#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgb s ARG 3 N 0.00 3.25 0.06 -0.52 0.52 -1.26 -1.94 118.95 119.07 2dgb s ARG 3 Ca 0.00 -0.27 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 2dgb s ARG 3 Cb 0.00 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 2dgb s ARG 3 CO 0.00 0.73 -0.09 0.71 0.02 0.00 0.00 175.30 176.67 2dgb s TYR 4 N -1.02 0.85 -0.15 -0.53 2.02 -0.51 0.43 117.35 118.43 2dgb s TYR 4 Ca 0.16 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2dgb s TYR 4 Cb -0.12 -0.49 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 2dgb s TYR 4 CO 0.06 -0.06 -0.19 -1.14 -1.57 0.00 0.00 175.55 172.65 2dgb s GLN 5 N -2.11 3.11 -0.13 -0.62 0.74 -0.04 -1.20 119.66 119.40 2dgb s GLN 5 Ca -0.03 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 2dgb s GLN 5 Cb -0.07 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 2dgb s GLN 5 CO -0.00 -0.02 -0.10 0.00 -0.55 0.00 0.00 175.29 174.62 2dgb s ALA 6 N 0.86 2.75 -0.38 1.58 0.00 0.13 -2.18 121.76 124.52 2dgb s ALA 6 Ca -0.05 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.92 2dgb s ALA 6 Cb -0.15 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.67 2dgb s ALA 6 CO -0.02 0.26 0.23 0.99 0.00 0.00 0.00 175.76 177.22 2dgb s THR 7 N 0.28 4.83 -0.09 0.00 2.01 0.30 -0.22 115.64 122.74 2dgb s THR 7 Ca -0.07 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.22 2dgb s THR 7 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2dgb s THR 7 CO 0.05 -0.21 -0.09 -0.76 -0.69 0.00 0.00 174.62 172.91 2dgb s LEU 8 N 1.61 3.00 -0.25 4.42 1.43 0.25 -1.84 118.68 127.29 2dgb s LEU 8 Ca 0.03 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2dgb s LEU 8 Cb -0.19 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 2dgb s LEU 8 CO 0.08 0.29 0.00 -0.76 0.23 0.00 0.00 176.35 176.20 2dgb s LEU 9 N -0.41 3.25 -0.35 1.79 1.43 -0.28 -0.48 118.68 123.63 2dgb s LEU 9 Ca 0.05 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2dgb s LEU 9 Cb -0.12 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2dgb s LEU 9 CO 0.02 -0.08 0.11 -0.63 0.23 0.00 0.00 176.35 176.01 2dgb s ILE 10 N 1.49 3.44 0.28 -0.59 1.01 0.67 -1.00 121.20 126.50 2dgb s ILE 10 Ca 0.04 -1.48 0.12 0.00 0.00 0.00 0.00 60.65 59.33 2dgb s ILE 10 Cb -0.15 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 2dgb s ILE 10 CO -0.01 -0.32 -0.18 -1.61 0.00 0.00 0.00 174.94 172.81 2dgb s GLU 11 N 1.29 1.73 0.31 2.79 2.02 -0.09 -0.70 118.70 126.04 2dgb s GLU 11 Ca 0.00 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 52.97 2dgb s GLU 11 Cb -0.21 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.11 2dgb s GLU 11 CO -0.00 0.34 1.35 -0.51 0.02 0.00 0.00 175.26 176.45 2dgb s LEU 12 N -3.50 4.41 0.60 1.80 1.43 -1.26 -0.45 118.68 121.71 2dgb s LEU 12 Ca 0.30 2.71 -0.19 0.00 -1.03 0.00 0.00 54.13 55.92 2dgb s LEU 12 Cb -0.05 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2dgb s LEU 12 CO 0.15 -0.60 1.21 -0.75 0.23 0.00 0.00 176.35 176.59 2dgb s LYS 13 N -1.46 2.92 0.40 1.70 2.20 -1.26 -4.76 119.74 119.48 2dgb s LYS 13 Ca 0.52 1.82 -0.27 0.00 -0.36 0.00 0.00 55.97 57.67 2dgb s LYS 13 Cb -0.41 -1.92 -0.10 0.00 -1.51 0.00 0.00 37.83 