#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 3.05 0.13 0.54 0.52 -1.26 -2.05 118.95 119.87 2dgb s ARG 3 Ca 0.00 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 2dgb s ARG 3 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2dgb s ARG 3 CO 0.00 0.71 -0.14 0.71 0.02 0.00 0.00 175.30 176.60 2dgb s TYR 4 N -0.92 1.42 -0.13 -0.53 2.02 0.23 0.39 117.35 119.83 2dgb s TYR 4 Ca 0.14 -0.56 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2dgb s TYR 4 Cb -0.11 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2dgb s TYR 4 CO 0.03 0.16 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.88 2dgb s GLN 5 N -2.75 2.30 -0.10 -0.62 0.74 -0.36 -1.01 119.66 117.86 2dgb s GLN 5 Ca 0.10 -0.57 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 2dgb s GLN 5 Cb -0.04 -2.03 -0.03 0.00 1.10 0.00 0.00 33.01 32.00 2dgb s GLN 5 CO 0.03 -0.16 -0.00 0.00 -0.55 0.00 0.00 175.29 174.61 2dgb s ALA 6 N 1.25 3.24 -0.33 1.58 0.00 0.51 -1.96 121.76 126.05 2dgb s ALA 6 Ca -0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 2dgb s ALA 6 Cb -0.14 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.51 2dgb s ALA 6 CO -0.07 0.50 0.09 0.99 0.00 0.00 0.00 175.76 177.27 2dgb s THR 7 N -0.58 3.56 -0.09 0.00 2.01 0.29 -0.98 115.64 119.85 2dgb s THR 7 Ca 0.10 -1.25 -0.00 0.00 0.31 0.00 0.00 61.69 60.85 2dgb s THR 7 Cb -0.12 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 2dgb s THR 7 CO 0.02 -0.19 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.93 2dgb s LEU 8 N 1.35 3.17 -0.19 4.42 1.43 -0.66 -0.47 118.68 127.72 2dgb s LEU 8 Ca -0.02 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2dgb s LEU 8 Cb -0.20 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2dgb s LEU 8 CO 0.01 0.32 -0.07 -0.76 0.23 0.00 0.00 176.35 176.08 2dgb s LEU 9 N -0.54 2.83 -0.36 1.79 1.43 -0.03 -0.66 118.68 123.14 2dgb s LEU 9 Ca 0.08 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2dgb s LEU 9 Cb -0.12 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.46 2dgb s LEU 9 CO 0.02 0.03 0.14 -0.63 0.23 0.00 0.00 176.35 176.14 2dgb s ILE 10 N 1.14 3.79 0.29 -0.59 -1.09 0.12 -1.17 121.20 123.69 2dgb s ILE 10 Ca 0.01 -1.26 0.11 0.00 -2.23 0.00 0.00 60.65 57.28 2dgb s ILE 10 Cb -0.14 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 2dgb s ILE 10 CO -0.02 -0.27 -0.13 -1.61 -1.23 0.00 0.00 174.94 171.68 2dgb s GLU 11 N 1.38 1.85 0.09 2.79 2.02 -0.67 -0.27 118.70 125.90 2dgb s GLU 11 Ca -0.00 -1.71 -0.29 0.00 0.02 0.00 0.00 54.97 52.99 2dgb s GLU 11 Cb -0.20 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.11 2dgb s GLU 11 CO 0.02 0.31 0.92 -0.51 0.02 0.00 0.00 175.26 176.02 2dgb s LEU 12 N -3.57 4.48 0.73 1.80 1.43 -1.26 -1.64 118.68 120.65 2dgb s LEU 12 Ca 0.31 1.