0.00 175.35 175.60 3hif s TYR 23 N -0.02 1.64 0.89 3.18 2.02 -0.52 -5.01 117.35 119.53 3hif s TYR 23 Ca 0.12 -1.43 -0.15 0.00 -0.37 0.00 0.00 57.07 55.24 3hif s TYR 23 Cb -0.12 -1.44 -0.06 0.00 -0.40 0.00 0.00 41.96 39.94 3hif s TYR 23 CO 0.01 -0.75 -0.04 -0.35 -1.57 0.00 0.00 175.55 172.85 3hif n PRO 24 N 4.87 -0.06 -1.03 -1.71 -0.04 -1.26 -2.60 135.00 133.17 3hif n PRO 24 Ca -0.07 0.01 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 3hif n PRO 24 Cb 0.44 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 3hif n PRO 24 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hif s SER 25 N -1.49 3.74 0.00 3.54 1.04 -1.26 -2.67 113.70 116.60 3hif s SER 25 Ca 0.52 2.06 0.00 0.00 0.48 0.00 0.00 55.95 59.02 3hif s SER 25 Cb -0.25 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3hif s SER 25 CO 0.71 -2.55 0.00 0.29 0.98 0.00 0.00 173.24 172.67 3hif n LYS 26 N -3.73 0.00 -2.23 4.02 4.01 2.08 -4.91 118.16 117.40 3hif n LYS 26 Ca 0.11 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.55 3hif n LYS 26 Cb 0.52 -3.25 0.00 0.00 -0.51 0.00 0.00 35.03 31.79 3hif n LYS 26 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hif s SER 27 N -1.38 5.87 0.15 4.39 1.04 -1.09 -4.66 113.70 118.02 3hif s SER 27 Ca 0.00 2.26 -0.13 0.00 0.48 0.00 0.00 55.95 58.56 3hif s SER 27 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 3hif s SER 27 CO 0.00 -1.12 0.53 -0.89 0.98 0.00 0.00 173.24 172.74 3hif s THR 28 N -1.65 4.89 -0.07 2.02 2.01 -1.26 -1.38 115.64 120.20 3hif s THR 28 Ca 0.69 0.75 0.02 0.00 0.31 0.00 0.00 61.69 63.46 3hif s THR 28 Cb -0.27 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 3hif s THR 28 CO 0.31 0.22 0.08 0.18 -0.69 0.00 0.00 174.62 174.72 3hif n LEU 29 N 0.72 0.07 0.00 4.42 4.77 0.18 -4.93 117.00 122.23 3hif n LEU 29 Ca -0.05 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3hif n LEU 29 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hif n LEU 29 CO 0.43 0.02 0.00 -0.38 -1.33 0.00 0.00 177.39 176.12 3hif n ILE 30 N -1.25 0.00 -3.61 -0.08 5.41 -1.10 -4.89 119.36 113.83 3hif n ILE 30 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3hif n ILE 30 Cb 0.05 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.91 3hif n ILE 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3hif s HIS 31 N -0.81 -0.57 0.63 1.39 3.76 -1.26 -4.58 115.29 113.85 3hif s HIS 31 Ca 0.00 1.29 -0.15 0.00 -0.15 0.00 0.00 55.06 56.06 3hif s HIS 31 Cb 0.00 0.35 -0.02 0.00 1.11 0.00 0.00 32.58 34.03 3hif s HIS 31 CO 0.00 -0.33 1.07 -1.14 -0.85 0.00 0.00 174.74 173.49 3hif s GLN 32 N -0.08 3.11 0.00 1.40 0.74 -1.26 -2.91 119.66 120.66 3hif s GLN 32 Ca -0.00 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.62 3hif s GLN 32 Cb -0.04 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 32.07 3hif s GLN 32 CO -0.01 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 174.16 3hif n GLY 33 N -1.04 0.64 0.00 2.59 0.00 -1.16 -4.72 105.19 101.50 3hif n GLY 33 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3hif n GLY 33 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hif n GLU 34 N -1.57 0.00 -3.15 1.61 2.13 -1.15 -3.83 120.64 114.68 3hif n GLU 34 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3hif n GLU 34 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 3hif n GLU 34 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hif s LYS 35 N 0.00 0.36 0.00 5.31 2.47 -1.26 -4.56 119.74 122.06 3hif s LYS 35 Ca 0.00 0.54 0.00 0.00 -1.56 0.00 0.00 55.97 54.95 3hif s LYS 35 Cb 0.00 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.66 3hif s LYS 35 CO 0.00 -0.48 0.00 0.00 0.16 0.00 0.00 175.35 175.03 3hif n ALA 36 N 5.39 0.00 -0.51 3.13 0.00 -1.26 -4.84 120.51 122.42 3hif n ALA 36 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3hif n ALA 36 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3hif n ALA 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hif n GLU 37 N 0.00 -1.15 -1.49 0.00 2.13 -1.26 -5.03 120.64 113.84 3hif n GLU 37 Ca 0.00 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3hif n GLU 37 Cb 0.00 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.35 3hif n GLU 37 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3hif n THR 38 N -3.00 -3.33 -0.08 6.31 -2.24 -1.26 -4.69 114.28 105.98 3hif n THR 38 Ca -0.02 1.56 -0.12 0.00 -2.27 0.00 0.00 64.05 63.20 3hif n THR 38 Cb 0.24 -2.25 -0.07 0.00 -2.10 0.00 0.00 70.33 66.15 3hif n THR 38 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3hif n LEU 39 N -1.44 2.78 -2.04 3.22 7.94 -1.15 -4.44 117.00 121.87 3hif n LEU 39 Ca 0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 3hif n LEU 39 Cb 0.12 -0.56 0.00 0.00 0.53 0.00 0.00 43.42 43.51 3hif n LEU 39 CO 0.00 0.72 -0.40 -1.22 -1.11 0.00 0.00 177.39 175.39 3hif n TYR 40 N -3.06 -3.95 -3.96 1.96 4.01 -1.24 -4.04 117.16 106.88 3hif n TYR 40 Ca -0.29 2.35 -0.09 0.00 -0.16 0.00 0.00 57.90 59.71 3hif n TYR 40 Cb 0.80 -3.48 -0.10 0.00 -0.31 0.00 0.00 39.34 36.25 3hif n TYR 40 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3hif s TYR 41 N -0.48 0.25 -0.21 -0.72 6.04 0.33 -1.64 117.35 120.93 3hif s TYR 41 Ca 0.00 -0.58 -0.19 0.00 0.04 0.00 0.00 57.07 56.34 3hif s TYR 41 Cb 0.00 -0.18 -0.03 0.00 -1.04 0.00 0.00 41.96 40.70 3hif s TYR 41 CO 0.00 -0.33 0.53 0.42 -1.54 0.00 0.00 175.55 174.62 3hif s ILE 42 N -2.55 5.10 -0.03 3.14 1.09 -1.15 -0.46 121.20 126.33 3hif s ILE 42 Ca -0.06 0.96 0.08 0.00 -1.10 0.00 0.00 60.65 60.53 3hif s ILE 42 Cb -0.02 -3.85 -0.24 0.00 -1.06 0.00 0.00 42.46 37.30 3hif s ILE 42 CO -0.05 0.16 0.70 0.58 -0.10 0.00 0.00 174.94 176.24 3hif h VAL 43 N 5.15 0.93 -1.18 2.92 2.07 -1.60 -3.01 116.25 121.54 3hif h VAL 43 Ca -0.33 -2.73 0.16 0.00 0.82 0.00 0.00 66.70 64.62 3hif h VAL 43 Cb 1.15 2.51 -0.26 0.00 -1.52 0.00 0.00 31.29 33.17 3hif h VAL 43 CO 0.74 0.63 0.36 -0.54 0.02 0.00 0.00 177.57 178.78 3hif s LYS 44 N -2.61 0.29 0.00 1.57 1.02 -1.03 -4.81 119.74 114.17 3hif s LYS 44 Ca -0.07 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.52 3hif s LYS 44 Cb 0.08 0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 3hif s LYS 44 CO 0.82 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 3hif n GLY 45 N 4.23 -0.25 3.11 -3.33 0.00 -1.26 -1.49 105.19 106.20 3hif n GLY 45 Ca -0.14 