33.89 2dgb s LYS 13 CO 0.51 -1.24 1.46 0.15 -0.36 0.00 0.00 175.35 175.87 2dgb s LYS 14 N -3.37 4.00 0.00 4.03 3.01 -1.26 -2.38 119.74 123.77 2dgb s LYS 14 Ca 0.77 2.51 0.00 0.00 -1.01 0.00 0.00 55.97 58.24 2dgb s LYS 14 Cb -0.30 -2.88 0.00 0.00 -1.01 0.00 0.00 37.83 33.63 2dgb s LYS 14 CO 0.34 -0.59 0.00 0.41 0.51 0.00 0.00 175.35 176.01 2dgb n GLY 15 N 0.51 3.09 3.76 -3.33 0.00 -1.26 -5.05 105.19 102.91 2dgb n GLY 15 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2dgb n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dgb s ILE 16 N -2.95 3.24 0.43 -0.61 -1.09 -1.00 -4.98 121.20 114.23 2dgb s ILE 16 Ca 0.00 1.24 -0.26 0.00 -2.23 0.00 0.00 60.65 59.40 2dgb s ILE 16 Cb 0.00 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 2dgb s ILE 16 CO 0.00 0.29 1.38 -0.76 -1.23 0.00 0.00 174.94 174.62 2dgb s LEU 17 N -1.61 4.17 -0.54 2.97 1.43 -1.26 -4.96 118.68 118.88 2dgb s LEU 17 Ca 0.46 2.82 0.05 0.00 -1.03 0.00 0.00 54.13 56.44 2dgb s LEU 17 Cb -0.34 -3.90 0.18 0.00 0.03 0.00 0.00 46.19 42.16 2dgb s LEU 17 CO 0.44 -1.02 0.45 -0.67 0.23 0.00 0.00 176.35 175.78 2dgb n ASP 18 N -0.01 1.20 -0.26 2.29 -0.08 -1.26 -4.97 116.55 113.47 2dgb n ASP 18 Ca 0.04 -2.80 0.02 0.00 -1.51 0.00 0.00 54.79 50.54 2dgb n ASP 18 Cb 0.42 -0.65 0.14 0.00 2.34 0.00 0.00 41.12 43.38 2dgb n ASP 18 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2dgb h PRO 19 N 5.28 0.64 -0.28 -0.67 0.11 -1.98 -1.13 132.00 133.98 2dgb h PRO 19 Ca 0.20 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.29 2dgb h PRO 19 Cb 0.83 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 2dgb h PRO 19 CO 0.54 0.42 0.15 1.96 -0.21 0.00 0.00 178.00 180.86 2dgb h GLN 20 N 0.66 0.30 -0.41 1.05 4.20 -1.96 -1.23 115.11 117.71 2dgb h GLN 20 Ca 0.36 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.10 2dgb h GLN 20 Cb 0.35 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 2dgb h GLN 20 CO -0.26 0.20 0.13 0.78 -0.67 0.00 0.00 178.83 179.01 2dgb h GLY 21 N 0.31 0.52 0.78 3.46 0.00 -1.53 -0.69 103.07 105.93 2dgb h GLY 21 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.43 2dgb h GLY 21 CO -0.07 0.01 0.51 3.21 0.00 0.00 0.00 176.54 180.20 2dgb h ARG 22 N 0.28 0.94 -0.68 4.80 -0.00 -0.81 -1.16 114.38 117.74 2dgb h ARG 22 Ca 0.19 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.61 2dgb h ARG 22 Cb 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 29.97 29.92 2dgb h ARG 22 CO -0.21 0.62 0.38 0.00 0.00 0.00 0.00 179.97 180.76 2dgb h ALA 23 N 1.37 0.88 -0.59 0.04 0.00 -0.33 -2.54 119.26 118.09 2dgb h ALA 23 Ca 0.35 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2dgb h ALA 23 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2dgb h ALA 23 CO -0.15 0.38 0.15 0.28 0.00 0.00 0.00 179.25 179.91 2dgb h VAL 24 N 0.94 1.25 -0.68 0.00 2.07 -0.43 -2.34 116.25 117.06 2dgb h VAL 24 Ca 0.24 -0.90 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2dgb h VAL 24 Cb 0.03 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2dgb h VAL 24 CO -0.04 0.33 0.35 -0.33 0.02 0.00 0.00 177.57 177.90 2dgb h GLU 25 N 0.86 0.61 -0.27 1.57 5.08 -0.92 0.41 114.58 121.92 2dgb h GLU 25 Ca 0.19 