#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dc2 s ILE 10 N 0.00 3.82 -0.16 4.25 2.07 -1.26 -4.22 121.20 125.71 2dc2 s ILE 10 Ca 0.00 -0.36 -0.01 0.00 -1.41 0.00 0.00 60.65 58.87 2dc2 s ILE 10 Cb 0.00 -2.72 -0.01 0.00 0.13 0.00 0.00 42.46 39.86 2dc2 s ILE 10 CO 0.00 0.44 -0.11 -0.13 -1.91 0.00 0.00 174.94 173.23 2dc2 s ARG 11 N 0.99 3.38 -0.32 3.50 0.52 -0.87 -5.04 118.95 121.10 2dc2 s ARG 11 Ca 0.01 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 54.46 2dc2 s ARG 11 Cb -0.14 -2.73 0.01 0.00 0.52 0.00 0.00 34.95 32.60 2dc2 s ARG 11 CO 0.01 0.09 0.15 0.15 0.02 0.00 0.00 175.30 175.73 2dc2 s LYS 12 N 0.67 3.14 -0.05 3.54 3.01 -1.26 -2.81 119.74 125.97 2dc2 s LYS 12 Ca -0.06 -0.85 0.06 0.00 -1.01 0.00 0.00 55.97 54.11 2dc2 s LYS 12 Cb -0.15 -3.57 -0.01 0.00 -1.01 0.00 0.00 37.83 33.09 2dc2 s LYS 12 CO 0.02 -0.50 -0.23 0.08 0.51 0.00 0.00 175.35 175.24 2dc2 s VAL 13 N 1.57 1.85 -0.17 3.17 1.01 -0.86 -5.02 120.40 121.96 2dc2 s VAL 13 Ca 0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2dc2 s VAL 13 Cb -0.18 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2dc2 s VAL 13 CO 0.06 0.52 0.23 -0.22 0.00 0.00 0.00 175.10 175.68 2dc2 s LEU 14 N -0.15 4.25 -0.04 3.92 2.96 -1.26 -2.08 118.68 126.27 2dc2 s LEU 14 Ca -0.02 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 2dc2 s LEU 14 Cb -0.13 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 2dc2 s LEU 14 CO 0.03 0.15 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.81 2dc2 s LEU 15 N 0.29 2.49 -0.29 -0.68 2.96 -0.55 -5.00 118.68 117.90 2dc2 s LEU 15 Ca 0.14 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2dc2 s LEU 15 Cb -0.12 -1.48 0.01 0.00 0.50 0.00 0.00 46.19 45.10 2dc2 s LEU 15 CO 0.02 0.33 0.07 -0.76 -1.32 0.00 0.00 176.35 174.69 2dc2 s LEU 16 N -0.63 3.82 -0.03 -0.68 1.02 -1.26 -2.29 118.68 118.63 2dc2 s LEU 16 Ca 0.10 -0.75 0.07 0.00 0.02 0.00 0.00 54.13 53.57 2dc2 s LEU 16 Cb -0.11 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 2dc2 s LEU 16 CO 0.00 -0.19 -0.23 -0.75 0.02 0.00 0.00 176.35 175.20 2dc2 s LYS 17 N 1.48 1.99 0.39 1.70 2.20 -1.19 -4.84 119.74 121.47 2dc2 s LYS 17 Ca 0.02 -0.84 0.08 0.00 -0.36 0.00 0.00 55.97 54.87 2dc2 s LYS 17 Cb -0.17 -1.87 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 2dc2 s LYS 17 CO 0.02 0.47 0.27 -1.21 -0.36 0.00 0.00 175.35 174.54 2dc2 s GLU 18 N -0.46 2.46 0.33 4.03 2.02 -1.26 -2.64 118.70 123.18 2dc2 s GLU 18 Ca 0.06 -1.56 0.02 0.00 0.02 0.00 0.00 54.97 53.51 2dc2 s GLU 18 Cb -0.10 -2.27 0.60 0.00 0.10 0.00 0.00 34.13 32.47 2dc2 s GLU 18 CO -0.00 -0.06 1.97 0.22 0.02 0.00 0.00 175.26 177.41 2dc2 h ASP 19 N 1.26 0.79 0.74 -0.19 3.58 -2.00 -1.93 116.42 118.68 2dc2 h ASP 19 Ca -0.43 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 56.86 2dc2 h ASP 19 Cb 1.26 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2dc2 h ASP 19 CO 0.61 0.55 -0.72 1.12 -2.88 0.00 0.00 179.24 177.92 2dc2 h HIS 20 N 0.92 0.00 -2.46 0.28 2.07 -2.05 -3.45 115.15 110.46 2dc2 h HIS 20 Ca 0.30 0.00 -0.45 0.00 -2.85 0.00 0.00 60.37 57.37 2dc2 h HIS 20 Cb 0.04 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.05 2dc2 h HIS 20 CO -0.00 0.72 -0.13 -1.21 -3.07 0.00 0.00 177.93 174.24 2dc2 s GLU 21 N -3.35 2.94 0.00 5.12 0.41 -0.72 -5.13 118.70 117.97 2dc2 s GLU 21 Ca -0.01 -0.