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.59 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 0.39 0.17 1.61 1.04 -1.26 -0.97 113.70 110.69 3hif s SER 46 Ca 0.00 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.49 3hif s SER 46 Cb 0.00 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3hif s SER 46 CO 0.00 -0.61 0.18 0.68 0.98 0.00 0.00 173.24 174.47 3hif s VAL 47 N -3.75 0.05 0.06 5.02 -7.23 -0.74 -2.24 120.40 111.58 3hif s VAL 47 Ca 0.05 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.55 3hif s VAL 47 Cb 0.06 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 3hif s VAL 47 CO -0.10 -0.25 -0.18 0.00 -0.31 0.00 0.00 175.10 174.26 3hif s ALA 48 N -4.05 1.56 -0.48 1.32 0.00 -0.44 -1.19 121.76 118.48 3hif s ALA 48 Ca 0.26 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 3hif s ALA 48 Cb 0.05 -0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.01 3hif s ALA 48 CO 0.05 0.32 0.40 0.08 0.00 0.00 0.00 175.76 176.61 3hif s VAL 49 N -0.95 5.13 0.05 0.00 1.01 -0.30 -2.47 120.40 122.86 3hif s VAL 49 Ca 0.05 -1.18 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 3hif s VAL 49 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3hif s VAL 49 CO 0.02 -0.63 0.34 -0.76 0.00 0.00 0.00 175.10 174.08 3hif s LEU 50 N 1.61 4.35 0.12 3.92 2.01 -1.23 -1.61 118.68 127.85 3hif s LEU 50 Ca 0.04 0.67 -0.09 0.00 0.01 0.00 0.00 54.13 54.76 3hif s LEU 50 Cb -0.25 -2.87 -0.00 0.00 0.01 0.00 0.00 46.19 43.07 3hif s LEU 50 CO 0.05 0.20 0.23 0.27 1.01 0.00 0.00 176.35 178.11 3hif s ILE 51 N -1.37 0.11 -0.11 -0.59 -5.25 -0.96 -2.76 121.20 110.27 3hif s ILE 51 Ca 0.31 -1.25 -0.02 0.00 -0.99 0.00 0.00 60.65 58.70 3hif s ILE 51 Cb -0.13 -1.54 -0.03 0.00 2.95 0.00 0.00 42.46 43.71 3hif s ILE 51 CO 0.18 -0.50 -0.04 -0.54 -1.79 0.00 0.00 174.94 172.24 3hif s LYS 52 N -3.90 3.22 0.04 0.37 1.02 -1.26 -0.70 119.74 118.53 3hif s LYS 52 Ca 0.10 -0.51 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 3hif s LYS 52 Cb 0.04 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 3hif s LYS 52 CO -0.07 0.47 0.05 -0.40 -0.92 0.00 0.00 175.35 174.49 3hif n ASP 53 N 2.82 0.05 -4.74 2.83 3.85 -1.24 -4.90 116.55 115.21 3hif n ASP 53 Ca -0.18 -1.05 -0.41 0.00 -0.71 0.00 0.00 54.79 52.44 3hif n ASP 53 Cb 0.53 -0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 40.23 3hif n ASP 53 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3hif s GLU 54 N -2.69 4.35 0.00 0.11 2.02 -1.26 -1.95 118.70 119.28 3hif s GLU 54 Ca 0.03 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.16 3hif s GLU 54 Cb -0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3hif s GLU 54 CO 0.02 -0.30 0.00 0.39 0.02 0.00 0.00 175.26 175.39 3hif n GLU 55 N 2.45 0.00 -1.60 1.61 -0.58 -1.26 -4.76 120.64 116.50 3hif n GLU 55 Ca 0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3hif n GLU 55 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 3hif n GLU 55 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hif n GLY 56 N 0.00 -0.23 3.05 0.62 0.00 -0.82 -5.10 105.19 102.70 3hif n GLY 56 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 3hif n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hif s LYS 57 N -3.01 0.86 -0.38 1.61 1.02 -1.26 -4.94 119.74 113.63 3hif s LYS 57 Ca 0.00 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 3hif s LYS 57 Cb -0.00 -0.83 -0.08 0.00 -0.52 0.00 0.00 37.83 36.40 3hif s LYS 57 CO 0.05 0.23 2.32 0.39 -0.92 0.00 0.00 175.35 177.41 3hif n GLU 58 N 2.82 1.38 -3.77 1.68 1.02 -1.26 -3.70 120.64 118.81 3hif n GLU 58 Ca -0.14 0.26 -0.37 0.00 -0.02 0.00 0.00 57.16 56.89 3hif n GLU 58 Cb 0.56 -3.13 -0.13 0.00 -0.02 0.00 0.00 31.44 28.73 3hif n GLU 58 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3hif s MET 59 N 7.23 3.00 0.39 3.49 -2.45 0.13 -4.98 119.30 126.10 3hif s MET 59 Ca 1.03 -0.92 -0.24 0.00 -1.25 0.00 0.00 55.69 54.31 3hif s MET 59 Cb -0.39 -3.35 -0.09 0.00 1.25 0.00 0.00 34.83 32.24 3hif s MET 59 CO 0.34 -0.47 1.01 0.42 1.05 0.00 0.00 175.02 177.37 3hif s ILE 60 N 1.47 3.91 -0.02 10.11 -1.09 -1.26 -2.26 121.20 132.06 3hif s ILE 60 Ca 0.02 1.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.90 3hif s ILE 60 Cb -0.17 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3hif s ILE 60 CO 0.02 -0.01 0.00 0.18 -1.23 0.00 0.00 174.94 173.90 3hif n LEU 61 N -0.03 0.68 -3.61 2.97 4.77 -0.63 -4.97 117.00 116.17 3hif n LEU 61 Ca 0.05 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 3hif n LEU 61 Cb 0.50 0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3hif n LEU 61 CO 0.44 0.16 1.06 -0.55 -1.33 0.00 0.00 177.39 177.17 3hif s SER 62 N -3.48 -0.08 -0.01 -1.43 0.15 -1.26 -5.00 113.70 102.60 3hif s SER 62 Ca -0.02 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.63 3hif s SER 62 Cb 0.01 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3hif s SER 62 CO 0.08 -0.25 -0.22 -0.31 1.20 0.00 0.00 173.24 173.74 3hif s TYR 63 N -2.38 2.45 -0.20 3.44 2.02 -1.26 -1.15 117.35 120.26 3hif s TYR 63 Ca 0.12 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3hif s TYR 63 Cb 0.03 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 3hif s TYR 63 CO -0.04 0.08 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.34 3hif s LEU 64 N -0.86 2.49 0.31 -1.29 1.43 -0.33 -4.96 118.68 115.48 3hif s LEU 64 Ca 0.11 -0.81 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 3hif s LEU 64 Cb -0.10 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 3hif s LEU 64 CO 0.01 -0.05 0.31 0.20 0.23 0.00 0.00 176.35 177.05 3hif s ASN 65 N 1.26 5.54 -0.15 2.29 0.01 -1.26 -1.79 114.94 120.84 3hif s ASN 65 Ca 0.02 -0.35 -0.29 0.00 -0.71 0.00 0.00 52.86 51.53 3hif s ASN 65 Cb -0.15 -1.16 -0.13 0.00 0.41 0.00 0.00 41.25 40.22 3hif s ASN 65 CO -0.10 -0.29 0.87 1.67 -1.51 0.00 0.00 177.10 177.73 3hif n GLN 66 N -1.39 0.00 -0.14 -0.60 7.27 -0.14 -0.85 117.38 121.52 3hif n GLN 66 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 3hif n GLN 66 Cb 0.59 -1.00 0.00 0.00 2.41 0.00 0.00 30.24 32.24 3hif n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hif n GLY 67 N 1.74 0.85 3.74 1.69 0.00 -1.14 -5.00 105.19 107.07 3hif n GLY 67 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.21 4.91 -0.19 1.61 1.01 -0.03 -5.00 116.67 116.76 3hif s ASP 68 Ca 0.00 -0.56 -0.03 0.00 0.71 0.00 