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2dgb h GLU 25 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2dgb h GLU 25 CO 0.00 0.40 -0.06 0.78 -1.00 0.00 0.00 179.01 179.13 2dgb h GLY 26 N 0.63 0.56 0.98 -3.84 0.00 -1.24 -2.21 103.07 97.94 2dgb h GLY 26 Ca 0.32 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2dgb h GLY 26 CO -0.22 0.42 0.24 -2.08 0.00 0.00 0.00 176.54 174.90 2dgb h VAL 27 N 0.27 1.20 -0.98 4.60 2.07 -1.13 -1.13 116.25 121.16 2dgb h VAL 27 Ca 0.07 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.08 2dgb h VAL 27 Cb 0.54 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 2dgb h VAL 27 CO 0.03 0.23 0.62 -0.07 0.02 0.00 0.00 177.57 178.40 2dgb h LEU 28 N 0.71 0.97 -0.16 2.57 3.38 -0.85 0.75 115.31 122.68 2dgb h LEU 28 Ca 0.18 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2dgb h LEU 28 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2dgb h LEU 28 CO -0.02 0.58 0.09 0.50 0.09 0.00 0.00 178.44 179.68 2dgb h LYS 29 N 1.08 0.23 -0.04 1.13 3.64 -0.79 0.02 116.57 121.84 2dgb h LYS 29 Ca 0.45 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.81 2dgb h LYS 29 Cb 0.28 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2dgb h LYS 29 CO -0.21 0.23 0.04 -0.44 -2.27 0.00 0.00 179.45 176.80 2dgb h ASP 30 N 0.17 0.00 -0.15 4.20 3.32 0.11 -0.77 116.42 123.30 2dgb h ASP 30 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2dgb h ASP 30 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2dgb h ASP 30 CO -0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 2dgb n LEU 31 N -4.10 1.32 0.00 1.55 4.77 0.10 -4.90 117.00 115.74 2dgb n LEU 31 Ca -0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2dgb n LEU 31 Cb 0.13 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2dgb n LEU 31 CO 0.30 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2dgb n GLY 32 N 1.04 0.40 2.39 -0.72 0.00 -0.29 -4.98 105.19 103.03 2dgb n GLY 32 Ca 0.15 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 2dgb n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dgb n HIS 33 N -3.18 1.29 -1.78 1.61 8.25 -0.10 -5.02 115.22 116.28 2dgb n HIS 33 Ca 0.00 -3.85 -0.41 0.00 -0.26 0.00 0.00 57.72 53.20 2dgb n HIS 33 Cb 0.11 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.78 2dgb n HIS 33 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dgb s PRO 34 N -2.54 4.01 0.30 -0.41 0.04 -1.25 -4.13 135.00 131.01 2dgb s PRO 34 Ca 0.42 2.57 0.03 0.00 0.04 0.00 0.00 61.00 64.05 2dgb s PRO 34 Cb 0.30 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2dgb s PRO 34 CO -0.10 -0.61 0.09 0.14 0.04 0.00 0.00 177.00 176.56 2dgb s VAL 35 N -1.14 0.75 -0.05 -0.36 -7.23 -1.26 -4.97 120.40 106.14 2dgb s VAL 35 Ca 0.55 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.58 2dgb s VAL 35 Cb -0.46 -2.65 -0.31 0.00 0.56 0.00 0.00 36.38 33.52 2dgb s VAL 35 CO 0.62 0.00 0.70 -0.08 -0.31 0.00 0.00 175.10 176.03 2dgb h GLU 36 N 2.22 0.38 -1.96 4.82 4.81 -1.98 -3.49 114.58 119.39 2dgb h GLU 36 Ca -0.38 -0.65 -0.04 0.00 -0.13 0.00 0.00 59.36 58.15 2dgb h GLU 36 Cb 1.25 0.24 -0.20 0.00 0.63 0.00 0.00 28.75 30.68 2dgb h GLU 36 CO 0.63 1.31 0.22 -2.00 -0.73 0.00 0.00 179.01 