#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n PHE 2 N 0.00 0.00 -0.60 2.03 7.35 -1.26 -4.20 117.46 120.78 3huz n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3huz n PHE 2 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3huz n PHE 2 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3huz n ALA 3 N -3.00 -2.76 -3.63 3.13 0.00 -1.23 -4.32 120.51 108.71 3huz n ALA 3 Ca 0.00 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 3huz n ALA 3 Cb 0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 3huz n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3huz s ILE 4 N -0.94 4.11 -0.08 0.00 1.01 0.59 -3.34 121.20 122.55 3huz s ILE 4 Ca 0.00 -2.64 -0.30 0.00 0.00 0.00 0.00 60.65 57.71 3huz s ILE 4 Cb 0.00 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 3huz s ILE 4 CO 0.00 -0.88 1.15 0.54 0.00 0.00 0.00 174.94 175.75 3huz s VAL 5 N 0.26 4.41 -0.88 2.92 0.11 -1.04 -1.58 120.40 124.60 3huz s VAL 5 Ca 0.15 1.72 -0.08 0.00 -2.93 0.00 0.00 61.98 60.84 3huz s VAL 5 Cb -0.19 -4.10 0.22 0.00 -1.53 0.00 0.00 36.38 30.78 3huz s VAL 5 CO -0.04 -0.02 0.80 -0.75 -3.33 0.00 0.00 175.10 171.76 3huz s LYS 6 N 2.29 3.49 -0.53 1.54 2.20 -1.26 -0.76 119.74 126.70 3huz s LYS 6 Ca 0.53 -2.87 -0.11 0.00 -0.36 0.00 0.00 55.97 53.16 3huz s LYS 6 Cb -0.22 -4.22 0.13 0.00 -1.51 0.00 0.00 37.83 32.01 3huz s LYS 6 CO 0.20 -1.25 0.44 -0.08 -0.36 0.00 0.00 175.35 174.30 3huz s THR 7 N -0.61 4.62 0.00 3.43 -1.32 -1.06 -4.73 115.64 115.96 3huz s THR 7 Ca 0.23 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 3huz s THR 7 Cb -0.11 -3.99 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 3huz s THR 7 CO -0.08 -0.83 0.00 0.61 -2.21 0.00 0.00 174.62 172.10 3huz n GLY 8 N 4.85 0.33 2.57 6.08 0.00 -1.26 -4.42 105.19 113.34 3huz n GLY 8 Ca -0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 3huz n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 9 N -0.50 0.04 2.88 -0.02 0.00 -1.26 -4.88 105.19 101.46 3huz n GLY 9 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3huz n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 10 N -1.25 0.06 0.00 1.61 1.02 -1.26 -5.15 119.74 114.77 3huz s LYS 10 Ca 0.00 0.40 -0.23 0.00 0.02 0.00 0.00 55.97 56.16 3huz s LYS 10 Cb 0.00 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.04 3huz s LYS 10 CO 0.00 -0.20 0.67 -0.65 -0.92 0.00 0.00 175.35 174.25 3huz s GLN 11 N 1.45 4.40 0.46 1.68 -0.21 -1.26 -2.56 119.66 123.61 3huz s GLN 11 Ca -0.06 0.87 0.03 0.00 0.02 0.00 0.00 55.36 56.22 3huz s GLN 11 Cb -0.12 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.50 3huz s GLN 11 CO -0.06 0.28 0.08 0.71 -2.12 0.00 0.00 175.29 174.19 3huz s TYR 12 N 0.04 1.82 -0.48 0.91 4.12 0.06 -4.97 117.35 118.84 3huz s TYR 12 Ca 0.35 -1.16 0.03 0.00 0.02 0.00 0.00 57.07 56.31 3huz s TYR 12 Cb -0.19 -1.35 0.15 0.00 -1.52 0.00 0.00 41.96 39.06 3huz s TYR 12 CO 0.19 -0.09 0.31 0.50 0.02 0.00 0.00 175.55 176.49 3huz s ARG 13 N -3.77 1.40 0.46 -0.62 3.52 -1.26 -2.50 118.95 116.18 3huz s ARG 13 Ca 0.16 -2.28 -0.04 0.00 -0.13 0.00 0.00 55.73 53.44 3huz s ARG 13 Cb 0.02 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 3huz s ARG 13 CO 0.10 -1.24 0.74 0.14 -0.81 0.00 0.00 175.30 174.23 3huz s VAL 14 N -0.06 4.80 0.29 7.11 -7.23 -1.21 -5.03 120.40 119.06 3huz s VAL 14 Ca 0.23 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.45 3huz s VAL 14 Cb -0.13 -3.