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 2dgb s LEU 12 Cb -0.04 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2dgb s LEU 12 CO 0.16 -0.07 1.13 -0.54 0.23 0.00 0.00 176.35 177.27 2dgb s LYS 13 N 0.08 2.34 0.35 1.70 1.02 -1.26 -4.92 119.74 119.05 2dgb s LYS 13 Ca 0.46 1.42 -0.28 0.00 0.02 0.00 0.00 55.97 57.59 2dgb s LYS 13 Cb -0.23 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.07 2dgb s LYS 13 CO 0.28 -1.61 1.32 1.17 -0.92 0.00 0.00 175.35 175.59 2dgb n LYS 14 N -2.95 2.20 0.00 1.68 3.00 -1.26 -2.06 118.16 118.77 2dgb n LYS 14 Ca 0.11 0.77 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 2dgb n LYS 14 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 35.03 33.16 2dgb n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dgb n GLY 15 N 0.72 3.11 3.72 3.14 0.00 -1.26 -5.00 105.19 109.61 2dgb n GLY 15 Ca 0.04 0.00 -0.42 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 -1.73 4.24 0.43 -0.61 -1.09 -0.88 -4.98 121.20 116.59 2dgb s ILE 16 Ca 0.00 1.66 -0.25 0.00 -2.23 0.00 0.00 60.65 59.82 2dgb s ILE 16 Cb 0.00 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.74 2dgb s ILE 16 CO 0.00 0.16 1.35 -0.76 -1.23 0.00 0.00 174.94 174.46 2dgb s LEU 17 N 0.80 4.15 -0.53 2.97 2.01 -1.26 -4.89 118.68 121.93 2dgb s LEU 17 Ca 0.55 2.75 0.06 0.00 0.01 0.00 0.00 54.13 57.50 2dgb s LEU 17 Cb -0.27 -3.95 0.21 0.00 0.01 0.00 0.00 46.19 42.20 2dgb s LEU 17 CO 0.30 -1.02 0.53 -0.67 1.01 0.00 0.00 176.35 176.49 2dgb n ASP 18 N -0.08 1.50 -0.07 2.29 2.03 -1.26 -4.96 116.55 115.99 2dgb n ASP 18 Ca 0.05 -2.91 0.14 0.00 0.52 0.00 0.00 54.79 52.59 2dgb n ASP 18 Cb 0.43 -0.65 0.54 0.00 -0.72 0.00 0.00 41.12 40.72 2dgb n ASP 18 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dgb h PRO 19 N 4.76 0.31 -0.48 -0.67 0.13 -1.98 -0.54 132.00 133.53 2dgb h PRO 19 Ca 0.17 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.19 2dgb h PRO 19 Cb 0.81 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2dgb h PRO 19 CO 0.59 0.21 -0.04 1.96 -0.23 0.00 0.00 178.00 180.48 2dgb h GLN 20 N 0.32 0.87 -0.29 0.86 4.20 -1.96 -2.33 115.11 116.79 2dgb h GLN 20 Ca 0.28 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2dgb h GLN 20 Cb 0.68 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2dgb h GLN 20 CO -0.07 0.93 -0.03 0.78 -0.67 0.00 0.00 178.83 179.77 2dgb h GLY 21 N 0.72 0.57 1.00 3.46 0.00 -1.45 -2.21 103.07 105.17 2dgb h GLY 21 Ca 0.13 -0.44 0.10 0.00 0.00 0.00 0.00 47.33 47.12 2dgb h GLY 21 CO 0.03 0.41 0.42 3.21 0.00 0.00 0.00 176.54 180.61 2dgb h ARG 22 N 0.31 0.44 -0.16 4.80 2.47 -1.06 -1.19 114.38 119.98 2dgb h ARG 22 Ca 0.08 -0.03 -0.16 0.00 -1.26 0.00 0.00 59.98 58.61 2dgb h ARG 22 Cb 0.48 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2dgb h ARG 22 CO 0.02 0.29 -0.53 0.00 0.56 0.00 0.00 179.97 180.31 2dgb h ALA 23 N 1.68 0.28 -0.78 0.04 0.00 -1.18 -2.85 119.26 116.45 2dgb h ALA 23 Ca 0.29 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2dgb h ALA 23 Cb 0.54 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2dgb h ALA 23 CO -0.09 0.48 0.46 0.28 0.00 0.00 0.00 179.25 180.38 2dgb h VAL 24 N 0.31 1.22 -0.43 0.00 2.07 -0.69 -1.22 116.25 117.52 2dgb h VAL 24 Ca -0.02 -0.50 0.06 0.00 0.82 0.00 0.00 66.70 67.06 2dgb h VAL 24 Cb 1.15 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2dgb h VAL 24 CO 0.11 0.23 0.14 -0.33 0.02 0.00 0.00 177.57 177.74 2dgb h GLU 25 N 1.08 0.28 -0.64 