178.44 2dgb s GLU 37 N -2.55 1.00 -0.06 1.92 2.12 -1.26 -5.13 118.70 114.73 2dgb s GLU 37 Ca -0.16 0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2dgb s GLU 37 Cb 0.05 0.47 0.02 0.00 0.26 0.00 0.00 34.13 34.93 2dgb s GLU 37 CO 0.85 -0.30 -0.07 0.08 -0.54 0.00 0.00 175.26 175.28 2dgb s VAL 38 N -1.06 0.77 -0.20 3.70 1.01 -1.26 -5.04 120.40 118.32 2dgb s VAL 38 Ca -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2dgb s VAL 38 Cb -0.00 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.62 2dgb s VAL 38 CO 0.08 0.29 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 2dgb s ARG 39 N 1.07 2.94 -0.18 2.72 0.52 -1.26 -4.41 118.95 120.35 2dgb s ARG 39 Ca -0.08 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.11 2dgb s ARG 39 Cb -0.14 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 2dgb s ARG 39 CO -0.01 -0.28 0.33 0.08 0.02 0.00 0.00 175.30 175.45 2dgb s VAL 40 N 1.30 5.26 0.00 3.52 1.01 -1.26 -5.00 120.40 125.24 2dgb s VAL 40 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2dgb s VAL 40 Cb -0.14 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2dgb s VAL 40 CO -0.09 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2dgb n GLY 41 N 3.67 4.60 3.28 4.51 0.00 -1.26 -4.54 105.19 115.45 2dgb n GLY 41 Ca -0.11 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 2dgb n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dgb s LYS 42 N -1.20 2.03 -0.13 1.61 1.02 0.12 -4.99 119.74 118.20 2dgb s LYS 42 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2dgb s LYS 42 Cb 0.00 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.38 2dgb s LYS 42 CO 0.00 0.50 -0.17 0.54 -0.92 0.00 0.00 175.35 175.30 2dgb s VAL 43 N -0.51 2.63 -0.12 3.17 0.11 -1.26 -0.23 120.40 124.18 2dgb s VAL 43 Ca 0.08 -0.80 0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2dgb s VAL 43 Cb -0.10 -2.08 -0.00 0.00 -1.53 0.00 0.00 36.38 32.67 2dgb s VAL 43 CO -0.00 0.53 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.33 2dgb s LEU 44 N 0.53 2.27 -0.38 2.54 1.02 0.37 -4.97 118.68 120.06 2dgb s LEU 44 Ca -0.11 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.43 2dgb s LEU 44 Cb -0.16 -1.47 0.04 0.00 0.02 0.00 0.00 46.19 44.61 2dgb s LEU 44 CO 0.04 0.14 0.22 -1.61 0.02 0.00 0.00 176.35 175.16 2dgb s GLU 45 N 0.45 2.79 -0.19 1.70 0.41 -1.26 -0.59 118.70 122.03 2dgb s GLU 45 Ca -0.14 -1.14 -0.03 0.00 -0.41 0.00 0.00 54.97 53.25 2dgb s GLU 45 Cb -0.17 -3.75 -0.01 0.00 -1.78 0.00 0.00 34.13 28.42 2dgb s GLU 45 CO 0.06 -0.74 -0.07 0.42 -0.49 0.00 0.00 175.26 174.44 2dgb s ILE 46 N 1.54 3.35 -0.21 -1.63 1.01 0.69 -4.92 121.20 121.04 2dgb s ILE 46 Ca 0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 2dgb s ILE 46 Cb -0.20 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2dgb s ILE 46 CO 0.06 0.46 0.09 -0.69 0.00 0.00 0.00 174.94 174.86 2dgb s VAL 47 N 1.02 4.90 0.16 2.92 1.01 -1.26 0.17 120.40 129.34 2dgb s VAL 47 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 2dgb s VAL 47 Cb -0.15 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2dgb s VAL 47 CO -0.00 0.42 0.55 0.72 0.00 0.00 0.00 175.10 176.78 2dgb s PHE 48 N 0.70 -0.38 0.31 5.22 -0.12 -0.34 -4.98 117.98 118.39 2dgb s PHE 48 Ca 0.05 0.11 -0.15 0.00 -0.05 0.00 0.00 56.93 56.89 2dgb s PHE 48 Cb -0.13 0.47 -0.09 0.00 -0.63 0.00 0.00 43.02 42.64 2dgb s PHE 48 CO 0.02 -0.84 0.71 -1.25 -0.05 0.00 0.00 175.22 173.81 2dgb s PRO 49 N -3.79 3.99 -0.03 1.99 0.04 -1.26 -1.43 135.00 134.51 2dgb s PRO 49 Ca 0.03 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 2dgb s PRO 49 Cb -0.01 -2.48 0.07 0.00 0.04 0.00 0.00 34.50 32.12 2dgb s PRO 49 CO -0.10 0.19 0.65 0.00 0.04 0.00 0.00 177.00 177.78 2dgb s ALA 50 N -1.94 -1.70 0.30 8.56 0.00 -0.82 -4.96 121.76 121.21 2dgb s ALA 50 Ca 0.53 1.21 0.10 0.00 0.00 0.00 0.00 51.96 53.80 2dgb s ALA 50 Cb -0.11 0.06 0.47 0.00 0.00 0.00 0.00 23.12 23.55 2dgb s ALA 50 CO 0.18 -0.39 1.69 1.49 0.00 0.00 0.00 175.76 178.73 2dgb h GLU 51 N 2.98 0.04 -3.04 0.00 4.81 -1.94 0.39 114.58 117.82 2dgb h GLU 51 Ca -0.28 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.98 2dgb h GLU 51 Cb 1.15 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 2dgb h GLU 51 CO 0.39 0.55 0.21 0.54 -0.73 0.00 0.00 179.01 179.97 2dgb s ASN 52 N -6.88 -0.21 0.24 1.04 2.20 -1.26 -4.42 114.94 105.65 2dgb s ASN 52 Ca -0.02 -0.70 -0.05 0.00 -0.94 0.00 0.00 52.86 51.15 2dgb s ASN 52 Cb 0.13 0.74 0.34 0.00 -2.00 0.00 0.00 41.25 40.46 2dgb s ASN 52 CO 0.75 -1.38 1.84 0.25 -2.94 0.00 0.00 177.10 175.62 2dgb h LEU 53 N 2.01 0.77 -0.72 3.54 7.12 -1.99 -0.77 115.31 125.28 2dgb h LEU 53 Ca -0.21 0.03 -0.09 0.00 0.13 0.00 0.00 57.88 57.74 2dgb h LEU 53 Cb 1.25 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 41.22 2dgb h LEU 53 CO 0.26 0.48 0.03 -0.07 -0.13 0.00 0.00 178.44 179.01 2dgb h LEU 54 N 0.90 0.98 -0.70 2.25 3.38 -1.99 -1.42 115.31 118.71 2dgb h LEU 54 Ca 0.38 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2dgb h LEU 54 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dgb h LEU 54 CO -0.19 1.02 -0.33 -0.08 0.09 0.00 0.00 178.44 178.94 2dgb h GLU 55 N 0.93 0.63 -0.36 1.13 4.81 -1.82 -2.01 114.58 117.89 2dgb h GLU 55 Ca 0.17 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2dgb h GLU 55 Cb 0.50 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2dgb h GLU 55 CO 0.02 0.88 0.19 0.00 -0.73 0.00 0.00 179.01 179.37 2dgb h ALA 56 N 1.10 0.46 -0.82 2.92 0.00 -0.80 0.41 119.26 122.53 2dgb h ALA 56 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2dgb h ALA 56 Cb 0.83 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2dgb h ALA 56 CO 0.07 -0.01 0.54 1.49 0.00 0.00 0.00 179.25 181.34 2dgb h GLU 57 N 0.45 1.07 0.22 0.00 4.81 -1.12 0.25 114.58 120.26 2dgb h GLU 57 Ca 0.12 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2dgb h GLU 57 Cb 0.07 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.21 2dgb h GLU 57 CO -0.02 0.71 -0.11 1.49 -0.73 0.00 0.00 179.01 180.35 2dgb h GLU 58 N 1.11 -0.29 -0.33 1.92 4.81 -0.85 -2.30 114.58 118.66 2dgb h GLU 58 Ca 0.30 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 2dgb h GLU 58 Cb -0.12 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2dgb h GLU 58 CO -0.07 -0.16 -0.08 0.87 -0.73 0.00 0.00 179.01 178.85 2dgb h LYS 59 N -0.35 0.54 -0.23 1.92 1.57 -0.66 -1.95 116.57 117.41 2dgb