0.00 52.55 52.67 3hif s ASP 68 Cb 0.00 -0.98 -0.01 0.00 1.01 0.00 0.00 42.92 42.94 3hif s ASP 68 CO 0.00 -0.12 -0.05 -0.36 0.21 0.00 0.00 175.17 174.85 3hif s PHE 69 N -2.30 2.95 0.37 4.23 0.08 -1.26 -2.93 117.98 119.12 3hif s PHE 69 Ca 0.34 -0.73 -0.24 0.00 0.12 0.00 0.00 56.93 56.42 3hif s PHE 69 Cb -0.06 -2.04 -0.10 0.00 -0.57 0.00 0.00 43.02 40.25 3hif s PHE 69 CO 0.23 -0.38 0.95 0.42 -0.10 0.00 0.00 175.22 176.34 3hif s ILE 70 N 1.07 4.26 -0.03 0.64 1.01 -0.65 -4.56 121.20 122.93 3hif s ILE 70 Ca 0.01 1.68 -0.03 0.00 0.00 0.00 0.00 60.65 62.32 3hif s ILE 70 Cb -0.15 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.48 3hif s ILE 70 CO -0.00 -0.03 0.05 0.61 0.00 0.00 0.00 174.94 175.56 3hif n GLY 71 N 0.11 0.01 0.10 6.18 0.00 -1.26 -4.58 105.19 105.75 3hif n GLY 71 Ca 0.04 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 3hif n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hif n GLU 72 N 0.73 0.40 -0.50 1.61 0.00 -1.26 -4.49 120.64 117.14 3hif n GLU 72 Ca -0.01 0.10 0.38 0.00 0.00 0.00 0.00 57.16 57.63 3hif n GLU 72 Cb 0.25 -1.32 0.59 0.00 0.00 0.00 0.00 31.44 30.96 3hif n GLU 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hif n LEU 73 N -3.01 0.02 0.12 -1.84 4.77 -1.26 0.21 117.00 116.02 3hif n LEU 73 Ca -0.29 0.77 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 3hif n LEU 73 Cb 0.80 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.62 3hif n LEU 73 CO 0.16 -0.78 0.43 1.23 -1.33 0.00 0.00 177.39 177.10 3hif h GLY 74 N 0.00 0.00 1.54 -0.72 0.00 -1.90 -3.32 103.07 98.67 3hif h GLY 74 Ca 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.96 3hif h GLY 74 CO -0.05 0.00 0.02 -2.00 0.00 0.00 0.00 176.54 174.51 3hif h LEU 75 N 0.00 0.53 -1.19 3.11 5.85 0.22 -2.92 115.31 120.91 3hif h LEU 75 Ca -0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3hif h LEU 75 Cb 1.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3hif h LEU 75 CO 0.09 0.59 0.00 0.49 -0.34 0.00 0.00 178.44 179.27 3hif n PHE 76 N -4.28 0.36 -2.72 1.25 3.72 -1.25 -4.16 117.46 110.38 3hif n PHE 76 Ca 0.02 -0.18 -0.06 0.00 -0.05 0.00 0.00 57.45 57.18 3hif n PHE 76 Cb 0.24 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 3hif n PHE 76 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3hif n GLU 77 N 0.42 0.51 -1.84 -1.08 0.28 -1.11 -5.12 120.64 112.69 3hif n GLU 77 Ca 0.13 -1.46 -0.42 0.00 -0.16 0.00 0.00 57.16 55.25 3hif n GLU 77 Cb 0.30 -1.02 -0.03 0.00 1.43 0.00 0.00 31.44 32.12 3hif n GLU 77 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3hif s GLU 78 N 0.63 4.17 0.06 3.44 2.02 -1.16 -3.77 118.70 124.08 3hif s GLU 78 Ca 0.29 2.44 0.16 0.00 0.02 0.00 0.00 54.97 57.89 3hif s GLU 78 Cb 0.17 -3.56 0.69 0.00 0.10 0.00 0.00 34.13 31.53 3hif s GLU 78 CO -0.16 -0.77 1.51 0.41 0.02 0.00 0.00 175.26 176.28 3hif n GLY 79 N 4.07 -1.05 0.17 -1.39 0.00 -1.26 -5.08 105.19 100.64 3hif n GLY 79 Ca 0.16 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.18 3hif n GLY 79 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hif h GLN 80 N 0.00 0.00 -6.69 1.61 -0.00 -1.91 -3.45 115.11 104.67 3hif h GLN 80 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 58.65 58.17 3hif h GLN 80 Cb 0.27 0.00 0.23 0.00 -0.00 0.00 0.00 27.48 27.98 3hif h GLN 80 CO 0.00 0.48 -0.97 -0.85 -0.00 0.00 0.00 178.83 177.49 3hif n GLU 81 N -3.78 -1.21 -3.34 0.06 0.28 -1.26 -4.94 120.64 106.45 3hif n GLU 81 Ca -0.01 -0.33 -0.00 0.00 -0.16 0.00 0.00 57.16 56.66 3hif n GLU 81 Cb 0.53 -1.73 -0.03 0.00 1.43 0.00 0.00 31.44 31.64 3hif n GLU 81 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 3hif s ARG 82 N -3.47 0.52 -0.58 3.44 6.06 -1.25 -3.09 118.95 120.59 3hif s ARG 82 Ca 0.56 1.04 -0.26 0.00 -2.50 0.00 0.00 55.73 54.57 3hif s ARG 82 Cb -0.14 0.46 -0.08 0.00 0.06 0.00 0.00 34.95 35.24 3hif s ARG 82 CO 0.67 -0.50 2.37 0.45 -2.50 0.00 0.00 175.30 175.79 3hif s SER 83 N 2.80 4.35 0.00 -2.12 0.15 -1.26 -3.00 113.70 114.62 3hif s SER 83 Ca 0.12 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.52 3hif s SER 83 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3hif s SER 83 CO -0.19 -3.10 0.00 0.00 1.20 0.00 0.00 173.24 171.15 3hif n ALA 84 N 16.41 0.00 -0.39 5.45 0.00 -1.26 -5.00 120.51 135.73 3hif n ALA 84 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 3hif n ALA 84 Cb 0.52 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.25 3hif n ALA 84 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3hif n TRP 85 N 0.00 -2.16 -3.80 0.00 8.01 -1.11 -4.52 117.44 113.85 3hif n TRP 85 Ca 0.00 -0.39 -0.22 0.00 -1.31 0.00 0.00 57.50 55.58 3hif n TRP 85 Cb 0.00 -1.57 -0.17 0.00 -2.01 0.00 0.00 31.31 27.55 3hif n TRP 85 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 3hif s VAL 86 N -2.30 0.35 -0.07 -0.99 1.01 -1.26 -3.53 120.40 113.62 3hif s VAL 86 Ca 0.68 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.80 3hif s VAL 86 Cb -0.22 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3hif s VAL 86 CO 0.63 0.25 -0.11 -0.13 0.00 0.00 0.00 175.10 175.74 3hif s ARG 87 N 1.85 1.62 -0.24 2.72 0.52 -1.03 0.51 118.95 124.90 3hif s ARG 87 Ca 0.03 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 3hif s ARG 87 Cb -0.12 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 3hif s ARG 87 CO -0.05 -0.00 2.10 0.00 0.02 0.00 0.00 175.30 177.38 3hif s ALA 88 N 0.75 2.78 0.14 2.13 0.00 -0.48 -1.33 121.76 125.75 3hif s ALA 88 Ca -0.13 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.60 3hif s ALA 88 Cb -0.15 -4.05 0.22 0.00 0.00 0.00 0.00 23.12 19.13 3hif s ALA 88 CO 0.03 -2.73 1.52 -0.22 0.00 0.00 0.00 175.76 174.35 3hif h LYS 89 N 14.41 0.00 -4.41 0.00 3.64 -1.76 6.43 116.57 134.87 3hif h LYS 89 Ca -0.39 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.71 3hif h LYS 89 Cb 1.22 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.80 3hif h LYS 89 CO 0.98 0.66 -0.74 0.95 -2.27 0.00 0.00 179.45 179.03 3hif s THR 90 N -3.24 0.45 -0.16 1.00 -4.23 -1.19 -4.51 115.64 103.75 3hif s THR 90 Ca 0.00 -0.74 -0.38 0.00 -1.18 0.00 0.00 61.69 59.39 3hif s THR 90 Cb 0.11 -0.48 -0.15 0.00 1.34 0.00 0.00 72.50 73.32 3hif s THR 90 CO 0.76 -0.21 1.68 0.00 -0.54 0.00 0.00 174.62 176.31 3hif n ALA 91 N 2.03 -0.13 -2.55 3.99 0.00 -1.26 -4.44 120.51 118.15 3hif n ALA 91 Ca -0.19 