#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n PHE 2 N 0.00 0.00 -1.42 2.03 7.35 -1.26 -4.69 117.46 119.47 3hux n PHE 2 Ca 0.00 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.87 3hux n PHE 2 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 3hux n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hux n ALA 3 N -2.21 -3.72 -3.15 3.13 0.00 -1.26 -3.77 120.51 109.54 3hux n ALA 3 Ca 0.00 0.84 0.02 0.00 0.00 0.00 0.00 53.44 54.31 3hux n ALA 3 Cb 0.00 -1.51 -0.00 0.00 0.00 0.00 0.00 19.45 17.94 3hux n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hux s ILE 4 N -3.91 -0.89 0.76 0.00 1.01 -0.95 -3.76 121.20 113.46 3hux s ILE 4 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 3hux s ILE 4 Cb 0.00 -0.36 0.05 0.00 0.01 0.00 0.00 42.46 42.16 3hux s ILE 4 CO 0.00 0.00 1.11 0.54 0.00 0.00 0.00 174.94 176.59 3hux s VAL 5 N 2.27 3.06 -0.31 2.92 0.11 -0.47 0.55 120.40 128.52 3hux s VAL 5 Ca 0.15 0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.52 3hux s VAL 5 Cb -0.05 -3.26 0.10 0.00 -1.53 0.00 0.00 36.38 31.64 3hux s VAL 5 CO -0.15 -0.45 0.12 -0.75 -3.33 0.00 0.00 175.10 170.54 3hux s LYS 6 N -5.34 0.57 0.09 1.54 2.20 -1.25 -2.82 119.74 114.73 3hux s LYS 6 Ca 0.60 -0.97 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 3hux s LYS 6 Cb -0.12 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.46 3hux s LYS 6 CO 0.52 -1.02 -0.21 -0.08 -0.36 0.00 0.00 175.35 174.20 3hux s THR 7 N 1.66 1.69 0.00 3.43 -1.32 -1.09 -4.77 115.64 115.24 3hux s THR 7 Ca 0.11 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 3hux s THR 7 Cb -0.18 -1.52 0.00 0.00 -1.51 0.00 0.00 72.50 69.29 3hux s THR 7 CO -0.26 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 3hux n GLY 8 N 1.23 0.00 0.57 6.08 0.00 -1.26 -2.05 105.19 109.75 3hux n GLY 8 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hux n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 9 N -0.58 0.74 3.70 -0.02 0.00 -1.26 -4.93 105.19 102.84 3hux n GLY 9 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 3hux n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 10 N -1.78 1.45 -0.22 1.61 1.02 -0.87 -5.15 119.74 115.79 3hux s LYS 10 Ca 0.00 -0.73 -0.00 0.00 0.02 0.00 0.00 55.97 55.26 3hux s LYS 10 Cb 0.00 0.54 0.06 0.00 -0.52 0.00 0.00 37.83 37.91 3hux s LYS 10 CO 0.00 -0.66 -0.03 -0.65 -0.92 0.00 0.00 175.35 173.10 3hux s GLN 11 N -3.67 1.31 0.15 1.68 -0.21 -1.26 -2.66 119.66 115.00 3hux s GLN 11 Ca 0.08 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.67 3hux s GLN 11 Cb -0.03 -2.40 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 3hux s GLN 11 CO -0.00 -0.60 0.35 0.71 -2.12 0.00 0.00 175.29 173.62 3hux s TYR 12 N 1.56 3.49 -0.29 0.91 2.02 -1.13 -4.93 117.35 118.98 3hux s TYR 12 Ca -0.04 0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.96 3hux s TYR 12 Cb -0.18 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.48 3hux s TYR 12 CO -0.07 0.44 0.14 0.50 -1.57 0.00 0.00 175.55 174.99 3hux s ARG 13 N -2.92 3.53 0.30 -0.62 3.00 -1.26 -1.37 118.95 119.61 3hux s ARG 13 Ca 0.39 -0.58 0.09 0.00 -1.00 0.00 0.00 55.73 54.63 3hux s ARG 13 Cb -0.12 -3.52 -0.05 0.00 0.00 0.00 0.00 34.95 31.27 3hux s ARG 13 CO 0.27 -0.31 0.00 0.14 0.00 0.00 0.00 175.30 175.40 3hux s VAL 14 N 1.64 3.02 0.10 7.11 -7.23 -1.25 -5.00 120.40 118.79 3hux s VAL 14 Ca 0.06 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 