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.96 3huz s VAL 14 CO -0.08 -0.74 0.17 -1.61 -0.31 0.00 0.00 175.10 172.53 3huz s GLU 15 N -4.67 1.53 0.00 4.82 2.02 -1.26 -4.42 118.70 116.72 3huz s GLU 15 Ca 0.47 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.59 3huz s GLU 15 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.18 3huz s GLU 15 CO 0.43 -0.47 0.00 -2.30 0.02 0.00 0.00 175.26 172.94 3huz n PRO 16 N -0.52 0.00 -3.54 0.39 -0.02 -1.26 -4.09 135.00 125.95 3huz n PRO 16 Ca 0.02 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.28 3huz n PRO 16 Cb 0.65 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.98 3huz n PRO 16 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3huz s GLY 17 N 0.00 0.18 0.00 -1.23 0.00 -1.26 -3.94 107.32 101.07 3huz s GLY 17 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.63 3huz s GLY 17 CO 0.00 1.98 0.00 1.47 0.00 0.00 0.00 173.10 176.55 3huz n LEU 18 N 5.30 0.00 -1.45 0.66 -0.00 -1.26 -4.93 117.00 115.31 3huz n LEU 18 Ca -0.06 0.00 0.19 0.00 -0.00 0.00 0.00 56.01 56.14 3huz n LEU 18 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.84 3huz n LEU 18 CO 0.08 0.00 -0.48 1.17 -0.00 0.00 0.00 177.39 178.17 3huz n LYS 19 N -0.40 -3.17 0.00 1.47 3.00 -1.26 -4.50 118.16 113.30 3huz n LYS 19 Ca 0.00 2.39 0.00 0.00 -0.00 0.00 0.00 58.31 60.70 3huz n LYS 19 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 35.03 31.25 3huz n LYS 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3huz n LEU 20 N -4.33 0.00 -4.13 3.14 4.32 -1.26 -4.90 117.00 109.83 3huz n LEU 20 Ca -0.04 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.76 3huz n LEU 20 Cb 0.68 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.35 3huz n LEU 20 CO 0.03 0.00 -0.46 -0.13 -1.22 0.00 0.00 177.39 175.61 3huz s ARG 21 N 4.11 0.87 0.00 3.23 3.00 -1.26 -2.36 118.95 126.54 3huz s ARG 21 Ca 0.00 -0.76 0.15 0.00 0.00 0.00 0.00 55.73 55.12 3huz s ARG 21 Cb 0.00 -0.86 0.25 0.00 0.00 0.00 0.00 34.95 34.33 3huz s ARG 21 CO 0.00 0.21 1.08 1.33 0.00 0.00 0.00 175.30 177.92 3huz n VAL 22 N 1.82 0.00 -0.14 3.52 0.24 -1.09 -4.95 118.33 117.74 3huz n VAL 22 Ca -0.19 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3huz n VAL 22 Cb 0.55 0.77 0.00 0.00 -1.47 0.00 0.00 33.84 33.68 3huz n VAL 22 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3huz n GLU 23 N 0.29 0.00 -0.15 7.34 -0.58 -1.26 -4.58 120.64 121.69 3huz n GLU 23 Ca 0.01 0.09 -0.06 0.00 -0.42 0.00 0.00 57.16 56.78 3huz n GLU 23 Cb 0.95 -0.05 -0.01 0.00 -0.57 0.00 0.00 31.44 31.76 3huz n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3huz n LYS 24 N 2.46 0.00 -3.63 3.49 4.76 -1.23 -4.63 118.16 119.39 3huz n LYS 24 Ca 0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 3huz n LYS 24 Cb 0.00 -0.17 -0.05 0.00 -1.84 0.00 0.00 35.03 32.97 3huz n LYS 24 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3huz s LEU 25 N 0.78 4.30 0.40 -0.35 1.43 -1.26 -4.97 118.68 119.02 3huz s LEU 25 Ca 0.14 0.68 0.25 0.00 -1.03 0.00 0.00 54.13 54.18 3huz s LEU 25 Cb -0.16 -3.15 1.38 0.00 0.03 0.00 0.00 46.19 44.29 3huz s LEU 25 CO 0.07 0.11 1.77 -0.78 0.23 0.00 0.00 176.35 177.74 3huz h ASP 26 N 3.26 0.00 -3.02 2.29 3.58 -2.04 -3.44 116.42 117.05 3huz h ASP 26 Ca -0.48 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.39 3huz h ASP 26 Cb 1.18 0.00 0.11 0.00 1.72 0.00 0.00 39.33 42.34 3huz h ASP 