h LYS 59 Ca -0.03 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2dgb h LYS 59 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2dgb h LYS 59 CO 0.05 0.62 0.10 0.00 -0.57 0.00 0.00 179.45 179.66 2dgb h ALA 60 N 1.42 0.30 -0.38 3.86 0.00 -0.38 -2.86 119.26 121.21 2dgb h ALA 60 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2dgb h ALA 60 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2dgb h ALA 60 CO 0.02 -0.13 -0.13 0.87 0.00 0.00 0.00 179.25 179.89 2dgb h LYS 61 N 0.23 0.68 -0.61 0.00 1.57 -1.26 -1.27 116.57 115.92 2dgb h LYS 61 Ca 0.08 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2dgb h LYS 61 Cb 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2dgb h LYS 61 CO -0.01 0.79 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 2dgb n ALA 62 N -2.48 1.34 0.00 3.86 0.00 -0.75 -1.41 120.51 121.07 2dgb n ALA 62 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2dgb n ALA 62 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2dgb n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dgb n GLY 64 N 0.56 0.00 0.24 0.00 0.00 -0.48 -1.51 105.19 104.01 2dgb n GLY 64 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2dgb n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgb h ALA 65 N 0.00 0.92 -0.31 4.61 0.00 -1.51 -1.52 119.26 121.45 2dgb h ALA 65 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2dgb h ALA 65 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2dgb h ALA 65 CO 0.00 0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 2dgb h LEU 66 N 0.52 0.63 -0.06 0.00 3.38 -1.53 -3.32 115.31 114.93 2dgb h LEU 66 Ca 0.06 -0.38 -0.23 0.00 0.09 0.00 0.00 57.88 57.42 2dgb h LEU 66 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2dgb h LEU 66 CO 0.06 0.86 -1.05 -0.07 0.09 0.00 0.00 178.44 178.33 2dgb h LEU 67 N 0.39 0.33 -9.83 1.67 3.38 -1.83 -3.46 115.31 105.96 2dgb h LEU 67 Ca 0.08 -0.31 -0.51 0.00 0.09 0.00 0.00 57.88 57.22 2dgb h LEU 67 Cb 0.60 -0.11 0.04 0.00 0.09 0.00 0.00 40.66 41.28 2dgb h LEU 67 CO 0.04 1.18 0.55 0.00 0.09 0.00 0.00 178.44 180.30 2dgb s ALA 68 N -2.92 3.45 -0.32 1.53 0.00 -0.58 -4.94 121.76 117.97 2dgb s ALA 68 Ca -0.03 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 2dgb s ALA 68 Cb 0.09 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2dgb s ALA 68 CO 0.86 -0.37 1.67 1.21 0.00 0.00 0.00 175.76 179.12 2dgb s ASN 69 N -0.67 6.11 0.53 0.00 3.04 -1.26 -4.86 114.94 117.84 2dgb s ASN 69 Ca 0.47 1.28 0.33 0.00 0.04 0.00 0.00 52.86 54.98 2dgb s ASN 69 Cb -0.35 -2.53 1.50 0.00 -1.54 0.00 0.00 41.25 38.32 2dgb s ASN 69 CO 0.46 -1.53 1.85 1.55 -3.04 0.00 0.00 177.10 176.39 2dgb h PRO 70 N 11.85 0.02 -0.47 0.43 0.13 -1.92 0.10 132.00 142.14 2dgb h PRO 70 Ca -0.32 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dgb h PRO 70 Cb 1.15 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2dgb h PRO 70 CO 1.03 0.01 0.00 0.28 -0.23 0.00 0.00 178.00 179.10 2dgb n VAL 71 N -4.25 0.63 0.00 1.56 0.31 -1.26 -5.00 118.33 110.32 2dgb n VAL 71 Ca 0.22 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2dgb n VAL 71 Cb 1.07 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 2dgb