3hux s VAL 14 Cb -0.16 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 3hux s VAL 14 CO 0.06 -0.29 0.15 -1.61 -0.31 0.00 0.00 175.10 173.11 3hux s GLU 15 N -3.70 0.86 0.00 4.82 2.02 -1.26 -4.06 118.70 117.38 3hux s GLU 15 Ca 0.33 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3hux s GLU 15 Cb -0.04 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3hux s GLU 15 CO 0.20 -0.26 0.00 -2.30 0.02 0.00 0.00 175.26 172.91 3hux n PRO 16 N -0.06 0.00 -4.10 0.39 -0.02 -1.26 -4.32 135.00 125.63 3hux n PRO 16 Ca -0.13 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.21 3hux n PRO 16 Cb 0.62 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.97 3hux n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hux s GLY 17 N -0.01 0.37 0.00 -1.23 0.00 -1.20 -2.41 107.32 102.85 3hux s GLY 17 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.22 3hux s GLY 17 CO 0.00 -0.51 0.00 1.47 0.00 0.00 0.00 173.10 174.06 3hux n LEU 18 N 2.18 0.00 -0.96 0.66 -0.00 -1.26 -4.85 117.00 112.79 3hux n LEU 18 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.84 3hux n LEU 18 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 3hux n LEU 18 CO 0.23 0.00 -0.11 1.17 -0.00 0.00 0.00 177.39 178.68 3hux n LYS 19 N 0.00 -0.76 -4.21 1.47 3.00 -1.26 -4.61 118.16 111.79 3hux n LYS 19 Ca 0.00 0.60 -0.29 0.00 -0.00 0.00 0.00 58.31 58.62 3hux n LYS 19 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 35.03 33.81 3hux n LYS 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hux s LEU 20 N -4.73 2.47 1.00 3.14 1.02 -1.26 -4.80 118.68 115.51 3hux s LEU 20 Ca 0.00 -1.44 -0.13 0.00 0.02 0.00 0.00 54.13 52.58 3hux s LEU 20 Cb 0.00 -0.96 0.19 0.00 0.02 0.00 0.00 46.19 45.43 3hux s LEU 20 CO 0.00 -1.09 1.12 -0.13 0.02 0.00 0.00 176.35 176.26 3hux s ARG 21 N -4.18 0.44 0.37 1.70 3.00 -1.26 -3.50 118.95 115.52 3hux s ARG 21 Ca 0.21 0.34 -0.08 0.00 0.00 0.00 0.00 55.73 56.20 3hux s ARG 21 Cb -0.02 -1.75 0.03 0.00 0.00 0.00 0.00 34.95 33.21 3hux s ARG 21 CO 0.13 -2.69 0.62 0.14 0.00 0.00 0.00 175.30 173.51 3hux s VAL 22 N -3.10 0.00 0.72 3.52 -7.23 -0.09 -4.89 120.40 109.32 3hux s VAL 22 Ca 0.66 -1.34 -0.16 0.00 -1.81 0.00 0.00 61.98 59.33 3hux s VAL 22 Cb -0.16 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 3hux s VAL 22 CO 0.56 0.00 0.53 -0.62 -0.31 0.00 0.00 175.10 175.26 3hux n GLU 23 N -0.56 0.31 -1.64 4.82 -0.58 -1.26 -2.15 120.64 119.58 3hux n GLU 23 Ca -0.03 0.14 -0.56 0.00 -0.42 0.00 0.00 57.16 56.30 3hux n GLU 23 Cb 0.61 -1.83 -0.07 0.00 -0.57 0.00 0.00 31.44 29.58 3hux n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3hux n LYS 24 N -0.71 1.16 -4.32 3.49 0.00 -1.25 -4.45 118.16 112.07 3hux n LYS 24 Ca 0.10 0.41 -0.35 0.00 0.00 0.00 0.00 58.31 58.47 3hux n LYS 24 Cb 0.50 -2.19 -0.10 0.00 0.00 0.00 0.00 35.03 33.24 3hux n LYS 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hux s LEU 25 N 4.45 3.56 -0.90 3.14 1.43 -1.26 -5.01 118.68 124.08 3hux s LEU 25 Ca 1.01 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 3hux s LEU 25 Cb -1.02 -1.83 0.17 0.00 0.03 0.00 0.00 46.19 43.53 3hux s LEU 25 CO 0.62 0.31 2.37 -0.67 0.23 0.00 0.00 176.35 179.21 3hux n ASP 26 N 2.59 7.32 -3.86 2.29 2.03 -1.26 -4.83 116.55 120.82 3hux n ASP 26 Ca -0.18 -3.37 -0.30 0.00 0.52 0.00 0.00 54.79 51.46 3hux n ASP 26 Cb 0.53 -1.24 -0.15 0.00 -0.72 0.00 0.00 41.12 39.54 3hux