26 CO 0.69 0.00 0.40 0.00 -2.88 0.00 0.00 179.24 177.45 3huz n ALA 27 N -1.81 0.82 -1.23 -0.78 0.00 -1.26 -5.01 120.51 111.23 3huz n ALA 27 Ca -0.02 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.68 3huz n ALA 27 Cb 0.09 -2.18 0.13 0.00 0.00 0.00 0.00 19.45 17.48 3huz n ALA 27 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3huz n GLU 28 N 0.70 -1.58 0.00 0.00 -0.58 -1.26 -5.04 120.64 112.88 3huz n GLU 28 Ca 0.07 -1.04 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 3huz n GLU 28 Cb 0.34 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 3huz n GLU 28 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3huz n PRO 29 N -3.02 1.78 -0.73 3.49 -0.02 -1.26 -4.14 135.00 131.10 3huz n PRO 29 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.56 3huz n PRO 29 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.80 3huz n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 30 N 0.00 0.04 0.00 -1.23 0.00 -1.25 -4.61 105.19 98.15 3huz n GLY 30 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3huz n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 31 N 3.15 0.00 -3.64 4.61 0.00 -1.22 -4.90 120.51 118.52 3huz n ALA 31 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3huz n ALA 31 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 3huz n ALA 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3huz s THR 32 N 2.28 0.00 -0.24 0.00 2.01 -1.26 -4.34 115.64 114.08 3huz s THR 32 Ca 0.00 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 3huz s THR 32 Cb 0.00 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.62 3huz s THR 32 CO 0.00 0.00 0.52 0.68 -0.69 0.00 0.00 174.62 175.13 3huz s VAL 33 N -0.04 -0.77 -0.16 3.82 -7.23 -0.92 -4.87 120.40 110.22 3huz s VAL 33 Ca 0.04 0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 60.11 3huz s VAL 33 Cb -0.04 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 3huz s VAL 33 CO -0.09 0.04 0.54 -0.70 -0.31 0.00 0.00 175.10 174.58 3huz s GLU 34 N 2.69 4.26 -0.99 4.82 2.12 -1.26 -1.38 118.70 128.96 3huz s GLU 34 Ca -0.04 0.50 -0.19 0.00 0.36 0.00 0.00 54.97 55.60 3huz s GLU 34 Cb -0.12 -3.52 0.12 0.00 0.26 0.00 0.00 34.13 30.88 3huz s GLU 34 CO -0.16 -0.05 1.24 -0.51 -0.54 0.00 0.00 175.26 175.24 3huz s LEU 35 N 1.31 4.80 0.00 2.70 2.01 0.27 -4.83 118.68 124.94 3huz s LEU 35 Ca 0.27 -2.12 0.00 0.00 0.01 0.00 0.00 54.13 52.29 3huz s LEU 35 Cb -0.16 -2.43 0.00 0.00 0.01 0.00 0.00 46.19 43.62 3huz s LEU 35 CO 0.11 -1.08 0.00 -0.81 1.01 0.00 0.00 176.35 175.58 3huz n PRO 36 N 6.79 0.00 -4.46 1.29 -0.04 -1.26 -3.46 135.00 133.86 3huz n PRO 36 Ca 0.28 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.40 3huz n PRO 36 Cb 0.48 -0.98 -0.12 0.00 -0.04 0.00 0.00 33.50 32.85 3huz n PRO 36 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3huz s VAL 37 N -1.44 3.84 0.00 0.52 -7.23 -1.26 -4.79 120.40 110.04 3huz s VAL 37 Ca 0.00 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 59.78 3huz s VAL 37 Cb 0.00 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.29 3huz s VAL 37 CO 0.00 0.52 0.00 -0.11 -0.31 0.00 0.00 175.10 175.20 3huz n LEU 38 N 3.21 0.00 -4.14 1.32 0.00 -1.26 -4.18 117.00 111.95 3huz n LEU 38 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 56.01 55.59 3huz n LEU 38 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 43.42 43.79 3huz n LEU 38 CO 0.31 0.00 -0.49 -0.76 0.00 0.00 0.00 