0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 3hif n ALA 91 Cb 0.56 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 3hif n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hif s GLU 93 N -3.79 3.97 -0.04 0.00 2.02 -0.56 -1.44 118.70 118.86 3hif s GLU 93 Ca 0.04 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.76 3hif s GLU 93 Cb 0.05 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 31.03 3hif s GLU 93 CO -0.11 0.33 -0.08 0.08 0.02 0.00 0.00 175.26 175.50 3hif s VAL 94 N 0.22 0.77 0.01 2.63 1.01 -0.22 -1.44 120.40 123.40 3hif s VAL 94 Ca 0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3hif s VAL 94 Cb -0.12 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3hif s VAL 94 CO -0.00 0.26 0.29 0.00 0.00 0.00 0.00 175.10 175.64 3hif s ALA 95 N 0.50 3.83 -0.02 5.51 0.00 0.39 -0.33 121.76 131.64 3hif s ALA 95 Ca -0.08 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 3hif s ALA 95 Cb -0.12 -2.10 0.03 0.00 0.00 0.00 0.00 23.12 20.93 3hif s ALA 95 CO 0.01 0.63 0.04 -1.83 0.00 0.00 0.00 175.76 174.61 3hif s GLU 96 N -1.72 -0.02 -0.06 0.00 -1.05 -0.90 0.12 118.70 115.08 3hif s GLU 96 Ca 0.27 0.19 0.01 0.00 -0.15 0.00 0.00 54.97 55.30 3hif s GLU 96 Cb -0.13 -0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.36 3hif s GLU 96 CO 0.16 -0.15 -0.06 -1.50 0.95 0.00 0.00 175.26 174.65 3hif s ILE 97 N 0.99 0.70 -0.35 1.83 2.07 -1.26 -1.92 121.20 123.26 3hif s ILE 97 Ca -0.08 -0.19 -0.32 0.00 -1.41 0.00 0.00 60.65 58.65 3hif s ILE 97 Cb -0.12 -0.71 -0.14 0.00 0.13 0.00 0.00 42.46 41.62 3hif s ILE 97 CO -0.03 0.27 1.27 -1.20 -1.91 0.00 0.00 174.94 173.34 3hif n SER 98 N 4.23 0.73 -3.36 4.50 7.64 -1.26 -2.93 113.62 123.17 3hif n SER 98 Ca -0.21 0.71 -0.30 0.00 1.01 0.00 0.00 58.87 60.08 3hif n SER 98 Cb 0.51 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 3hif n SER 98 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3hif n TYR 99 N 3.73 1.32 0.00 1.43 0.53 -1.26 0.03 117.16 122.94 3hif n TYR 99 Ca 0.28 -1.63 0.00 0.00 -1.02 0.00 0.00 57.90 55.53 3hif n TYR 99 Cb -0.04 -1.50 0.00 0.00 -1.03 0.00 0.00 39.34 36.78 3hif n TYR 99 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 3hif n LYS 100 N 5.73 0.21 -0.06 -0.72 4.81 -1.26 -4.63 118.16 122.24 3hif n LYS 100 Ca 0.42 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.82 3hif n LYS 100 Cb 0.25 -0.53 -0.03 0.00 0.02 0.00 0.00 35.03 34.74 3hif n LYS 100 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3hif h LYS 101 N 0.00 0.00 -3.32 1.64 1.57 -0.71 -3.35 116.57 112.40 3hif h LYS 101 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 3hif h LYS 101 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.39 3hif h LYS 101 CO 0.00 0.22 2.65 0.34 -0.57 0.00 0.00 179.45 182.09 3hif n PHE 102 N -4.70 1.44 -0.66 -1.35 7.35 -1.00 0.54 117.46 119.08 3hif n PHE 102 Ca -0.05 -2.07 0.00 0.00 -0.76 0.00 0.00 57.45 54.57 3hif n PHE 102 Cb 0.17 -1.76 0.00 0.00 0.35 0.00 0.00 39.48 38.24 3hif n PHE 102 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3hif n ARG 103 N 4.04 0.00 -0.03 -4.13 5.12 -1.25 -4.79 116.66 115.62 3hif n ARG 103 Ca 0.48 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.36 3hif n ARG 103 Cb 0.17 -0.02 -0.01 0.00 -1.16 0.00 0.00 32.46 31.44 3hif n ARG 103 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3hif n GLN 104 N 0.00 0.24 -0.15 5.56 6.02 2.12 -4.47 117.38 126.70 3hif n GLN 104 Ca 0.00 0.09 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 3hif n GLN 104 Cb 0.02 -0.87 0.06 0.00 1.02 0.00 0.00 30.24 30.47 3hif n GLN 104 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hif n LEU 105 N -3.63 -0.15 -0.30 1.08 4.77 -0.41 0.46 117.00 118.83 3hif n LEU 105 Ca -0.06 0.70 0.18 0.00 -0.03 0.00 0.00 56.01 56.80 3hif n LEU 105 Cb 0.23 -0.21 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 3hif n LEU 105 CO 0.09 -0.67 1.21 0.40 -1.33 0.00 0.00 177.39 177.10 3hif h ILE 106 N 0.00 0.65 0.00 -0.08 2.04 -1.81 1.49 117.51 119.79 3hif h ILE 106 Ca 0.19 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hif h ILE 106 Cb 0.30 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3hif h ILE 106 CO -0.42 0.09 -0.09 1.56 0.00 0.00 0.00 178.15 179.29 3hif h GLN 107 N 0.52 0.00 0.00 2.37 1.08 0.97 -3.09 115.11 116.96 3hif h GLN 107 Ca 0.54 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.58 3hif h GLN 107 Cb 1.18 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.58 3hif h GLN 107 CO -0.27 0.09 -0.96 0.28 -0.95 0.00 0.00 178.83 177.02 3hif h VAL 108 N 0.00 0.87 -1.81 -0.54 2.07 0.23 -3.46 116.25 113.61 3hif h VAL 108 Ca -0.00 -2.00 -0.33 0.00 0.82 0.00 0.00 66.70 65.19 3hif h VAL 108 Cb 0.40 1.99 -0.29 0.00 -1.52 0.00 0.00 31.29 31.87 3hif h VAL 108 CO 0.01 0.30 -0.66 0.21 0.02 0.00 0.00 177.57 177.45 3hif s ASN 109 N -6.58 0.77 0.00 0.57 3.84 0.18 -5.02 114.94 108.70 3hif s ASN 109 Ca -0.25 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.32 3hif s ASN 109 Cb 0.04 0.76 0.00 0.00 -0.55 0.00 0.00 41.25 41.50 3hif s ASN 109 CO 0.53 -0.24 0.00 -2.65 -2.79 0.00 0.00 177.10 171.95 3hif n PRO 110 N 4.23 0.00 -0.03 0.43 -0.02 -1.17 -3.51 135.00 134.92 3hif n PRO 110 Ca 0.12 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.46 3hif n PRO 110 Cb 0.47 -0.96 -0.09 0.00 -0.02 0.00 0.00 33.50 32.89 3hif n PRO 110 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3hif h ASP 111 N 0.46 0.12 -0.79 2.55 -0.00 -1.94 -3.03 116.42 113.80 3hif h ASP 111 Ca 0.00 -0.54 0.08 0.00 -0.00 0.00 0.00 57.03 56.57 3hif h ASP 111 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 39.33 39.23 3hif h ASP 111 CO 0.00 0.64 0.44 0.40 -0.00 0.00 0.00 179.24 180.72 3hif h ILE 112 N -0.39 0.92 -0.77 2.25 5.03 -1.97 -0.19 117.51 122.39 3hif h ILE 112 Ca 0.00 -0.26 0.07 0.00 -0.12 0.00 0.00 64.86 64.55 3hif h ILE 112 Cb 0.61 0.09 -0.05 0.00 -3.03 0.00 0.00 36.82 34.44 3hif h ILE 112 CO 0.01 0.14 0.50 0.25 -0.68 0.00 0.00 178.15 178.38 3hif h LEU 113 N 0.77 0.70 0.29 1.44 5.85 -1.82 -1.98 115.31 120.55 3hif h LEU 113 Ca 0.37 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 3hif h LEU 113 Cb 0.31 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hif h LEU 113 CO -0.23 0.45 -0.19 0.24 -0.34 0.00 0.00 178.44 178.37 3hif h MET 114 N 0.80 -0.45 -0.79 1.25 2.86 -0.91 -2.29 114.93 115.39 