n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hux s ALA 27 N -2.35 1.83 -0.17 -1.67 0.00 -1.26 -5.09 121.76 113.05 3hux s ALA 27 Ca 0.53 -1.53 -0.41 0.00 0.00 0.00 0.00 51.96 50.55 3hux s ALA 27 Cb 0.29 -1.53 -0.18 0.00 0.00 0.00 0.00 23.12 21.70 3hux s ALA 27 CO -0.20 -1.41 1.44 0.39 0.00 0.00 0.00 175.76 175.99 3hux n GLU 28 N 4.72 0.59 0.00 0.00 1.02 -1.26 -4.75 120.64 120.96 3hux n GLU 28 Ca -0.06 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3hux n GLU 28 Cb 0.44 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3hux n GLU 28 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3hux n PRO 29 N 3.36 0.00 -0.40 3.49 -0.02 -1.26 -0.16 135.00 140.01 3hux n PRO 29 Ca 0.24 0.00 0.39 0.00 -2.02 0.00 0.00 63.50 62.11 3hux n PRO 29 Cb 0.09 0.00 0.69 0.00 -0.02 0.00 0.00 33.50 34.26 3hux n PRO 29 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3hux h GLY 30 N 0.00 0.00 -0.70 -1.23 0.00 -1.85 -3.35 103.07 95.93 3hux h GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hux h GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3hux n ALA 31 N -2.63 0.00 -3.33 3.60 0.00 0.77 -4.60 120.51 114.33 3hux n ALA 31 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.62 3hux n ALA 31 Cb 1.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.96 3hux n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hux s THR 32 N -1.41 -0.51 0.51 0.00 2.01 -1.26 -3.15 115.64 111.82 3hux s THR 32 Ca 0.00 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 3hux s THR 32 Cb 0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 3hux s THR 32 CO 0.00 -0.41 0.81 0.68 -0.69 0.00 0.00 174.62 175.01 3hux s VAL 33 N 1.83 4.57 -0.14 3.82 -7.23 -0.19 -4.90 120.40 118.17 3hux s VAL 33 Ca 0.14 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.42 3hux s VAL 33 Cb -0.13 -3.75 0.05 0.00 0.56 0.00 0.00 36.38 33.11 3hux s VAL 33 CO -0.13 -0.74 0.04 -0.70 -0.31 0.00 0.00 175.10 173.26 3hux s GLU 34 N -4.80 0.41 -1.01 4.82 2.12 -1.26 -0.25 118.70 118.73 3hux s GLU 34 Ca 0.49 -0.10 -0.23 0.00 0.36 0.00 0.00 54.97 55.49 3hux s GLU 34 Cb -0.10 -1.54 -0.03 0.00 0.26 0.00 0.00 34.13 32.72 3hux s GLU 34 CO 0.45 -0.52 1.84 -0.51 -0.54 0.00 0.00 175.26 175.98 3hux s LEU 35 N 1.99 3.25 0.00 2.70 2.01 -0.83 -4.74 118.68 123.06 3hux s LEU 35 Ca 0.02 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 53.02 3hux s LEU 35 Cb -0.15 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.48 3hux s LEU 35 CO -0.07 -2.50 0.12 -0.81 1.01 0.00 0.00 176.35 174.10 3hux n PRO 36 N 8.71 0.20 -4.61 1.29 -0.04 -1.26 -3.68 135.00 135.61 3hux n PRO 36 Ca 0.40 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.56 3hux n PRO 36 Cb 0.47 -1.14 -0.17 0.00 -0.04 0.00 0.00 33.50 32.62 3hux n PRO 36 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hux s VAL 37 N -0.73 1.72 -0.28 0.52 -7.23 -1.26 -4.95 120.40 108.18 3hux s VAL 37 Ca 0.00 -0.78 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 3hux s VAL 37 Cb 0.00 -1.54 0.18 0.00 0.56 0.00 0.00 36.38 35.58 3hux s VAL 37 CO 0.00 0.48 1.35 -0.22 -0.31 0.00 0.00 175.10 176.40 3hux s LEU 38 N 0.85 -0.05 -0.06 1.32 0.20 -1.26 -3.92 118.68 115.76 3hux s LEU 38 Ca -0.08 0.04 -0.04 0.00 0.69 0.00 0.00 54.13 54.74 3hux s LEU 38 Cb -0.15 1.11 0.03 0.00 -0.43 0.00 0.00 46.19 46.75 3hux s LEU 38 CO -0.00 -0.05 0.15 -0.76 -0.29 0.00 0.00 176.35 175.40 3hux s LEU 