1.57 5.08 -1.17 0.45 114.58 121.22 2dgb h GLU 25 Ca 0.28 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 2dgb h GLU 25 Cb -0.03 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 2dgb h GLU 25 CO -0.05 0.19 0.41 0.78 -1.00 0.00 0.00 179.01 179.33 2dgb h GLY 26 N 0.29 0.92 0.99 -3.84 0.00 -1.05 0.10 103.07 100.48 2dgb h GLY 26 Ca 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2dgb h GLY 26 CO -0.22 0.28 0.08 -2.08 0.00 0.00 0.00 176.54 174.59 2dgb h VAL 27 N 0.81 1.04 -0.51 4.60 2.07 -0.32 -0.07 116.25 123.86 2dgb h VAL 27 Ca 0.25 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 2dgb h VAL 27 Cb -0.02 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2dgb h VAL 27 CO -0.09 0.03 0.08 -0.07 0.02 0.00 0.00 177.57 177.55 2dgb h LEU 28 N 0.15 0.81 -1.32 2.57 3.38 -0.68 -2.39 115.31 117.83 2dgb h LEU 28 Ca 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2dgb h LEU 28 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2dgb h LEU 28 CO -0.01 0.87 0.41 0.11 0.09 0.00 0.00 178.44 179.91 2dgb h LYS 29 N 0.73 0.87 0.00 1.13 1.57 -0.58 0.81 116.57 121.10 2dgb h LYS 29 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dgb h LYS 29 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2dgb h LYS 29 CO 0.01 0.59 0.00 -0.44 -0.57 0.00 0.00 179.45 179.04 2dgb h ASP 30 N 0.89 0.00 -0.91 0.86 3.32 -0.65 -2.99 116.42 116.94 2dgb h ASP 30 Ca 0.24 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.83 2dgb h ASP 30 Cb -0.07 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.21 2dgb h ASP 30 CO -0.05 0.00 0.55 0.18 -1.72 0.00 0.00 179.24 178.20 2dgb n LEU 31 N -3.04 6.42 -1.34 1.55 4.77 0.18 -4.91 117.00 120.62 2dgb n LEU 31 Ca 0.01 -3.59 -0.17 0.00 -0.03 0.00 0.00 56.01 52.22 2dgb n LEU 31 Cb 0.30 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 2dgb n LEU 31 CO 0.27 1.05 -0.17 0.61 -1.33 0.00 0.00 177.39 177.82 2dgb n GLY 32 N -1.06 1.70 3.12 -0.72 0.00 -1.13 -4.95 105.19 102.16 2dgb n GLY 32 Ca 0.55 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 2dgb n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dgb s HIS 33 N -2.56 3.45 0.11 1.61 4.02 -0.59 -5.03 115.29 116.29 2dgb s HIS 33 Ca 0.00 -2.62 -0.34 0.00 1.02 0.00 0.00 55.06 53.12 2dgb s HIS 33 Cb 0.00 -3.27 -0.13 0.00 -1.02 0.00 0.00 32.58 28.16 2dgb s HIS 33 CO 0.00 -0.86 1.64 -2.30 1.02 0.00 0.00 174.74 174.24 2dgb n PRO 34 N 3.60 2.14 -4.13 8.40 -0.02 -1.26 -3.76 135.00 139.97 2dgb n PRO 34 Ca 0.08 0.78 -0.16 0.00 -2.02 0.00 0.00 63.50 62.17 2dgb n PRO 34 Cb 0.39 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 2dgb n PRO 34 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2dgb s VAL 35 N 1.60 0.38 -0.01 -1.45 -7.23 -1.26 -5.03 120.40 107.39 2dgb s VAL 35 Ca 0.82 -0.18 -0.16 0.00 -1.81 0.00 0.00 61.98 60.65 2dgb s VAL 35 Cb -0.68 -0.34 -0.33 0.00 0.56 0.00 0.00 36.38 35.58 2dgb s VAL 35 CO 0.41 0.12 0.87 -0.08 -0.31 0.00 0.00 175.10 176.11 2dgb h GLU 36 N 6.21 0.44 -2.08 4.82 4.81 -2.00 -3.48 114.58 123.30 2dgb h GLU 36 Ca -0.30 -0.75 -0.04 0.00 -0.13 0.00 0.00 59.36 58.13 2dgb h GLU 