3hif h MET 114 Ca 0.33 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 58.12 3hif h MET 114 Cb 0.28 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.96 3hif h MET 114 CO -0.12 -0.30 0.41 0.00 1.06 0.00 0.00 176.91 177.96 3hif h ARG 115 N -0.47 0.63 -0.32 1.72 3.08 -1.05 0.18 114.38 118.15 3hif h ARG 115 Ca -0.03 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3hif h ARG 115 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3hif h ARG 115 CO 0.02 0.42 -0.17 1.25 -1.07 0.00 0.00 179.97 180.42 3hif h LEU 116 N 0.65 0.57 -0.51 3.04 6.46 -1.36 -2.40 115.31 121.76 3hif h LEU 116 Ca 0.41 -0.17 -0.16 0.00 -0.12 0.00 0.00 57.88 57.83 3hif h LEU 116 Cb 0.48 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3hif h LEU 116 CO -0.30 0.76 -0.72 0.28 -0.62 0.00 0.00 178.44 177.84 3hif h SER 117 N 0.52 0.22 0.20 1.25 0.02 -0.45 -3.22 113.55 112.09 3hif h SER 117 Ca 0.09 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3hif h SER 117 Cb 0.59 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 3hif h SER 117 CO 0.04 0.86 -0.12 0.00 -1.14 0.00 0.00 176.83 176.47 3hif h ALA 118 N 1.13 -0.30 -0.40 3.77 0.00 -0.24 -2.67 119.26 120.57 3hif h ALA 118 Ca -0.02 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hif h ALA 118 Cb 1.27 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.12 3hif h ALA 118 CO 0.11 -0.67 -0.18 1.96 0.00 0.00 0.00 179.25 180.46 3hif h GLN 119 N -0.31 -0.10 -0.56 0.00 4.20 -1.52 -1.43 115.11 115.39 3hif h GLN 119 Ca -0.02 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.78 3hif h GLN 119 Cb 0.25 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3hif h GLN 119 CO 0.02 -0.07 0.37 0.52 -0.67 0.00 0.00 178.83 179.01 3hif h MET 120 N -0.11 0.42 0.19 1.46 2.86 -1.56 0.18 114.93 118.37 3hif h MET 120 Ca 0.19 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3hif h MET 120 Cb 0.41 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3hif h MET 120 CO -0.47 0.28 -0.09 0.00 1.06 0.00 0.00 176.91 177.69 3hif h ALA 121 N 1.71 -0.25 -0.69 6.32 0.00 -0.92 0.21 119.26 125.63 3hif h ALA 121 Ca 0.25 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hif h ALA 121 Cb 0.42 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3hif h ALA 121 CO -0.07 -0.54 0.45 0.00 0.00 0.00 0.00 179.25 179.09 3hif h ARG 122 N -0.46 0.87 -0.37 0.00 3.08 -0.80 -1.81 114.38 114.90 3hif h ARG 122 Ca -0.03 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hif h ARG 122 Cb 0.35 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hif h ARG 122 CO 0.04 0.58 0.24 -0.09 -1.07 0.00 0.00 179.97 179.67 3hif h ARG 123 N 0.90 0.41 0.00 0.04 2.43 -0.37 0.10 114.38 117.89 3hif h ARG 123 Ca 0.26 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3hif h ARG 123 Cb -0.05 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3hif h ARG 123 CO -0.08 0.27 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.23 3hif h LEU 124 N 0.43 0.00 -1.01 3.80 3.38 0.20 -3.30 115.31 118.80 3hif h LEU 124 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hif h LEU 124 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3hif h LEU 124 CO -0.03 0.36 0.33 -0.61 0.09 0.00 0.00 178.44 178.58 3hif h GLN 125 N 0.00 1.03 -0.07 1.13 5.75 -0.04 -1.68 115.11 121.24 3hif h GLN 125 Ca -0.00 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 3hif h GLN 125 Cb 1.03 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 3hif h GLN 125 CO 0.05 0.81 -0.41 0.28 -2.65 0.00 0.00 178.83 176.91 3hif h VAL 126 N 1.02 1.31 0.67 2.39 2.07 -1.63 -3.30 116.25 118.78 3hif h VAL 126 Ca 0.25 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 3hif h VAL 126 Cb 0.13 1.72 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3hif h VAL 126 CO -0.03 0.44 -0.32 0.74 0.02 0.00 0.00 177.57 178.42 3hif h THR 127 N 0.12 0.28 0.00 2.57 2.02 -1.43 -3.20 112.91 113.28 3hif h THR 127 Ca 0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 3hif h THR 127 Cb 0.79 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3hif h THR 127 CO 0.06 0.02 -0.07 0.28 0.37 0.00 0.00 175.52 176.18 3hif h SER 128 N -1.02 0.00 0.00 4.18 0.02 -1.64 -2.33 113.55 112.77 3hif h SER 128 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3hif h SER 128 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 3hif h SER 128 CO 0.15 0.07 0.00 -0.62 -1.14 0.00 0.00 176.83 175.29 3hif n GLU 129 N -4.39 0.28 -4.20 3.45 1.02 -1.21 -5.17 120.64 110.42 3hif n GLU 129 Ca -0.03 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 3hif n GLU 129 Cb 0.15 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.00 2.30 0.55 3.49 1.02 -0.88 -5.12 119.74 119.10 3hif s LYS 130 Ca 0.02 -1.54 0.07 0.00 0.02 0.00 0.00 55.97 54.55 3hif s LYS 130 Cb 0.01 -2.13 0.05 0.00 -0.52 0.00 0.00 37.83 35.24 3hif s LYS 130 CO 0.02 0.20 0.56 0.54 -0.92 0.00 0.00 175.35 175.74 3hif s ASN 133 N -3.77 4.86 0.12 2.83 4.22 -1.26 -5.19 114.94 116.74 3hif s ASN 133 Ca 0.35 -1.05 -0.21 0.00 -2.14 0.00 0.00 52.86 49.82 3hif s ASN 133 Cb -0.03 0.29 -0.06 0.00 1.28 0.00 0.00 41.25 42.73 3hif s ASN 133 CO 0.21 -1.16 1.72 -0.07 -2.04 0.00 0.00 177.10 175.76 3hif h LEU 134 N 0.54 -0.10 -1.05 3.54 3.38 -2.05 -1.72 115.31 117.85 3hif h LEU 134 Ca -0.34 0.04 0.17 0.00 0.09 0.00 0.00 57.88 57.83 3hif h LEU 134 Cb 1.29 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 42.02 3hif h LEU 134 CO 0.51 -0.03 0.62 0.00 0.09 0.00 0.00 178.44 179.62 3hif h ALA 135 N 1.13 1.67 -0.30 1.53 0.00 -2.06 0.14 119.26 121.37 3hif h ALA 135 Ca 0.07 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3hif h ALA 135 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hif h ALA 135 CO -0.13 0.01 -0.18 0.35 0.00 0.00 0.00 179.25 179.29 3hif h PHE 136 N 0.81 0.77 -0.05 0.00 3.57 -1.87 -2.85 116.94 117.32 3hif h PHE 136 Ca 0.55 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 3hif h PHE 136 Cb 0.79 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3hif h PHE 136 CO -0.00 0.90 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.69 3hif h LEU 137 N 0.41 0.08 -0.03 0.59 3.38 -0.27 -0.72 115.31 118.75 3hif h LEU 137 Ca 0.06 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hif h LEU 137 Cb 0.72 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hif h LEU 137 CO 0.05 0.31 0.01 -0.78 0.09 0.00 0.00 