39 N -1.17 0.99 0.00 -0.68 2.01 0.19 -2.61 118.68 117.42 3hux s LEU 39 Ca 0.09 0.31 0.00 0.00 0.01 0.00 0.00 54.13 54.54 3hux s LEU 39 Cb -0.01 0.44 0.00 0.00 0.01 0.00 0.00 46.19 46.63 3hux s LEU 39 CO -0.07 -0.11 0.00 0.18 1.01 0.00 0.00 176.35 177.36 3hux n LEU 40 N 3.72 0.00 0.00 1.79 4.77 -1.19 -2.24 117.00 123.85 3hux n LEU 40 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3hux n LEU 40 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3hux n LEU 40 CO 0.19 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3hux n GLY 41 N 0.00 0.70 0.00 -0.72 0.00 -1.26 -4.36 105.19 99.55 3hux n GLY 41 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.33 3hux n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 42 N -0.11 -0.74 0.53 -0.02 0.00 -1.26 -1.40 105.19 102.19 3hux n GLY 42 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.00 3hux n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hux n GLU 43 N -1.23 2.80 -2.24 1.61 -0.58 -1.26 -4.98 120.64 114.76 3hux n GLU 43 Ca 0.08 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.68 3hux n GLU 43 Cb 0.11 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 3hux n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hux n LYS 44 N -0.02 -5.50 0.00 3.49 5.02 -0.49 -5.02 118.16 115.63 3hux n LYS 44 Ca 0.12 3.93 0.00 0.00 -2.02 0.00 0.00 58.31 60.34 3hux n LYS 44 Cb 0.50 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 3hux n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3hux n THR 45 N 1.90 0.00 0.00 -0.18 -1.04 -1.26 -4.85 114.28 108.85 3hux n THR 45 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hux n THR 45 Cb 0.00 1.31 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 3hux n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3hux n VAL 46 N 0.00 0.00 -2.69 12.58 3.14 -1.26 -4.67 118.33 125.43 3hux n VAL 46 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 3hux n VAL 46 Cb 0.34 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 33.19 3hux n VAL 46 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 3hux n VAL 47 N 0.00 0.57 0.00 1.55 0.24 -1.26 -3.16 118.33 116.26 3hux n VAL 47 Ca 0.00 -1.79 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 3hux n VAL 47 Cb 0.00 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 3hux n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hux n GLY 48 N -0.86 1.02 0.00 7.63 0.00 -1.26 -3.38 105.19 108.34 3hux n GLY 48 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3hux n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hux n THR 49 N 0.00 0.00 0.00 2.61 -1.04 -1.26 -4.93 114.28 109.66 3hux n THR 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hux n THR 49 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hux n THR 49 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hux n PRO 50 N 0.00 0.00 -1.49 -2.82 -0.02 -1.22 -4.92 135.00 124.53 3hux n PRO 50 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 3hux n PRO 50 Cb 0.00 -0.44 0.07 0.00 -0.02 0.00 0.00 33.50 33.11 3hux n PRO 50 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hux s VAL 51 N -0.09 3.66 -0.30 -1.45 1.01 -1.25 -4.43 120.40 117.55 3hux s VAL 51 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.39 3hux s VAL 51 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3hux s VAL 51 CO 0.00 -0.70 0.28 0.54 0.00 0.00 0.00 175.10 175.21 3hux s VAL 