177.39 176.45 3huz s LEU 39 N 0.00 1.97 0.00 -1.96 2.01 -0.61 -3.56 118.68 116.53 3huz s LEU 39 Ca 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 53.82 3huz s LEU 39 Cb 0.00 -0.89 0.00 0.00 0.01 0.00 0.00 46.19 45.31 3huz s LEU 39 CO 0.00 0.18 0.00 0.18 1.01 0.00 0.00 176.35 177.72 3huz n LEU 40 N 2.90 0.00 0.00 1.79 7.99 -1.03 0.22 117.00 128.87 3huz n LEU 40 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 3huz n LEU 40 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 3huz n LEU 40 CO 0.24 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 3huz n GLY 41 N -0.47 1.81 0.23 -0.72 0.00 -1.26 -3.55 105.19 101.22 3huz n GLY 41 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.69 3huz n GLY 41 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3huz h GLY 42 N 0.00 0.00 -4.43 -0.02 0.00 -1.89 -2.67 103.07 94.07 3huz h GLY 42 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 3huz h GLY 42 CO 0.00 0.00 0.15 1.18 0.00 0.00 0.00 176.54 177.87 3huz n GLU 43 N -2.36 3.10 -3.06 4.80 -0.58 -1.26 -4.95 120.64 116.33 3huz n GLU 43 Ca -0.01 -3.89 -0.04 0.00 -0.42 0.00 0.00 57.16 52.80 3huz n GLU 43 Cb 0.38 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 3huz n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3huz n LYS 44 N -0.63 -1.58 -0.02 3.49 5.02 -1.01 -4.98 118.16 118.45 3huz n LYS 44 Ca 0.50 1.60 -0.05 0.00 -2.02 0.00 0.00 58.31 58.33 3huz n LYS 44 Cb 0.58 -5.50 -0.13 0.00 -0.02 0.00 0.00 35.03 29.96 3huz n LYS 44 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3huz n THR 45 N -1.46 1.34 -0.89 -0.18 -1.04 -1.21 -4.94 114.28 105.90 3huz n THR 45 Ca 0.01 -0.76 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 3huz n THR 45 Cb 0.50 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 3huz n THR 45 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 3huz n VAL 46 N -2.88 0.00 -2.85 12.58 3.14 -1.26 -4.59 118.33 122.47 3huz n VAL 46 Ca -0.18 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.24 3huz n VAL 46 Cb 0.99 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.77 3huz n VAL 46 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3huz s VAL 47 N 0.00 -0.04 0.04 1.55 -7.23 -1.26 -2.46 120.40 110.99 3huz s VAL 47 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 3huz s VAL 47 Cb 0.00 -0.01 -0.02 0.00 0.56 0.00 0.00 36.38 36.91 3huz s VAL 47 CO 0.00 0.00 0.57 0.61 -0.31 0.00 0.00 175.10 175.97 3huz n GLY 48 N 4.08 -1.25 0.00 2.32 0.00 -1.26 -4.48 105.19 104.60 3huz n GLY 48 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3huz n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3huz n THR 49 N -3.60 0.00 0.00 2.61 -2.24 -1.26 -5.05 114.28 104.75 3huz n THR 49 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3huz n THR 49 Cb 0.06 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3huz n THR 49 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3huz n PRO 50 N 0.00 0.00 -1.27 -0.78 -0.02 -1.26 -4.76 135.00 126.90 3huz n PRO 50 Ca 0.00 0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 3huz n PRO 50 Cb 0.00 -0.