178.44 178.12 3hif h ASP 138 N 0.08 0.04 -0.38 -0.43 -0.00 -0.67 -1.86 116.42 113.20 3hif h ASP 138 Ca 0.01 -0.23 -0.09 0.00 -0.00 0.00 0.00 57.03 56.72 3hif h ASP 138 Cb 0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.74 3hif h ASP 138 CO 0.03 0.26 -0.07 0.58 -0.00 0.00 0.00 179.24 180.05 3hif h VAL 139 N -0.18 1.25 -0.76 2.25 2.07 -1.27 -2.33 116.25 117.28 3hif h VAL 139 Ca 0.01 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.47 3hif h VAL 139 Cb 0.24 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3hif h VAL 139 CO 0.00 0.39 0.45 0.74 0.02 0.00 0.00 177.57 179.17 3hif h THR 140 N 0.74 1.01 -0.42 2.57 2.02 -0.95 -0.85 112.91 117.02 3hif h THR 140 Ca 0.13 -0.28 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3hif h THR 140 Cb 0.54 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hif h THR 140 CO 0.03 0.15 -0.23 1.23 0.37 0.00 0.00 175.52 177.08 3hif h GLY 141 N 0.83 0.98 0.99 2.16 0.00 -1.08 -1.78 103.07 105.16 3hif h GLY 141 Ca 0.33 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 3hif h GLY 141 CO -0.17 0.81 0.31 3.21 0.00 0.00 0.00 176.54 180.69 3hif h ARG 142 N 0.72 0.84 -0.47 4.80 3.08 -0.98 -0.15 114.38 122.22 3hif h ARG 142 Ca 0.09 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 3hif h ARG 142 Cb 0.80 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hif h ARG 142 CO 0.07 0.66 -0.05 0.82 -1.07 0.00 0.00 179.97 180.39 3hif h ILE 143 N 0.81 1.27 -0.95 2.04 2.04 -1.11 -1.42 117.51 120.18 3hif h ILE 143 Ca 0.21 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3hif h ILE 143 Cb 0.08 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3hif h ILE 143 CO -0.03 0.40 0.63 0.00 0.00 0.00 0.00 178.15 179.15 3hif h ALA 144 N 0.90 1.33 -0.27 1.87 0.00 -1.10 -1.97 119.26 120.02 3hif h ALA 144 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hif h ALA 144 Cb 0.58 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hif h ALA 144 CO 0.04 0.62 0.08 0.37 0.00 0.00 0.00 179.25 180.36 3hif h GLN 145 N 1.28 0.42 -0.65 0.00 4.15 -0.61 0.17 115.11 119.88 3hif h GLN 145 Ca 0.35 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.69 3hif h GLN 145 Cb -0.13 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.46 3hif h GLN 145 CO -0.08 0.49 0.43 1.15 -1.93 0.00 0.00 178.83 178.89 3hif h THR 146 N 0.27 1.17 -0.57 2.39 2.02 -1.00 0.18 112.91 117.37 3hif h THR 146 Ca 0.09 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3hif h THR 146 Cb 0.25 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3hif h THR 146 CO -0.00 0.16 -0.03 -0.07 0.37 0.00 0.00 175.52 175.95 3hif h LEU 147 N 0.88 1.00 -0.23 2.58 3.38 -1.21 -2.10 115.31 119.60 3hif h LEU 147 Ca 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3hif h LEU 147 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3hif h LEU 147 CO -0.05 1.06 0.09 0.25 0.09 0.00 0.00 178.44 179.88 3hif h LEU 148 N 0.92 0.32 -0.54 1.67 6.46 0.05 -2.29 115.31 121.90 3hif h LEU 148 Ca 0.16 -0.16 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 3hif h LEU 148 Cb 0.57 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 3hif h LEU 148 CO 0.03 0.39 -0.25 0.78 -0.62 0.00 0.00 178.44 178.78 3hif h ASN 149 N 0.22 0.95 -0.04 1.25 -0.26 -0.62 -2.76 115.58 114.32 3hif h ASN 149 Ca 0.08 -0.37 -0.10 0.00 -0.56 0.00 0.00 56.30 55.35 3hif h ASN 149 Cb 0.17 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 3hif h ASN 149 CO -0.01 1.14 -0.28 -0.07 -1.06 0.00 0.00 177.43 177.16 3hif h LEU 150 N 0.79 0.49 -1.92 1.61 3.38 -1.37 -0.93 115.31 117.35 3hif h LEU 150 Ca 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hif h LEU 150 Cb 0.81 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3hif h LEU 150 CO 0.07 0.75 -0.06 0.00 0.09 0.00 0.00 178.44 179.29 3hif h ALA 151 N 1.28 1.10 -0.02 1.53 0.00 -1.27 -1.16 119.26 120.73 3hif h ALA 151 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hif h ALA 151 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hif h ALA 151 CO 0.05 0.08 -0.07 1.63 0.00 0.00 0.00 179.25 180.94 3hif n LYS 152 N -3.31 1.94 -2.60 0.00 5.02 -0.53 -4.89 118.16 113.79 3hif n LYS 152 Ca -0.01 -1.49 -0.33 0.00 -2.02 0.00 0.00 58.31 54.47 3hif n LYS 152 Cb 0.24 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.08 4.08 0.52 1.97 -1.52 -0.44 -4.96 119.66 117.23 3hif s GLN 153 Ca 0.29 1.04 0.19 0.00 -1.95 0.00 0.00 55.36 54.93 3hif s GLN 153 Cb 0.20 -2.16 1.33 0.00 -0.22 0.00 0.00 33.01 32.16 3hif s GLN 153 CO 0.35 -0.16 2.13 -1.35 -0.25 0.00 0.00 175.29 176.02 3hif h PRO 154 N 1.40 0.00 -0.27 2.91 0.11 -1.92 -2.53 132.00 131.70 3hif h PRO 154 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hif h PRO 154 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hif h PRO 154 CO 0.61 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3hif n ASP 155 N -4.30 1.47 -4.82 -2.05 5.68 -1.26 -4.90 116.55 106.36 3hif n ASP 155 Ca -0.03 -2.00 -0.34 0.00 -0.50 0.00 0.00 54.79 51.93 3hif n ASP 155 Cb 0.13 -0.18 -0.07 0.00 -1.14 0.00 0.00 41.12 39.86 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 -1.63 3.13 0.42 2.12 0.00 -0.95 -4.88 121.76 119.96 3hif s ALA 156 Ca 0.18 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 3hif s ALA 156 Cb 0.10 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3hif s ALA 156 CO 0.13 0.18 0.70 -1.64 0.00 0.00 0.00 175.76 175.12 3hif s MET 157 N -2.92 3.55 -0.30 0.00 -1.94 0.15 -4.94 119.30 112.89 3hif s MET 157 Ca 0.58 0.04 -0.17 0.00 -1.71 0.00 0.00 55.69 54.44 3hif s MET 157 Cb -0.11 -2.48 -0.02 0.00 2.01 0.00 0.00 34.83 34.23 3hif s MET 157 CO 0.16 -0.06 0.44 0.99 -0.01 0.00 0.00 175.02 176.54 3hif s THR 158 N -2.54 5.10 -0.01 2.05 2.01 -1.26 -2.00 115.64 118.99 3hif s THR 158 Ca 0.45 0.50 0.07 0.00 0.31 0.00 0.00 61.69 63.02 3hif s THR 158 Cb -0.10 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3hif s THR 158 CO 0.40 -0.01 -0.24 -2.28 -0.69 0.00 0.00 174.62 171.81 3hif s HIS 159 N 2.21 2.41 0.48 4.92 5.04 -0.06 -4.88 115.29 125.41 3hif s HIS 159 Ca 0.17 -0.38 0.30 0.00 -1.54 0.00 0.00 55.06 53.62 3hif s HIS 159 Cb -0.16 -1.50 1.39 0.00 0.04 0.00 0.00 32.58 32.35 3hif s HIS 159 CO 0.11 0.04 1.76 -1.35 -2.34 0.00 0.00 174.74 172.96 3hif h PRO 160 N 5.30 0.14 0.00 2.88 0.11 -2.01 0.23 132.00 138.66 3hif h PRO 160 