52 N -3.04 5.24 0.00 2.92 0.11 -1.07 -4.60 120.40 119.97 3hux s VAL 52 Ca 0.59 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.79 3hux s VAL 52 Cb -0.15 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 3hux s VAL 52 CO 0.55 0.10 0.00 -0.62 -3.33 0.00 0.00 175.10 171.80 3hux n GLU 53 N 5.20 0.89 0.00 1.54 1.02 -1.26 -3.76 120.64 124.27 3hux n GLU 53 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3hux n GLU 53 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 3hux n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hux n GLY 54 N 0.00 0.00 2.91 0.62 0.00 -1.26 -4.59 105.19 102.88 3hux n GLY 54 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hux n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux s ALA 55 N 0.00 0.07 0.10 4.61 0.00 -1.25 -4.83 121.76 120.47 3hux s ALA 55 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 3hux s ALA 55 Cb 0.00 0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.24 3hux s ALA 55 CO 0.00 -0.05 0.82 -1.54 0.00 0.00 0.00 175.76 174.99 3hux s SER 56 N -0.50 -0.36 -0.20 0.00 1.04 -1.16 -4.61 113.70 107.92 3hux s SER 56 Ca -0.05 -0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.18 3hux s SER 56 Cb -0.03 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 3hux s SER 56 CO -0.00 -0.85 -0.06 0.54 0.98 0.00 0.00 173.24 173.85 3hux s VAL 57 N -3.40 3.38 -0.45 5.02 0.11 -1.24 -3.48 120.40 120.33 3hux s VAL 57 Ca 0.06 -0.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.32 3hux s VAL 57 Cb -0.02 -2.51 0.03 0.00 -1.53 0.00 0.00 36.38 32.35 3hux s VAL 57 CO -0.06 0.45 1.15 -0.69 -3.33 0.00 0.00 175.10 172.62 3hux s VAL 58 N 1.15 4.22 -0.12 2.04 1.01 0.50 -1.96 120.40 127.25 3hux s VAL 58 Ca 0.02 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3hux s VAL 58 Cb -0.14 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 3hux s VAL 58 CO -0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 175.10 174.03 3hux s ALA 59 N 4.41 2.63 0.36 5.51 0.00 0.65 0.47 121.76 135.79 3hux s ALA 59 Ca 0.48 -0.90 -0.09 0.00 0.00 0.00 0.00 51.96 51.46 3hux s ALA 59 Cb -0.08 -1.18 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 3hux s ALA 59 CO 0.30 0.29 0.69 -2.00 0.00 0.00 0.00 175.76 175.03 3hux s GLU 60 N 0.21 3.74 -0.19 0.00 2.12 -0.43 -1.02 118.70 123.14 3hux s GLU 60 Ca -0.08 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 3hux s GLU 60 Cb -0.15 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 3hux s GLU 60 CO 0.05 0.07 -0.02 0.54 -0.54 0.00 0.00 175.26 175.36 3hux s VAL 61 N -2.23 3.82 0.01 3.70 0.11 -1.19 -0.51 120.40 124.12 3hux s VAL 61 Ca 0.49 -0.37 -0.19 0.00 -2.93 0.00 0.00 61.98 58.98 3hux s VAL 61 Cb -0.10 -2.71 -0.24 0.00 -1.53 0.00 0.00 36.38 31.80 3hux s VAL 61 CO 0.30 0.45 1.11 -0.07 -3.33 0.00 0.00 175.10 173.56 3hux h LEU 62 N 7.31 0.59 0.00 2.54 -0.00 -1.40 -3.36 115.31 120.99 3hux h LEU 62 Ca -0.35 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 56.77 3hux h LEU 62 Cb 1.18 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 3hux h LEU 62 CO 0.61 1.27 0.00 0.61 -0.00 0.00 0.00 178.44 180.93 3hux n GLY 63 N 1.08 -0.57 3.29 0.83 0.00 -1.24 -4.74 105.19 103.84 3hux n GLY 63 Ca -0.10 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3hux n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hux s HIS 64 N -3.13 1.49 0.00 1.61 3.76 -1.26 -2.92 115.29 114.83 3hux s HIS 