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.96 3huz n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3huz n VAL 51 N -0.31 0.00 -3.78 -1.45 0.31 -1.26 -4.75 118.33 107.09 3huz n VAL 51 Ca 0.00 -0.58 -0.30 0.00 -0.01 0.00 0.00 64.34 63.45 3huz n VAL 51 Cb 0.00 -1.30 -0.15 0.00 -0.91 0.00 0.00 33.84 31.48 3huz n VAL 51 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3huz s VAL 52 N -1.28 1.15 0.00 2.52 0.11 -1.23 -4.38 120.40 117.28 3huz s VAL 52 Ca 0.27 -1.67 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 3huz s VAL 52 Cb -0.01 -1.86 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 3huz s VAL 52 CO 0.18 -0.69 0.00 -0.62 -3.33 0.00 0.00 175.10 170.64 3huz n GLU 53 N 4.62 0.00 0.01 1.54 1.02 -1.26 0.07 120.64 126.64 3huz n GLU 53 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3huz n GLU 53 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.75 3huz n GLU 53 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3huz h GLY 54 N 0.00 -1.18 0.00 0.62 0.00 -1.97 -3.45 103.07 97.09 3huz h GLY 54 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3huz h GLY 54 CO 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 176.54 176.27 3huz n ALA 55 N -2.91 -0.62 -3.17 3.60 0.00 0.11 -4.94 120.51 112.58 3huz n ALA 55 Ca -0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 3huz n ALA 55 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 3huz n ALA 55 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3huz s SER 56 N 0.00 -0.30 -0.17 0.00 1.04 -1.23 -4.84 113.70 108.21 3huz s SER 56 Ca 0.00 0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.64 3huz s SER 56 Cb 0.00 1.26 -0.00 0.00 0.10 0.00 0.00 66.02 67.38 3huz s SER 56 CO 0.00 -0.06 -0.14 0.54 0.98 0.00 0.00 173.24 174.57 3huz s VAL 57 N 2.85 2.74 -0.13 5.02 0.11 -1.22 -3.39 120.40 126.38 3huz s VAL 57 Ca -0.04 -0.74 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 3huz s VAL 57 Cb -0.09 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.55 3huz s VAL 57 CO -0.10 0.50 0.23 -0.69 -3.33 0.00 0.00 175.10 171.71 3huz s VAL 58 N 0.92 5.35 -0.22 2.04 1.01 -0.44 0.94 120.40 130.00 3huz s VAL 58 Ca -0.03 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.29 3huz s VAL 58 Cb -0.15 -3.54 0.10 0.00 0.00 0.00 0.00 36.38 32.79 3huz s VAL 58 CO -0.01 0.50 0.46 0.00 0.00 0.00 0.00 175.10 176.05 3huz s ALA 59 N -0.25 -1.33 0.17 5.51 0.00 -0.48 0.75 121.76 126.12 3huz s ALA 59 Ca 0.15 1.63 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 3huz s ALA 59 Cb -0.13 -1.44 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 3huz s ALA 59 CO 0.04 -0.83 1.01 -2.00 0.00 0.00 0.00 175.76 173.98 3huz s GLU 60 N 2.67 4.70 0.23 0.00 2.12 -1.20 -2.18 118.70 125.04 3huz s GLU 60 Ca -0.01 1.56 -0.30 0.00 0.36 0.00 0.00 54.97 56.58 3huz s GLU 60 Cb -0.12 -3.32 -0.09 0.00 0.26 0.00 0.00 34.13 30.86 3huz s GLU 60 CO -0.14 0.24 1.01 0.14 -0.54 0.00 0.00 175.26 175.96 3huz s VAL 61 N -0.39 3.92 -0.14 3.70 -7.23 -1.26 -1.23 120.40 117.77 3huz s VAL 61 Ca 0.46 1.86 0.18 0.00 -1.81 0.00 0.00 61.98 62.68 3huz s VAL 61 Cb -0.26 -4.19 -0.25 0.00 0.56 0.00 0.00 36.38 32.24 3huz s VAL 61 CO 0.32 0.42 0.32 0.18 -0.31 0.00 0.00 175.10 176.03 3huz n LEU 62 N 1.63 0.20 0.00 1.32 7.99 0.10 -3.41 117.00 124.84 3huz n LEU 62 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 3huz n LEU 62 Cb 0.46 0.31 0.00 0.00 -0.11 0.00 0.00 43.42 44.08 3huz n LEU 62 CO 0.52 0.33 0.00 0.61 -1.51 0.00 0.00 177.39 177.34 3huz n GLY 63 N 1.58 -0.53 3.06 -0.72 0.00 -1.25 -4.40 105.19 102.92 3huz n GLY 63 Ca -0.22 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 3huz n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3huz s