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hif h PRO 160 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hif h PRO 160 CO 0.47 0.10 -0.84 -0.25 -0.21 0.00 0.00 178.00 177.27 3hif n ASP 161 N -4.39 0.71 0.00 -2.05 10.43 -1.26 -5.05 116.55 114.94 3hif n ASP 161 Ca 0.28 -0.52 0.00 0.00 2.57 0.00 0.00 54.79 57.12 3hif n ASP 161 Cb 1.19 0.69 0.00 0.00 1.84 0.00 0.00 41.12 44.84 3hif n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hif n GLY 162 N 1.47 -0.52 3.29 0.44 0.00 0.82 -3.42 105.19 107.27 3hif n GLY 162 Ca 0.04 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 3.25 -0.13 1.61 -1.94 0.23 -0.88 119.30 121.44 3hif s MET 163 Ca 0.00 -0.74 -0.05 0.00 -1.71 0.00 0.00 55.69 53.19 3hif s MET 163 Cb 0.00 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.21 3hif s MET 163 CO 0.00 0.10 0.05 -1.14 -0.01 0.00 0.00 175.02 174.02 3hif s GLN 164 N 0.62 3.44 0.25 2.03 0.74 -0.84 0.13 119.66 126.04 3hif s GLN 164 Ca -0.09 -0.33 0.06 0.00 0.05 0.00 0.00 55.36 55.05 3hif s GLN 164 Cb -0.16 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 3hif s GLN 164 CO 0.03 0.56 -0.06 0.96 -0.55 0.00 0.00 175.29 176.23 3hif s ILE 165 N -0.45 1.48 -0.24 -2.34 -4.36 0.12 0.29 121.20 115.70 3hif s ILE 165 Ca 0.09 -2.11 -0.01 0.00 -0.26 0.00 0.00 60.65 58.36 3hif s ILE 165 Cb -0.12 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.27 3hif s ILE 165 CO 0.02 -0.36 -0.07 -0.75 0.24 0.00 0.00 174.94 174.02 3hif s LYS 166 N -3.75 2.84 -0.20 0.37 2.47 -1.26 -2.06 119.74 118.14 3hif s LYS 166 Ca 0.28 -0.97 -0.28 0.00 -1.56 0.00 0.00 55.97 53.43 3hif s LYS 166 Cb 0.04 -2.96 0.12 0.00 -1.46 0.00 0.00 37.83 33.57 3hif s LYS 166 CO 0.10 -0.39 1.00 -1.50 0.16 0.00 0.00 175.35 174.72 3hif s ILE 167 N 1.32 0.00 0.35 5.43 2.07 -0.76 -5.05 121.20 124.57 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 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 3hif s ILE 167 CO -0.05 0.00 0.59 0.42 -1.91 0.00 0.00 174.94 173.99 3hif s THR 168 N -0.66 5.05 0.31 4.00 -4.23 -1.26 -4.53 115.64 114.32 3hif s THR 168 Ca -0.00 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3hif s THR 168 Cb -0.02 -3.83 0.25 0.00 1.34 0.00 0.00 72.50 70.24 3hif s THR 168 CO -0.01 -0.55 1.96 0.03 -0.54 0.00 0.00 174.62 175.51 3hif h ARG 169 N 0.91 1.01 0.00 3.99 3.08 -1.96 -2.33 114.38 119.08 3hif h ARG 169 Ca -0.49 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.37 3hif h ARG 169 Cb 1.21 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 3hif h ARG 169 CO 0.63 0.69 -0.53 -0.56 -1.07 0.00 0.00 179.97 179.13 3hif h GLN 170 N 1.03 0.00 -0.60 0.04 -0.00 -1.94 -2.99 115.11 110.64 3hif h GLN 170 Ca 0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.82 3hif h GLN 170 Cb -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.39 3hif h GLN 170 CO -0.05 0.53 -0.01 0.93 -0.00 0.00 0.00 178.83 180.23 3hif h GLU 171 N 0.00 1.07 -0.49 0.06 5.08 -1.82 -2.14 114.58 116.34 3hif h GLU 171 Ca -0.01 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hif h GLU 171 Cb 1.19 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3hif h GLU 171 CO 0.07 1.05 0.30 0.82 -1.00 0.00 0.00 179.01 180.24 3hif h ILE 172 N 0.97 1.15 -0.64 3.13 1.08 -1.36 -2.04 117.51 119.80 3hif h ILE 172 Ca 0.17 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.25 3hif h ILE 172 Cb 0.57 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 3hif h ILE 172 CO 0.03 0.15 0.17 1.23 -0.69 0.00 0.00 178.15 179.05 3hif h GLY 173 N 0.66 1.07 0.80 5.37 0.00 -1.40 -1.06 103.07 108.52 3hif h GLY 173 Ca 0.18 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hif h GLY 173 CO -0.03 0.60 0.01 -1.61 0.00 0.00 0.00 176.54 175.50 3hif h GLN 174 N 0.96 0.04 -0.29 4.80 4.15 -1.17 0.69 115.11 124.29 3hif h GLN 174 Ca 0.21 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hif h GLN 174 Cb 0.32 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3hif h GLN 174 CO -0.00 0.23 0.17 0.82 -1.93 0.00 0.00 178.83 178.12 3hif h ILE 175 N -0.16 1.04 0.04 2.39 2.04 -1.22 -3.05 117.51 118.59 3hif h ILE 175 Ca 0.01 -0.12 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 3hif h ILE 175 Cb 0.21 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3hif h ILE 175 CO -0.00 0.06 -1.02 0.58 0.00 0.00 0.00 178.15 177.78 3hif h VAL 176 N 0.35 1.54 0.00 1.67 2.07 -1.18 -3.48 116.25 117.22 3hif h VAL 176 Ca 0.11 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3hif h VAL 176 Cb -0.01 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3hif h VAL 176 CO -0.04 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.00 3hif n GLY 177 N 1.17 1.63 3.59 2.17 0.00 0.22 -5.07 105.19 108.90 3hif n GLY 177 Ca -0.05 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.67 4.43 0.40 0.00 1.04 -1.26 -4.41 113.70 110.23 3hif s SER 179 Ca 0.34 1.91 0.10 0.00 0.48 0.00 0.00 55.95 58.79 3hif s SER 179 Cb 0.06 -2.53 0.85 0.00 0.10 0.00 0.00 66.02 64.50 3hif s SER 179 CO 0.17 -2.09 1.95 -0.09 0.98 0.00 0.00 173.24 174.16 3hif h ARG 180 N -0.97 0.20 -0.19 4.02 2.43 -1.94 -2.41 114.38 115.52 3hif h ARG 180 Ca -0.44 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.54 3hif h ARG 180 Cb 1.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 3hif h ARG 180 CO 0.51 0.33 -0.51 0.93 -1.51 0.00 0.00 179.97 179.71 3hif h GLU 181 N 0.20 0.53 -0.70 0.20 3.07 -1.97 -2.39 114.58 113.52 3hif h GLU 181 Ca 0.04 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 3hif h GLU 181 Cb 0.32 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 3hif h GLU 181 CO 0.02 0.92 0.25 1.15 -1.40 0.00 0.00 179.01 179.94 3hif h THR 182 N 0.41 1.25 -0.22 1.13 2.02 -1.81 -1.86 112.91 113.83 3hif h THR 182 Ca 0.02 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 3hif h THR 182 Cb 1.04 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3hif h THR 182 CO 0.10 0.32 0.08 0.58 0.37 0.00 0.00 175.52 176.97 3hif h VAL 183 N 1.03 1.17 -0.63 3.16 2.07 -1.31 -1.96 116.25 119.78 3hif h VAL 183 Ca 0.23 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3hif h VAL 183 Cb 0.25 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3hif h VAL 183 CO -0.01 0.17 0.38 1.23 0.02 0.00 0.00 177.57 179.36 3hif h GLY 184 N 0.20 0.90 1.36 2.17 0.00 -1.15 0.28 103.07 106.83 3hif h GLY 184 Ca 0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 