36 Cb 1.18 0.28 -0.18 0.00 0.63 0.00 0.00 28.75 30.66 2dgb h GLU 36 CO 0.50 1.36 0.22 -2.00 -0.73 0.00 0.00 179.01 178.36 2dgb s GLU 37 N -2.55 1.05 -0.10 1.92 2.12 -1.26 -5.14 118.70 114.74 2dgb s GLU 37 Ca -0.12 0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 2dgb s GLU 37 Cb 0.04 0.49 0.04 0.00 0.26 0.00 0.00 34.13 34.96 2dgb s GLU 37 CO 0.89 -0.34 0.04 0.08 -0.54 0.00 0.00 175.26 175.39 2dgb s VAL 38 N -1.47 0.14 -0.22 3.70 1.01 -1.26 -5.05 120.40 117.25 2dgb s VAL 38 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 2dgb s VAL 38 Cb -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2dgb s VAL 38 CO 0.07 0.05 -0.02 -0.13 0.00 0.00 0.00 175.10 175.06 2dgb s ARG 39 N 2.05 3.45 -0.21 2.72 1.81 -1.26 -4.29 118.95 123.22 2dgb s ARG 39 Ca 0.03 -0.59 -0.14 0.00 -1.72 0.00 0.00 55.73 53.31 2dgb s ARG 39 Cb -0.14 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 2dgb s ARG 39 CO -0.06 -0.15 0.33 0.08 -0.68 0.00 0.00 175.30 174.82 2dgb s VAL 40 N 1.39 5.24 0.17 3.52 1.01 -1.26 -4.99 120.40 125.47 2dgb s VAL 40 Ca 0.05 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2dgb s VAL 40 Cb -0.14 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2dgb s VAL 40 CO -0.01 0.28 0.04 0.61 0.00 0.00 0.00 175.10 176.02 2dgb n GLY 41 N 4.05 3.82 3.59 4.51 0.00 -1.26 -4.63 105.19 115.27 2dgb n GLY 41 Ca -0.10 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.63 2.67 -0.09 1.61 1.02 0.63 -4.95 119.74 118.00 2dgb s LYS 42 Ca 0.06 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.46 2dgb s LYS 42 Cb 0.00 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2dgb s LYS 42 CO 0.04 0.64 -0.21 0.54 -0.92 0.00 0.00 175.35 175.44 2dgb s VAL 43 N -0.90 1.81 -0.17 3.17 0.11 -1.26 0.14 120.40 123.30 2dgb s VAL 43 Ca 0.15 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 2dgb s VAL 43 Cb -0.11 -1.58 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2dgb s VAL 43 CO 0.04 0.50 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.36 2dgb s LEU 44 N 0.48 2.07 -0.46 2.54 1.02 0.17 -4.96 118.68 119.53 2dgb s LEU 44 Ca -0.17 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.18 2dgb s LEU 44 Cb -0.17 -1.43 0.04 0.00 0.02 0.00 0.00 46.19 44.65 2dgb s LEU 44 CO 0.07 0.01 0.56 -1.61 0.02 0.00 0.00 176.35 175.40 2dgb s GLU 45 N 1.19 3.14 -0.19 1.70 0.41 -1.26 -1.66 118.70 122.03 2dgb s GLU 45 Ca 0.02 -0.75 -0.03 0.00 -0.41 0.00 0.00 54.97 53.80 2dgb s GLU 45 Cb -0.14 -4.03 -0.01 0.00 -1.78 0.00 0.00 34.13 28.18 2dgb s GLU 45 CO -0.10 -1.06 -0.07 0.42 -0.49 0.00 0.00 175.26 173.97 2dgb s ILE 46 N 2.48 3.31 -0.21 -1.63 1.01 -0.16 -4.94 121.20 121.06 2dgb s ILE 46 Ca 0.15 -0.53 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 2dgb s ILE 46 Cb -0.18 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 2dgb s ILE 46 CO 0.14 0.46 0.07 -0.69 0.00 0.00 0.00 174.94 174.92 2dgb s VAL 47 N 1.12 4.69 0.14 2.92 1.01 -1.26 -0.36 120.40 128.66 2dgb s VAL 47 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2dgb s VAL 47 Cb -0.15 -3.14 0.05 0.00 0.00 0.00 0.00 36.38 33.14 2dgb s VAL 47 CO -0.01 0.41 0.48 0.72 0.00 0.00 0.00 175.10 176.69 2dgb s PHE 48 N 0.81 -0.31 0.37 5.22 -0.12 -0.18 -4.99 117.98 118.79 2dgb s PHE 48 Ca 0.04 0.03 -0.05 0.00 -0.05 0.00 0.00 56.93 56.89 2dgb s PHE 48 Cb -0.13 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2dgb s PHE 48 CO 0.02 -0.77 0.65 -1.25 -0.05 0.00 0.00 175.22 173.83 2dgb s PRO 49 N -3.79 3.62 -0.11 1.99 0.04 -1.26 -0.60 135.00 134.89 2dgb s PRO 49 Ca 0.03 0.11 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 2dgb s PRO 49 Cb 0.01 -2.53 0.08 0.00 0.04 0.00 0.00 34.50 32.10 2dgb s PRO 49 CO -0.12 0.05 0.77 0.00 0.04 0.00 0.00 177.00 177.74 2dgb s ALA 50 N -2.33 -1.81 0.23 8.56 0.00 -0.87 -4.92 121.76 120.62 2dgb s ALA 50 Ca 0.46 1.50 -0.07 0.00 0.00 0.00 0.00 51.96 53.84 2dgb s ALA 50 Cb -0.10 -0.37 0.21 0.00 0.00 0.00 0.00 23.12 22.86 2dgb s ALA 50 CO 0.34 -0.35 1.87 0.93 0.00 0.00 0.00 175.76 178.56 2dgb h GLU 51 N 3.24 1.24 -3.27 0.00 4.39 -1.94 -2.68 114.58 115.56 2dgb h GLU 51 Ca -0.26 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.25 2dgb h GLU 51 Cb 1.15 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 2dgb h GLU 51 CO 0.31 0.88 0.15 0.54 -1.16 0.00 0.00 179.01 179.74 2dgb s ASN 52 N -6.17 0.19 0.33 1.42 2.20 -1.26 -4.46 114.94 107.18 2dgb s ASN 52 Ca -0.13 -1.17 0.04 0.00 -0.94 0.00 0.00 52.86 50.66 2dgb s ASN 52 Cb 0.17 0.79 0.64 0.00 -2.00 0.00 0.00 41.25 40.85 2dgb s ASN 52 CO 0.82 -1.56 1.93 0.25 -2.94 0.00 0.00 177.10 175.60 2dgb h LEU 53 N 2.03 0.79 -0.73 3.54 5.85 -1.99 0.22 115.31 125.02 2dgb h LEU 53 Ca -0.30 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 2dgb h LEU 53 Cb 1.25 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2dgb h LEU 53 CO 0.38 0.50 0.28 -0.07 -0.34 0.00 0.00 178.44 179.19 2dgb h LEU 54 N 0.89 1.02 -0.33 2.25 3.38 -1.99 -0.86 115.31 119.67 2dgb h LEU 54 Ca 0.36 -0.18 -0.19 0.00 0.09 0.00 0.00 57.88 57.96 2dgb h LEU 54 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2dgb h LEU 54 CO -0.14 0.92 -0.83 -0.08 0.09 0.00 0.00 178.44 178.40 2dgb h GLU 55 N 1.05 0.28 -0.08 1.13 4.81 -1.78 -2.33 114.58 117.66 2dgb h GLU 55 Ca 0.24 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2dgb h GLU 55 Cb 0.23 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2dgb h GLU 55 CO -0.02 0.96 -0.06 0.00 -0.73 0.00 0.00 179.01 179.16 2dgb h ALA 56 N 0.94 0.01 -0.87 2.92 0.00 -0.63 0.90 119.26 122.54 2dgb h ALA 56 Ca -0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dgb h ALA 56 Cb 1.44 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2dgb h ALA 56 CO 0.13 -0.53 0.52 1.49 0.00 0.00 0.00 179.25 180.86 2dgb h GLU 57 N -0.07 1.18 -0.29 0.00 4.81 -1.11 0.47 114.58 119.57 2dgb h GLU 57 Ca 0.05 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2dgb h GLU 57 Cb 0.15 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2dgb h GLU 57 CO -0.13 0.83 0.05 1.49 -0.73 0.00 0.00 179.01 180.53 2dgb h GLU 58 N 1.20 0.48 -0.33 1.92 4.57 -0.92 -1.32 114.58 120.17 2dgb h GLU 58 Ca 0.31 -0.12 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 2dgb h GLU 58 Cb -0.04 