n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dgb n GLU 73 N 1.03 0.00 -4.16 5.55 1.02 0.35 -4.92 120.64 119.50 2dgb n GLU 73 Ca 0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2dgb n GLU 73 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.77 2dgb n GLU 73 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2dgb s VAL 74 N 0.00 0.73 0.12 2.62 -7.23 0.40 -4.64 120.40 112.40 2dgb s VAL 74 Ca 0.00 -1.83 0.05 0.00 -1.81 0.00 0.00 61.98 58.39 2dgb s VAL 74 Cb 0.00 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2dgb s VAL 74 CO 0.00 -0.79 -0.13 -0.72 -0.31 0.00 0.00 175.10 173.16 2dgb s TYR 75 N -3.27 1.30 -0.02 2.82 -0.85 -1.26 -0.92 117.35 115.16 2dgb s TYR 75 Ca 0.09 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 56.03 2dgb s TYR 75 Cb 0.03 -0.68 0.01 0.00 0.38 0.00 0.00 41.96 41.69 2dgb s TYR 75 CO -0.03 0.10 0.05 0.00 -1.52 0.00 0.00 175.55 174.15 2dgb s ALA 76 N -2.30 -0.13 -0.53 9.51 0.00 -0.17 -4.96 121.76 123.18 2dgb s ALA 76 Ca 0.08 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 2dgb s ALA 76 Cb -0.04 -0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.07 2dgb s ALA 76 CO 0.02 -0.03 0.59 -1.17 0.00 0.00 0.00 175.76 175.18 2dgb s LEU 77 N 0.04 5.35 0.00 0.00 2.96 -1.26 -1.13 118.68 124.64 2dgb s LEU 77 Ca -0.00 -1.24 0.24 0.00 -0.22 0.00 0.00 54.13 52.91 2dgb s LEU 77 Cb -0.01 -2.33 0.25 0.00 0.50 0.00 0.00 46.19 44.61 2dgb s LEU 77 CO 0.00 -0.91 1.24 -1.84 -1.32 0.00 0.00 176.35 173.53 2dgb n GLU 78 N 5.94 0.74 -3.61 1.98 -0.00 -0.77 -4.95 120.64 119.96 2dgb n GLU 78 Ca -0.09 -0.55 -0.10 0.00 -0.00 0.00 0.00 57.16 56.42 2dgb n GLU 78 Cb 0.44 -1.49 -0.06 0.00 -0.00 0.00 0.00 31.44 30.32 2dgb n GLU 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dgb s ALA 79 N -2.64 -1.94 -0.20 -1.84 0.00 -1.21 -4.99 121.76 108.95 2dgb s ALA 79 Ca 0.18 1.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.79 2dgb s ALA 79 Cb 0.18 -1.10 0.06 0.00 0.00 0.00 0.00 23.12 22.26 2dgb s ALA 79 CO 0.62 -0.27 0.47 -1.17 0.00 0.00 0.00 175.76 175.41 2dgb s LEU 80 N -0.28 -0.30 0.02 0.00 2.96 -1.26 -0.54 118.68 119.28 2dgb s LEU 80 Ca 0.01 1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.79 2dgb s LEU 80 Cb -0.03 1.58 0.03 0.00 0.50 0.00 0.00 46.19 48.27 2dgb s LEU 80 CO -0.02 -0.20 0.36 -1.59 -1.32 0.00 0.00 176.35 173.57 2dgb s LYS 81 N 1.48 0.80 0.38 1.98 -2.85 -0.93 -5.00 119.74 115.61 2dgb s LYS 81 Ca -0.10 -0.31 -0.23 0.00 -1.00 0.00 0.00 55.97 54.33 2dgb s LYS 81 Cb -0.08 0.36 -0.10 0.00 -2.06 0.00 0.00 37.83 35.94 2dgb s LYS 81 CO -0.14 -0.25 0.94 -2.00 0.10 0.00 0.00 175.35 173.99 2dgb s GLU 82 N -2.02 4.36 0.38 1.78 2.12 -1.26 -0.87 118.70 123.19 2dgb s GLU 82 Ca -0.08 1.18 0.08 0.00 0.36 0.00 0.00 54.97 56.50 2dgb s GLU 82 Cb -0.02 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.90 2dgb s GLU 82 CO 0.00 0.10 0.21 -0.51 -0.54 0.00 0.00 175.26 174.52 2dgb s LEU 83 N -2.73 3.25 0.00 2.70 1.43 0.17 -4.87 118.68 118.63 2dgb s LEU 83 Ca 0.57 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2dgb s LEU 83 Cb -0.13 -1.72 0.12 0.00 0.03 0.00 0.00 46.19 44.49 2dgb s LEU 83 CO 0.17 -0.45 0.60 -2.65 0.23 0.00 0.00 176.35 174.26