HIS 64 N -3.00 1.32 0.16 1.61 3.76 -1.26 -2.78 115.29 115.10 3huz s HIS 64 Ca 0.00 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 3huz s HIS 64 Cb 0.00 -0.92 -0.05 0.00 1.11 0.00 0.00 32.58 32.73 3huz s HIS 64 CO 0.00 -0.14 -0.05 0.20 -0.85 0.00 0.00 174.74 173.90 3huz s GLY 65 N 0.15 1.12 -0.32 -2.22 0.00 -1.03 -4.97 107.32 100.05 3huz s GLY 65 Ca -0.04 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.16 3huz s GLY 65 CO 0.01 -1.56 0.03 0.50 0.00 0.00 0.00 173.10 172.08 3huz s ARG 66 N -3.83 2.00 0.84 2.90 0.52 -1.26 -0.03 118.95 120.08 3huz s ARG 66 Ca 0.20 -1.59 -0.20 0.00 -0.52 0.00 0.00 55.73 53.61 3huz s ARG 66 Cb 0.05 -3.19 -0.15 0.00 0.52 0.00 0.00 34.95 32.18 3huz s ARG 66 CO 0.02 -0.80 -1.15 0.41 0.02 0.00 0.00 175.30 173.81 3huz n GLY 67 N 4.45 -2.40 3.72 -3.53 0.00 0.46 -4.75 105.19 103.14 3huz n GLY 67 Ca -0.06 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3huz n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3huz s LYS 68 N -1.88 4.41 -0.25 1.61 2.47 -1.26 -4.32 119.74 120.52 3huz s LYS 68 Ca 0.26 1.87 -0.29 0.00 -1.56 0.00 0.00 55.97 56.26 3huz s LYS 68 Cb 0.08 -3.30 -0.03 0.00 -1.46 0.00 0.00 37.83 33.12 3huz s LYS 68 CO 0.48 -0.28 1.81 0.21 0.16 0.00 0.00 175.35 177.73 3huz s LYS 69 N 0.86 3.53 -0.48 4.03 2.20 -1.25 -4.66 119.74 123.97 3huz s LYS 69 Ca 0.59 1.69 -0.06 0.00 -0.36 0.00 0.00 55.97 57.84 3huz s LYS 69 Cb -0.32 -4.16 0.13 0.00 -1.51 0.00 0.00 37.83 31.96 3huz s LYS 69 CO 0.31 -1.62 0.31 0.96 -0.36 0.00 0.00 175.35 174.95 3huz s ILE 70 N 6.31 3.77 -0.91 5.43 -4.36 -0.76 -4.84 121.20 125.84 3huz s ILE 70 Ca 0.81 -2.12 -0.24 0.00 -0.26 0.00 0.00 60.65 58.84 3huz s ILE 70 Cb -0.26 -3.51 -0.19 0.00 1.25 0.00 0.00 42.46 39.74 3huz s ILE 70 CO 0.33 -0.76 2.13 0.18 0.24 0.00 0.00 174.94 177.06 3huz n LEU 71 N 4.51 1.11 -4.70 0.37 4.77 -1.26 -4.20 117.00 117.59 3huz n LEU 71 Ca -0.02 -2.02 -0.42 0.00 -0.03 0.00 0.00 56.01 53.52 3huz n LEU 71 Cb 0.41 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 3huz n LEU 71 CO 0.37 -3.12 1.27 0.68 -1.33 0.00 0.00 177.39 175.25 3huz s VAL 72 N 14.70 2.84 -0.09 4.08 -7.23 -0.74 -4.83 120.40 129.13 3huz s VAL 72 Ca 0.81 0.48 -0.01 0.00 -1.81 0.00 0.00 61.98 61.46 3huz s VAL 72 Cb -0.10 -3.31 0.03 0.00 0.56 0.00 0.00 36.38 33.55 3huz s VAL 72 CO 0.16 0.02 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.98 3huz s SER 73 N 1.73 1.91 0.23 4.85 1.04 -1.26 -2.13 113.70 120.08 3huz s SER 73 Ca 0.72 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 3huz s SER 73 Cb -0.42 -0.67 -0.06 0.00 0.10 0.00 0.00 66.02 64.98 3huz s SER 73 CO 0.32 -0.15 0.50 -0.54 0.98 0.00 0.00 173.24 174.34 3huz s LYS 74 N 1.81 3.65 -0.28 4.02 1.02 -1.06 -4.95 119.74 123.95 3huz s LYS 74 Ca 0.05 0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.83 3huz s LYS 74 Cb -0.12 -2.71 0.08 0.00 -0.52 0.00 0.00 37.83 34.55 3huz s LYS 74 CO -0.07 0.31 0.74 0.12 -0.92 0.00 0.00 175.35 175.54 3huz s PHE 75 N -1.91 -0.87 0.01 3.18 2.19 -1.26 -1.88 117.98 117.44 3huz s PHE 75 Ca 0.43 1.93 0.06 0.00 0.33 0.00 0.00 56.93 59.68 3huz s PHE 75 Cb -0.11 0.43 -0.02 0.00 -1.31 0.00 0.00 43.02 42.01 3huz s PHE 75 CO 0.27 -0.42 -0.18 0.15 1.83 0.00 0.00 175.22 176.86 3huz s LYS 76 N 0.91 1.39 0.33 10.12 1.02 -1.07 -5.05 119.74 127.39 3huz s LYS 76 Ca -0.04 -0.73 -0.07 0.00 0.02 0.00 0.00 55.97 55.15 3huz s LYS 76 Cb -0.05 -1.39 -0.06 0.00 -0.52 0.00 0.00 37.83 35.82 3huz s LYS 76 CO -0.09 0.37 0.63 0.00 -0.92 0.00 0.00 175.35 175.35 3huz s ALA 77 N -0.56 3.52 -0.91 5.17 0.00 -1.26 -4.00 121.76 123.72 3huz s ALA 77 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3huz s ALA 77 Cb -0.07 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.60 3huz s ALA 77 CO 0.00 0.15 0.00 1.63 0.00 0.00 0.00 175.76 177.54 3huz n LYS 78 N -1.07 -2.19 -0.30 0.00 5.02 -1.26 -4.73 118.16 113.64 3huz n LYS 78 Ca -0.00 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3huz n LYS 78 Cb 0.54 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 3huz n LYS 78 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3huz n VAL 79 N -3.02 0.00 -3.50 -0.18 3.14 -1.26 -5.06 118.33 108.45 3huz n VAL 79 Ca -0.12 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.01 3huz n VAL 79 Cb 0.56 0.57 0.01 0.00 -1.06 0.00 0.00 33.84 33.91 3huz n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3huz n GLN 80 N 0.00 -1.41 -3.63 1.45 1.13 -1.26 -4.95 117.38 108.71 3huz n GLN 80 Ca 0.00 0.78 -0.17 0.00 -1.94 0.00 0.00 57.00 55.67 3huz n GLN 80 Cb 0.59 -1.84 -0.15 0.00 0.11 0.00 0.00 30.24 28.95 3huz n GLN 80 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3huz s TYR 81 N -2.44 -0.19 -0.13 1.08 6.14 -1.26 -5.07 117.35 115.49 3huz s TYR 81 Ca 0.08 0.50 -0.07 0.00 0.64 0.00 0.00 57.07 58.23 3huz s TYR 81 Cb -0.01 -0.30 0.05 0.00 0.42 0.00 0.00 41.96 42.13 3huz s TYR 81 CO 0.77 -0.36 0.31 1.03 0.64 0.00 0.00 175.55 177.94 3huz s ARG 82 N 2.30 0.27 -0.04 4.97 0.52 -1.26 -2.59 118.95 123.12 3huz s ARG 82 Ca 0.04 0.63 0.04 0.00 -0.52 0.00 0.00 55.73 55.93 3huz s ARG 82 Cb -0.13 -0.08 -0.00 0.00 0.52 0.00 0.00 34.95 35.26 3huz s ARG 82 CO -0.07 -0.17 -0.18 1.03 0.02 0.00 0.00 175.30 175.93 3huz s ARG 83 N 1.36 1.81 -0.27 3.54 1.81 -0.79 -5.01 118.95 121.40 3huz s ARG 83 Ca -0.09 -0.63 0.02 0.00 -1.72 0.00 0.00 55.73 53.32 3huz s ARG 83 Cb -0.10 -1.58 0.07 0.00 -0.45 0.00 0.00 34.95 32.89 3huz s ARG 83 CO -0.10 0.26 -0.05 0.21 -0.68 0.00 0.00 175.30 174.94 3huz s LYS 84 N -0.00 1.84 -0.25 3.54 2.20 -1.26 -2.57 119.74 123.24 3huz s LYS 84 Ca -0.03 -1.35 0.02 0.00 -0.36 0.00 0.00 55.97 54.25 3huz s LYS 84 Cb -0.11 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.43 3huz s LYS 84 CO 0.02 -0.67 -0.10 0.21 -0.36 0.00 0.00 175.35 174.44 3huz s LYS 85 N 1.16 2.14 0.47 4.03 2.47 -0.90 -5.05 119.74 124.05 3huz s LYS 85 Ca -0.03 -1.22 -0.20 0.00 -1.56 0.00 0.00 55.97 52.95 3huz s LYS 85 Cb -0.19 -2.79 -0.09 0.00 -1.46 0.00 0.00 37.83 33.30 3huz s LYS 85 CO -0.07 -0.55 1.00 0.20 0.16 0.00 0.00 175.35 176.09 3huz s GLY 86 N 1.19 2.43 -0.28 5.54 0.00 -1.26 -1.80 107.32 113.14 3huz s GLY 86 Ca -0.07 0.50 -0.08 0.00 0.00 0.00 0.00 44.72 45.07 3huz s GLY 86 CO -0.06 0.80 0.59 -1.58 0.00 0.00 0.00 173.10 172.85 3huz s HIS 87 N -2.10 -1.26 -0.15 1.90 2.46 -1.26 -4.92 115.29 109.96 3huz s HIS 87 Ca 0.65 2.05 0.01 0.00 0.47 0.00 0.00 55.06 58.24 3huz s HIS 87 Cb -0.13 0.65 0.00 0.00 -0.13 0.00 0.00 32.58 32.98 3huz s HIS 87 CO 0.18 -0.66 -0.18 1.03 -2.47 0.00 0.00 174.74 172.63 3huz s ARG 88 N 2.83 3.13 -0.16 2.88 0.52 -1.26 -1.83 118.95 125.06 3huz s ARG 88 Ca -0.01 -0.79 -0.16 0.00 -0.52 0.00 0.00 55.73 54.24 3huz s ARG 88 Cb -0.12 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3huz s ARG 88 CO -0.18 0.01 0.39 -0.65 0.02 0.00 0.00 175.30 174.89 