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2dgb h GLU 58 CO -0.06 0.58 -0.26 0.87 -1.18 0.00 0.00 179.01 178.95 2dgb h LYS 59 N 0.30 0.67 0.40 1.92 1.57 -0.61 -1.63 116.57 119.19 2dgb h LYS 59 Ca 0.09 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2dgb h LYS 59 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2dgb h LYS 59 CO 0.00 0.86 -0.19 0.00 -0.57 0.00 0.00 179.45 179.56 2dgb h ALA 60 N 1.13 -0.53 -0.59 3.86 0.00 -0.74 -2.97 119.26 119.42 2dgb h ALA 60 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2dgb h ALA 60 Cb 0.75 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2dgb h ALA 60 CO 0.06 -0.76 0.25 0.87 0.00 0.00 0.00 179.25 179.67 2dgb h LYS 61 N -0.61 0.84 -0.45 0.00 1.57 -1.23 -1.54 116.57 115.15 2dgb h LYS 61 Ca -0.05 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2dgb h LYS 61 Cb 0.45 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2dgb h LYS 61 CO 0.09 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2dgb n ALA 62 N -2.45 1.18 0.00 3.86 0.00 -0.62 -1.60 120.51 120.88 2dgb n ALA 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dgb n ALA 62 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.58 0.00 0.23 0.00 0.00 -0.58 -2.75 105.19 102.67 2dgb n GLY 64 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.44 0.00 4.61 0.00 -1.58 -2.25 119.26 121.48 2dgb h ALA 65 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2dgb h ALA 65 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2dgb h ALA 65 CO 0.00 0.39 -0.39 -0.07 0.00 0.00 0.00 179.25 179.18 2dgb h LEU 66 N 0.22 0.00 0.00 0.00 3.38 -1.80 -3.29 115.31 113.82 2dgb h LEU 66 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2dgb h LEU 66 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2dgb h LEU 66 CO 0.03 0.39 -1.16 -0.07 0.09 0.00 0.00 178.44 177.72 2dgb h LEU 67 N 0.00 0.00 -9.50 1.67 3.38 -1.73 -3.47 115.31 105.67 2dgb h LEU 67 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2dgb h LEU 67 Cb 0.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2dgb h LEU 67 CO 0.05 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.48 2dgb s ALA 68 N -2.76 3.42 -0.03 1.53 0.00 -1.09 -5.04 121.76 117.79 2dgb s ALA 68 Ca -0.01 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 2dgb s ALA 68 Cb 0.09 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 2dgb s ALA 68 CO 0.81 0.08 1.12 1.21 0.00 0.00 0.00 175.76 178.98 2dgb s ASN 69 N 0.04 7.15 0.19 0.00 2.47 -1.26 -4.93 114.94 118.60 2dgb s ASN 69 Ca 0.35 1.78 -0.14 0.00 0.42 0.00 0.00 52.86 55.27 2dgb s ASN 69 Cb -0.19 -2.56 0.20 0.00 -1.45 0.00 0.00 41.25 37.24 2dgb s ASN 69 CO 0.19 -0.47 1.68 -0.65 -3.72 0.00 0.00 177.10 174.13 2dgb h PRO 70 N 7.12 0.10 0.00 0.43 0.11 -1.96 0.17 132.00 137.98 2dgb h PRO 70 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2dgb h PRO 70 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2dgb h PRO 70 CO 0.84 0.07 0.00 0.28 -0.21 0.00 0.00 178.00 178.97 2dgb n VAL 71 N -5.25 0.00 -0.85 3.15 0.31 -1.26 -4.93 118.33 109.50 2dgb n VAL 71 Ca 0.06 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.13 