3hif h GLY 184 CO -0.01 0.22 -0.14 -0.09 0.00 0.00 0.00 176.54 176.53 3hif h ARG 185 N 0.73 0.76 -0.01 4.80 2.43 -1.27 -1.50 114.38 120.31 3hif h ARG 185 Ca 0.26 -0.26 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 3hif h ARG 185 Cb 0.05 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hif h ARG 185 CO -0.12 0.86 -0.98 0.82 -1.51 0.00 0.00 179.97 179.05 3hif h ILE 186 N 0.68 1.30 -0.98 1.20 2.04 -0.80 -1.46 117.51 119.49 3hif h ILE 186 Ca 0.11 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3hif h ILE 186 Cb 0.63 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 3hif h ILE 186 CO 0.04 0.68 0.62 -0.07 0.00 0.00 0.00 178.15 179.42 3hif h LEU 187 N 0.34 1.15 0.07 1.44 4.07 -0.43 0.24 115.31 122.19 3hif h LEU 187 Ca -0.12 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.80 3hif h LEU 187 Cb 1.63 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 3hif h LEU 187 CO 0.19 0.86 -0.11 0.50 -1.08 0.00 0.00 178.44 178.80 3hif h LYS 188 N 1.34 -0.22 -0.28 1.13 3.64 -1.22 -1.29 116.57 119.67 3hif h LYS 188 Ca 0.35 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 3hif h LYS 188 Cb -0.10 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3hif h LYS 188 CO -0.07 -0.15 0.12 1.98 -2.27 0.00 0.00 179.45 179.06 3hif h MET 189 N -0.23 0.25 -0.34 1.90 4.05 -0.54 -1.21 114.93 118.81 3hif h MET 189 Ca 0.02 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 3hif h MET 189 Cb 0.24 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3hif h MET 189 CO -0.06 0.17 0.01 -0.07 0.23 0.00 0.00 176.91 177.19 3hif h LEU 190 N 0.26 0.48 -0.66 3.39 3.38 -0.48 -2.09 115.31 119.59 3hif h LEU 190 Ca 0.12 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hif h LEU 190 Cb 0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3hif h LEU 190 CO -0.10 0.54 -0.62 -0.08 0.09 0.00 0.00 178.44 178.27 3hif h GLU 191 N 0.50 0.20 -0.03 1.13 4.81 -0.76 -2.67 114.58 117.76 3hif h GLU 191 Ca 0.11 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3hif h GLU 191 Cb 0.30 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3hif h GLU 191 CO 0.01 0.75 -0.40 -0.44 -0.73 0.00 0.00 179.01 178.20 3hif h ASP 192 N 0.14 0.06 0.06 1.04 3.32 -0.62 -2.55 116.42 117.89 3hif h ASP 192 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hif h ASP 192 Cb 1.12 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3hif h ASP 192 CO 0.09 0.46 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3hif n GLN 193 N -4.05 0.85 -3.40 3.56 1.13 -0.85 -4.88 117.38 109.74 3hif n GLN 193 Ca -0.02 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.83 3hif n GLN 193 Cb 0.44 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.36 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 -1.04 -5.96 -0.07 1.08 3.02 -0.96 -4.91 115.26 106.42 3hif n ASN 194 Ca 0.21 -0.45 -0.08 0.00 -0.03 0.00 0.00 54.58 54.23 3hif n ASN 194 Cb 0.11 -4.61 -0.10 0.00 -0.61 0.00 0.00 39.78 34.57 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 -4.44 0.92 -4.19 3.41 4.77 -1.07 -4.91 117.00 111.50 3hif n LEU 195 Ca -0.01 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 3hif n LEU 195 Cb 0.56 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 3hif n LEU 195 CO 0.56 0.48 -0.23 0.27 -1.33 0.00 0.00 177.39 177.14 3hif s ILE 196 N -2.33 0.00 -0.11 -0.08 -4.36 -1.23 -2.22 121.20 110.87 3hif s ILE 196 Ca -0.12 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.26 3hif s ILE 196 Cb 0.05 -2.47 0.05 0.00 1.25 0.00 0.00 42.46 41.33 3hif s ILE 196 CO 0.51 -0.02 0.06 -0.94 0.24 0.00 0.00 174.94 174.79 3hif s SER 197 N -3.15 1.88 -0.20 4.36 1.04 -0.95 -4.27 113.70 112.41 3hif s SER 197 Ca 0.38 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 3hif s SER 197 Cb 0.07 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 3hif s SER 197 CO 0.11 -0.29 0.11 0.00 0.98 0.00 0.00 173.24 174.15 3hif s ALA 198 N 2.10 3.60 -0.38 5.32 0.00 -1.26 -2.55 121.76 128.59 3hif s ALA 198 Ca 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3hif s ALA 198 Cb -0.14 -2.10 0.16 0.00 0.00 0.00 0.00 23.12 21.04 3hif s ALA 198 CO -0.06 0.15 0.41 -1.58 0.00 0.00 0.00 175.76 174.68 3hif s HIS 199 N 0.40 -0.45 0.00 0.00 2.46 -0.81 -5.06 115.29 111.83 3hif s HIS 199 Ca 0.06 -0.74 0.00 0.00 0.47 0.00 0.00 55.06 54.86 3hif s HIS 199 Cb -0.12 -0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.01 3hif s HIS 199 CO -0.01 -1.00 0.00 0.41 -2.47 0.00 0.00 174.74 171.67 3hif n GLY 200 N 4.20 1.95 0.18 1.59 0.00 -1.26 -2.78 105.19 109.07 3hif n GLY 200 Ca 0.12 -0.44 0.13 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 12.46 0.59 -3.37 1.61 4.01 -1.26 -4.77 118.16 127.42 3hif n LYS 201 Ca 0.00 -0.36 -0.39 0.00 -0.51 0.00 0.00 58.31 57.06 3hif n LYS 201 Cb 0.00 -1.49 -0.08 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 -2.66 5.17 -0.08 -0.18 2.01 -1.12 -1.82 115.64 116.97 3hif s THR 202 Ca 0.20 0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.91 3hif s THR 202 Cb 0.19 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.97 3hif s THR 202 CO 0.58 0.20 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.92 3hif s ILE 203 N 1.67 1.44 -0.17 1.82 -1.09 -0.88 -1.92 121.20 122.08 3hif s ILE 203 Ca 0.18 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3hif s ILE 203 Cb -0.15 -1.28 -0.01 0.00 -1.58 0.00 0.00 42.46 39.43 3hif s ILE 203 CO 0.09 0.42 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.44 3hif s VAL 204 N 0.58 3.18 -0.29 2.92 1.01 -1.06 0.13 120.40 126.86 3hif s VAL 204 Ca -0.16 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 3hif s VAL 204 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3hif s VAL 204 CO 0.05 0.48 0.27 -0.69 0.00 0.00 0.00 175.10 175.21 3hif s VAL 205 N 0.86 5.25 0.52 2.92 1.01 0.36 -2.24 120.40 129.08 3hif s VAL 205 Ca -0.03 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 3hif s VAL 205 Cb -0.15 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3hif s VAL 205 CO 0.01 0.14 1.12 -0.31 0.00 0.00 0.00 175.10 176.06 3hif s TYR 206 N 1.87 2.76 0.00 5.22 4.12 -0.94 -0.60 117.35 129.77 3hif s TYR 206 Ca 0.09 1.55 0.00 0.00 0.02 0.00 0.00 57.07 58.73 3hif s TYR 206 Cb -0.16 -3.27 0.00 0.00 -1.52 0.00 0.00 41.96 37.01 3hif s TYR 206 CO 0.11 -1.44 0.00 0.41 0.02 0.00 0.00 175.55 174.65