64 Ca 0.00 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 3hux s HIS 64 Cb 0.00 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.96 3hux s HIS 64 CO 0.00 0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 3hux n GLY 65 N -0.08 4.48 3.33 -2.22 0.00 0.30 -4.92 105.19 106.08 3hux n GLY 65 Ca -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 44.97 3hux n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hux s ARG 66 N 1.63 0.53 0.59 1.61 0.52 -1.26 -2.71 118.95 119.86 3hux s ARG 66 Ca 0.00 1.09 -0.20 0.00 -0.52 0.00 0.00 55.73 56.10 3hux s ARG 66 Cb 0.00 0.63 -0.04 0.00 0.52 0.00 0.00 34.95 36.06 3hux s ARG 66 CO 0.00 -0.42 1.24 0.41 0.02 0.00 0.00 175.30 176.55 3hux n GLY 67 N 5.41 0.44 3.46 -3.53 0.00 -0.20 -4.86 105.19 105.91 3hux n GLY 67 Ca -0.05 -0.06 -0.50 0.00 0.00 0.00 0.00 46.02 45.40 3hux n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hux n LYS 68 N -1.26 0.29 -1.44 1.61 3.00 -1.26 -4.42 118.16 114.68 3hux n LYS 68 Ca 0.13 0.10 -0.37 0.00 -0.00 0.00 0.00 58.31 58.17 3hux n LYS 68 Cb 0.46 -1.30 0.05 0.00 0.00 0.00 0.00 35.03 34.24 3hux n LYS 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hux n LYS 69 N 1.16 0.54 -4.95 1.64 4.81 -1.26 -4.86 118.16 115.23 3hux n LYS 69 Ca 0.17 0.22 -0.27 0.00 -0.87 0.00 0.00 58.31 57.56 3hux n LYS 69 Cb 0.22 -1.88 -0.16 0.00 0.02 0.00 0.00 35.03 33.23 3hux n LYS 69 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3hux s ILE 70 N -1.73 1.59 -0.47 3.15 1.01 -0.38 -4.99 121.20 119.38 3hux s ILE 70 Ca 0.70 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 3hux s ILE 70 Cb -0.40 -1.36 0.08 0.00 0.01 0.00 0.00 42.46 40.79 3hux s ILE 70 CO 0.53 0.45 0.37 -0.76 0.00 0.00 0.00 174.94 175.54 3hux s LEU 71 N -0.05 5.57 -0.54 2.97 1.43 -1.26 -2.38 118.68 124.42 3hux s LEU 71 Ca -0.03 -1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 3hux s LEU 71 Cb -0.12 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.07 3hux s LEU 71 CO 0.02 -0.64 0.55 -0.69 0.23 0.00 0.00 176.35 175.82 3hux s VAL 72 N 1.58 5.07 -0.13 -1.59 1.01 -0.80 -4.97 120.40 120.56 3hux s VAL 72 Ca 0.04 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.83 3hux s VAL 72 Cb -0.25 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.81 3hux s VAL 72 CO 0.05 -0.89 -0.15 -0.94 0.00 0.00 0.00 175.10 173.17 3hux s SER 73 N 3.36 2.61 -0.03 3.32 1.04 -1.26 -1.05 113.70 121.70 3hux s SER 73 Ca 0.07 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 3hux s SER 73 Cb -0.26 -1.16 -0.05 0.00 0.10 0.00 0.00 66.02 64.65 3hux s SER 73 CO 0.05 -0.02 0.24 -0.54 0.98 0.00 0.00 173.24 173.95 3hux s LYS 74 N 1.26 3.57 -0.05 4.02 1.02 -0.04 -4.92 119.74 124.59 3hux s LYS 74 Ca -0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 3hux s LYS 74 Cb -0.14 -3.13 0.04 0.00 -0.52 0.00 0.00 37.83 34.08 3hux s LYS 74 CO -0.07 0.69 0.11 0.12 -0.92 0.00 0.00 175.35 175.28 3hux s PHE 75 N -1.20 -0.09 -0.18 3.18 2.19 -1.26 -0.44 117.98 120.18 3hux s PHE 75 Ca 0.23 0.37 0.01 0.00 0.33 0.00 0.00 56.93 57.87 3hux s PHE 75 Cb -0.13 -0.17 0.02 0.00 -1.31 0.00 0.00 43.02 41.43 3hux s PHE 75 CO 0.12 -0.15 -0.19 0.15 1.83 0.00 0.00 175.22 176.98 3hux s LYS 76 N 1.27 2.87 0.65 10.12 1.02 0.37 -5.01 119.74 131.03 3hux s LYS 76 Ca -0.08 -0.80 -0.16 0.00 0.02 0.00 0.00 55.97 54.95 3hux s LYS 76 Cb -0.12 -2.51 -0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3hux