2dgb n VAL 71 Cb 0.28 -0.38 0.05 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.68 -0.40 -4.08 5.55 1.02 0.58 -4.83 120.64 117.80 2dgb n GLU 73 Ca 0.05 -0.11 -0.09 0.00 -0.02 0.00 0.00 57.16 56.98 2dgb n GLU 73 Cb 0.02 -1.12 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.03 0.36 0.22 2.62 -7.23 -0.65 -4.57 120.40 109.11 2dgb s VAL 74 Ca 0.29 -1.54 0.11 0.00 -1.81 0.00 0.00 61.98 59.03 2dgb s VAL 74 Cb 0.04 -1.16 -0.05 0.00 0.56 0.00 0.00 36.38 35.78 2dgb s VAL 74 CO 0.46 -0.77 -0.20 -0.72 -0.31 0.00 0.00 175.10 173.55 2dgb s TYR 75 N -2.96 2.35 -0.07 2.82 -0.85 -1.26 -1.66 117.35 115.72 2dgb s TYR 75 Ca 0.01 -0.33 -0.05 0.00 -0.52 0.00 0.00 57.07 56.18 2dgb s TYR 75 Cb 0.01 -1.11 0.03 0.00 0.38 0.00 0.00 41.96 41.26 2dgb s TYR 75 CO -0.05 0.57 0.18 0.00 -1.52 0.00 0.00 175.55 174.73 2dgb s ALA 76 N -1.95 -0.41 -0.94 9.51 0.00 -0.32 -4.97 121.76 122.68 2dgb s ALA 76 Ca 0.24 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.64 2dgb s ALA 76 Cb -0.07 -0.39 0.12 0.00 0.00 0.00 0.00 23.12 22.78 2dgb s ALA 76 CO 0.12 -0.12 1.17 -1.17 0.00 0.00 0.00 175.76 175.77 2dgb s LEU 77 N 0.58 4.83 0.36 0.00 2.96 -1.26 -0.85 118.68 125.30 2dgb s LEU 77 Ca -0.04 -1.96 0.07 0.00 -0.22 0.00 0.00 54.13 51.98 2dgb s LEU 77 Cb -0.06 -2.42 0.70 0.00 0.50 0.00 0.00 46.19 44.91 2dgb s LEU 77 CO -0.03 -1.13 1.89 -0.08 -1.32 0.00 0.00 176.35 175.69 2dgb h GLU 78 N 8.97 0.35 -2.51 1.98 4.57 -1.14 -3.46 114.58 123.35 2dgb h GLU 78 Ca 0.16 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2dgb h GLU 78 Cb 1.02 -0.05 -0.16 0.00 -0.16 0.00 0.00 28.75 29.40 2dgb h GLU 78 CO 1.15 0.45 0.18 0.00 -1.18 0.00 0.00 179.01 179.61 2dgb s ALA 79 N -4.81 -1.64 -0.26 2.92 0.00 -1.09 -4.98 121.76 111.91 2dgb s ALA 79 Ca -0.06 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2dgb s ALA 79 Cb 0.15 0.41 0.15 0.00 0.00 0.00 0.00 23.12 23.83 2dgb s ALA 79 CO 0.75 -0.55 0.48 -1.17 0.00 0.00 0.00 175.76 175.26 2dgb s LEU 80 N -1.92 -0.93 0.08 0.00 2.96 -1.26 -0.55 118.68 117.07 2dgb s LEU 80 Ca -0.05 0.63 0.05 0.00 -0.22 0.00 0.00 54.13 54.54 2dgb s LEU 80 Cb -0.00 1.58 -0.03 0.00 0.50 0.00 0.00 46.19 48.24 2dgb s LEU 80 CO -0.01 -0.27 -0.14 -1.59 -1.32 0.00 0.00 176.35 173.02 2dgb s LYS 81 N 2.68 0.87 0.02 1.98 -2.85 -0.83 -4.98 119.74 116.63 2dgb s LYS 81 Ca 0.13 -1.03 -0.27 0.00 -1.00 0.00 0.00 55.97 53.80 2dgb s LYS 81 Cb -0.15 -0.85 -0.04 0.00 -2.06 0.00 0.00 37.83 34.73 2dgb s LYS 81 CO -0.17 0.18 0.84 -2.00 0.10 0.00 0.00 175.35 174.30 2dgb s GLU 82 N -1.97 4.53 0.08 1.78 2.12 -1.26 -1.22 118.70 122.76 2dgb s GLU 82 Ca 0.01 1.19 -0.28 0.00 0.36 0.00 0.00 54.97 56.24 2dgb s GLU 82 Cb -0.09 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 2dgb s GLU 82 CO 0.02 0.12 0.88 -0.51 -0.54 0.00 0.00 175.26 175.24 2dgb s LEU 83 N 0.48 4.47 0.00 2.70 1.43 0.16 -4.94 118.68 122.98 2dgb s LEU 83 Ca 0.44 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 2dgb s LEU 83 Cb -0.20 -3.44 0.45 0.00 0.03 0.00 0.00 46.19 43.02 2dgb s LEU 83 CO 0.24 -0.04 0.90 -2.65 0.23 0.00 0.00 176.35 175.04