3huz s GLN 89 N 0.80 4.27 0.06 3.54 -1.52 -1.26 -4.71 119.66 120.84 3huz s GLN 89 Ca -0.06 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.31 3huz s GLN 89 Cb -0.15 -3.46 -0.05 0.00 -0.22 0.00 0.00 33.01 29.13 3huz s GLN 89 CO -0.01 0.13 1.07 -1.25 -0.25 0.00 0.00 175.29 174.99 3huz s PRO 90 N 0.77 4.54 0.37 2.91 0.04 -1.26 0.17 135.00 142.54 3huz s PRO 90 Ca 0.21 1.59 0.05 0.00 0.04 0.00 0.00 61.00 62.89 3huz s PRO 90 Cb -0.14 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 3huz s PRO 90 CO 0.07 -0.07 0.18 1.52 0.04 0.00 0.00 177.00 178.75 3huz s TYR 91 N 0.71 1.75 -0.08 0.56 -0.85 0.95 -3.58 117.35 116.82 3huz s TYR 91 Ca 0.53 -1.43 -0.02 0.00 -0.52 0.00 0.00 57.07 55.64 3huz s TYR 91 Cb -0.26 -0.97 0.03 0.00 0.38 0.00 0.00 41.96 41.14 3huz s TYR 91 CO 0.30 -0.52 0.02 0.95 -1.52 0.00 0.00 175.55 174.77 3huz s THR 92 N -3.34 0.28 -0.46 -3.49 -4.23 -1.26 -2.45 115.64 100.69 3huz s THR 92 Ca 0.30 0.14 -0.20 0.00 -1.18 0.00 0.00 61.69 60.75 3huz s THR 92 Cb 0.03 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.41 3huz s THR 92 CO 0.19 0.20 0.64 -1.61 -0.54 0.00 0.00 174.62 173.50 3huz s GLU 93 N 2.01 3.23 0.56 3.99 2.02 -1.12 -2.68 118.70 126.71 3huz s GLU 93 Ca 0.05 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 3huz s GLU 93 Cb -0.13 -3.99 0.02 0.00 0.10 0.00 0.00 34.13 30.14 3huz s GLU 93 CO -0.05 -1.07 0.82 -0.51 0.02 0.00 0.00 175.26 174.47 3huz s LEU 94 N 2.79 3.29 -0.40 1.80 1.43 -1.00 0.03 118.68 126.62 3huz s LEU 94 Ca 0.21 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 3huz s LEU 94 Cb -0.15 -3.16 0.16 0.00 0.03 0.00 0.00 46.19 43.07 3huz s LEU 94 CO 0.17 -1.08 0.32 -0.22 0.23 0.00 0.00 176.35 175.77 3huz s LEU 95 N -4.85 1.12 -0.12 1.79 0.20 -0.36 -4.25 118.68 112.20 3huz s LEU 95 Ca 0.54 -2.72 -0.21 0.00 0.69 0.00 0.00 54.13 52.44 3huz s LEU 95 Cb -0.10 -0.30 -0.09 0.00 -0.43 0.00 0.00 46.19 45.26 3huz s LEU 95 CO 0.41 -0.21 0.63 -0.38 -0.29 0.00 0.00 176.35 176.52 3huz n ILE 96 N 3.23 0.00 0.00 6.68 2.08 -1.26 -3.23 119.36 126.86 3huz n ILE 96 Ca 0.24 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.55 3huz n ILE 96 Cb 0.45 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.22 3huz n ILE 96 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3huz n LYS 97 N 1.32 0.00 -4.66 0.38 4.76 0.23 -3.99 118.16 116.19 3huz n LYS 97 Ca 0.12 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.23 3huz n LYS 97 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 3huz n LYS 97 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3huz s GLU 98 N 0.05 3.31 -0.04 1.97 -1.05 -0.43 -4.74 118.70 117.76 3huz s GLU 98 Ca 0.00 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.21 3huz s GLU 98 Cb 0.00 -2.68 0.08 0.00 -0.44 0.00 0.00 34.13 31.09 3huz s GLU 98 CO 0.00 0.32 0.89 0.44 0.95 0.00 0.00 175.26 177.86 3huz n ILE 99 N 3.25 0.82 -0.64 1.83 -0.00 -1.26 -1.33 119.36 122.03 3huz n ILE 99 Ca -0.18 -0.19 -0.39 0.00 -0.00 0.00 0.00 62.75 61.99 3huz n ILE 99 Cb 0.53 -0.73 -0.11 0.00 -0.00 0.00 0.00 39.64 39.33 3huz n ILE 99 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 3huz n ARG 100 N 0.20 0.01 0.00 6.28 1.85 -1.23 -4.91 116.66 118.86 3huz n ARG 100 Ca 0.05 -1.02 0.13 0.00 -1.00 0.00 0.00 57.85 56.02 3huz n ARG 100 Cb 0.51 -2.57 0.39 0.00 -1.05 0.00 0.00 32.46 29.74 3huz n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03