s LYS 76 CO -0.05 -0.22 1.16 0.00 -0.92 0.00 0.00 175.35 175.32 3hux s ALA 77 N 1.31 2.41 -1.49 5.17 0.00 -1.26 -3.57 121.76 124.32 3hux s ALA 77 Ca 0.05 0.78 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 3hux s ALA 77 Cb -0.13 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.64 3hux s ALA 77 CO -0.12 -1.37 0.53 1.63 0.00 0.00 0.00 175.76 176.42 3hux n LYS 78 N -2.19 -3.30 0.00 0.00 5.02 -1.26 -4.73 118.16 111.70 3hux n LYS 78 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3hux n LYS 78 Cb 0.51 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 3hux n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3hux n VAL 79 N -4.42 0.00 -2.42 -0.18 3.14 -1.25 -5.02 118.33 108.18 3hux n VAL 79 Ca -0.20 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.05 3hux n VAL 79 Cb 0.63 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.45 3hux n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hux n GLN 80 N 0.00 -1.76 -3.60 1.45 1.13 -1.25 -4.99 117.38 108.36 3hux n GLN 80 Ca 0.00 0.59 -0.40 0.00 -1.94 0.00 0.00 57.00 55.25 3hux n GLN 80 Cb 0.00 -4.76 -0.10 0.00 0.11 0.00 0.00 30.24 25.49 3hux n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3hux s TYR 81 N -2.74 3.31 -0.02 1.08 6.14 -1.23 -5.02 117.35 118.86 3hux s TYR 81 Ca 0.07 -1.37 0.04 0.00 0.64 0.00 0.00 57.07 56.45 3hux s TYR 81 Cb -0.03 -2.80 -0.01 0.00 0.42 0.00 0.00 41.96 39.54 3hux s TYR 81 CO 0.09 -0.79 -0.14 1.03 0.64 0.00 0.00 175.55 176.37 3hux s ARG 82 N 1.46 1.25 -0.07 4.97 0.52 -1.26 -0.48 118.95 125.34 3hux s ARG 82 Ca 0.02 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 3hux s ARG 82 Cb -0.22 -1.17 0.03 0.00 0.52 0.00 0.00 34.95 34.11 3hux s ARG 82 CO 0.03 0.26 0.17 1.03 0.02 0.00 0.00 175.30 176.81 3hux s ARG 83 N -0.16 0.15 -0.08 3.54 1.81 0.41 -4.98 118.95 119.65 3hux s ARG 83 Ca 0.02 0.33 0.05 0.00 -1.72 0.00 0.00 55.73 54.41 3hux s ARG 83 Cb -0.07 -0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 3hux s ARG 83 CO 0.00 -0.10 -0.23 0.21 -0.68 0.00 0.00 175.30 174.50 3hux s LYS 84 N 0.70 2.77 -0.02 3.54 2.20 -1.26 -0.86 119.74 126.81 3hux s LYS 84 Ca -0.05 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.70 3hux s LYS 84 Cb -0.07 -2.26 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3hux s LYS 84 CO -0.04 0.32 0.01 0.21 -0.36 0.00 0.00 175.35 175.49 3hux s LYS 85 N -0.00 0.11 -0.24 4.03 2.47 -0.22 -4.99 119.74 120.90 3hux s LYS 85 Ca -0.08 0.09 -0.14 0.00 -1.56 0.00 0.00 55.97 54.28 3hux s LYS 85 Cb -0.15 -0.29 -0.04 0.00 -1.46 0.00 0.00 37.83 35.89 3hux s LYS 85 CO 0.05 -0.10 0.32 0.20 0.16 0.00 0.00 175.35 175.98 3hux s GLY 86 N 0.75 1.98 -0.10 5.54 0.00 -1.26 -1.91 107.32 112.32 3hux s GLY 86 Ca -0.07 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3hux s GLY 86 CO -0.02 0.77 -0.10 -1.58 0.00 0.00 0.00 173.10 172.17 3hux s HIS 87 N 1.56 1.57 -0.32 1.90 2.46 -1.00 -5.00 115.29 116.46 3hux s HIS 87 Ca 0.14 -0.73 0.00 0.00 0.47 0.00 0.00 55.06 54.94 3hux s HIS 87 Cb -0.15 -1.23 0.10 0.00 -0.13 0.00 0.00 32.58 31.17 3hux s HIS 87 CO 0.08 -0.46 0.09 1.03 -2.47 0.00 0.00 174.74 173.01 3hux s ARG 88 N 1.33 0.87 0.10 2.88 0.52 -1.26 -1.25 118.95 122.15 3hux s ARG 88 Ca -0.02 -1.24 -0.33 0.00 -0.52 0.00 0.00 55.73 53.62 3hux s ARG 88 Cb -0.14 -2.24 -0.13 0.00 0.52 0.00 0.00 34.95 32.97 3hux s ARG 88 CO -0.05 -0.98 1.71 1.04 0.02 0.00 0.00 175.30 177.04 3hux n GLN 89 N 4.72 2.34 -2.63 3.54 1.13 -1.26 -4.67 117.38 120.54 3hux n GLN 89 Ca -0.01 0.85 -0.42 0.00 -1.94 0.00 0.00 57.00 55.48 3hux n GLN 89 Cb 0.42 -2.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.08 3hux n GLN 89 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3hux s PRO 90 N 1.97 4.46 0.42 -1.09 0.02 -1.26 -1.04 135.00 138.49 3hux s PRO 90 Ca 0.82 1.48 0.03 0.00 0.02 0.00 0.00 61.00 63.35 3hux s PRO 90 Cb -0.63 -3.50 -0.03 0.00 0.02 0.00 0.00 34.50 30.37 3hux s PRO 90 CO 0.40 -0.24 0.09 1.52 -0.33 0.00 0.00 177.00 178.45 3hux s TYR 91 N 1.59 1.84 -0.14 6.54 -0.85 -1.10 -3.79 117.35 121.45 3hux s TYR 91 Ca 0.52 -1.17 -0.08 0.00 -0.52 0.00 0.00 57.07 55.82 3hux s TYR 91 Cb -0.21 -1.29 0.05 0.00 0.38 0.00 0.00 41.96 40.89 3hux s TYR 91 CO 0.23 -0.14 0.33 0.95 -1.52 0.00 0.00 175.55 175.41 3hux s THR 92 N -3.13 -0.03 -0.15 -3.49 -4.23 -0.91 0.11 115.64 103.81 3hux s THR 92 Ca 0.21 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.62 3hux s THR 92 Cb 0.03 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 3hux s THR 92 CO 0.12 0.04 0.62 -1.61 -0.54 0.00 0.00 174.62 173.25 3hux s GLU 93 N 1.19 4.30 0.33 3.99 2.02 -1.15 -0.91 118.70 128.47 3hux s GLU 93 Ca -0.08 0.65 0.08 0.00 0.02 0.00 0.00 54.97 55.64 3hux s GLU 93 Cb -0.08 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 3hux s GLU 93 CO -0.09 -0.07 0.17 -0.51 0.02 0.00 0.00 175.26 174.77 3hux s LEU 94 N 1.34 3.36 -0.20 1.80 1.43 -1.23 -1.31 118.68 123.86 3hux s LEU 94 Ca 0.30 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3hux s LEU 94 Cb -0.16 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.25 3hux s LEU 94 CO 0.12 -0.27 0.03 -0.22 0.23 0.00 0.00 176.35 176.24 3hux s LEU 95 N -3.86 1.33 0.29 1.79 0.20 0.34 -4.29 118.68 114.47 3hux s LEU 95 Ca 0.38 -0.89 -0.30 0.00 0.69 0.00 0.00 54.13 54.00 3hux s LEU 95 Cb -0.04 -0.65 -0.12 0.00 -0.43 0.00 0.00 46.19 44.96 3hux s LEU 95 CO 0.23 -0.31 1.62 -0.63 -0.29 0.00 0.00 176.35 176.98 3hux s ILE 96 N 1.81 2.01 -0.16 6.68 -1.09 -1.26 -1.32 121.20 127.87 3hux s ILE 96 Ca -0.01 0.01 -0.10 0.00 -2.23 0.00 0.00 60.65 58.32 3hux s ILE 96 Cb -0.17 -3.01 -0.07 0.00 -1.58 0.00 0.00 42.46 37.63 3hux s ILE 96 CO -0.09 0.00 -0.25 0.29 -1.23 0.00 0.00 174.94 173.67 3hux n LYS 97 N 2.34 0.39 -3.69 2.79 4.76 0.18 -3.26 118.16 121.67 3hux n LYS 97 Ca 0.09 0.17 -0.12 0.00 -2.87 0.00 0.00 58.31 55.58 3hux n LYS 97 Cb 0.37 -1.17 -0.09 0.00 -1.84 0.00 0.00 35.03 32.30 3hux n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3hux s GLU 98 N -2.43 0.55 -0.72 1.97 -1.05 -0.87 -4.61 118.70 111.54 3hux s GLU 98 Ca -0.25 0.77 -0.03 0.00 -0.15 0.00 0.00 54.97 55.32 3hux s GLU 98 Cb 0.08 0.19 0.25 0.00 -0.44 0.00 0.00 34.13 34.21 3hux s GLU 98 CO 0.33 -0.10 2.28 0.44 0.95 0.00 0.00 175.26 179.15 3hux n ILE 99 N 3.34 3.51 -1.59 1.83 -0.00 -1.26 -0.37 119.36 124.82 3hux n ILE 99 Ca -0.17 -3.87 -0.37 0.00 -0.00 0.00 0.00 62.75 58.34 3hux n ILE 99 Cb 0.56 -1.36 -0.03 0.00 -0.00 0.00 0.00 39.64 38.81 3hux n ILE 99 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hux s ARG 100 N -3.29 2.30 0.00 6.28 1.70 -1.23 -4.87 118.95 119.84 3hux s ARG 100 Ca 0.54 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 57.28 3hux s ARG 100 Cb 0.42 -4.54 0.00 0.00 -0.57 0.00 0.00 34.95 30.26 3hux s ARG 100 CO -0.35 -3.05 0.39 0.41 -1.08 0.00 0.00 175.30 171.61