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.87 2dc2 s GLU 21 Cb 0.12 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.87 2dc2 s GLU 21 CO 0.78 -0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.64 2dc2 n GLY 22 N -2.05 6.15 0.09 -1.39 0.00 -1.26 -4.47 105.19 102.26 2dc2 n GLY 22 Ca 0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2dc2 n GLY 22 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dc2 h LEU 23 N 0.00 -0.17 0.00 0.99 3.38 -2.00 -3.46 115.31 114.05 2dc2 h LEU 23 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dc2 h LEU 23 Cb 0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2dc2 h LEU 23 CO 0.00 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2dc2 n GLY 24 N 0.38 0.73 2.97 0.83 0.00 -1.26 -4.51 105.19 104.33 2dc2 n GLY 24 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2dc2 n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dc2 s ILE 25 N -2.34 0.24 -0.11 -0.61 -4.36 -1.26 -1.28 121.20 111.48 2dc2 s ILE 25 Ca 0.00 -0.57 -0.07 0.00 -0.26 0.00 0.00 60.65 59.75 2dc2 s ILE 25 Cb 0.00 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.38 2dc2 s ILE 25 CO 0.00 -0.22 0.15 -0.55 0.24 0.00 0.00 174.94 174.56 2dc2 s SER 26 N -0.83 6.40 0.20 4.36 0.15 0.07 -4.98 113.70 119.07 2dc2 s SER 26 Ca -0.07 0.48 0.10 0.00 0.70 0.00 0.00 55.95 57.17 2dc2 s SER 26 Cb -0.06 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 2dc2 s SER 26 CO -0.00 0.40 -0.14 0.27 1.20 0.00 0.00 173.24 174.97 2dc2 s ILE 27 N -1.04 2.90 0.08 6.45 -4.36 -1.26 -2.12 121.20 121.84 2dc2 s ILE 27 Ca 0.16 -1.88 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 2dc2 s ILE 27 Cb -0.12 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 2dc2 s ILE 27 CO 0.05 -0.17 -0.10 0.42 0.24 0.00 0.00 174.94 175.38 2dc2 s THR 28 N -1.86 0.82 0.00 8.37 -4.23 0.74 -4.86 115.64 114.62 2dc2 s THR 28 Ca 0.25 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 2dc2 s THR 28 Cb -0.08 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.60 2dc2 s THR 28 CO 0.14 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 2dc2 n GLY 29 N 0.82 -0.73 0.00 3.99 0.00 -1.26 -1.56 105.19 106.45 2dc2 n GLY 29 Ca -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2dc2 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dc2 n GLY 30 N 0.00 4.26 0.36 -0.02 0.00 -0.49 -4.86 105.19 104.43 2dc2 n GLY 30 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.57 2dc2 n GLY 30 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dc2 h LYS 31 N 0.00 0.98 -0.11 1.61 3.11 -1.76 -1.29 116.57 119.11 2dc2 h LYS 31 Ca 0.00 -0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 2dc2 h LYS 31 Cb 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.00 2dc2 h LYS 31 CO 0.00 0.65 -0.03 0.93 -2.81 0.00 0.00 179.45 178.19 2dc2 h GLU 32 N 1.01 0.15 0.00 1.90 4.39 -1.89 -1.92 114.58 118.21 2dc2 h GLU 32 Ca 0.32 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.82 2dc2 h GLU 32 Cb 0.02 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2dc2 h GLU 32 CO -0.09 0.19 -0.90 0.45 -1.16 0.00 0.00 179.01 177.50 2dc2 h HIS 33 N 0.15 0.00 0.00 4.33 3.86 -1.63 -3.48 115.15 118.38 2dc2 h HIS 33 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2dc2 h HIS 33 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 2dc2 h HIS 33 CO 0.00 0.82 0.00 0.41 0.86 0.00 0.00 177.93 180.02 2dc2 n GLY 34 N 1.33 1.73 3.17 2.45 0.00 -0.72 -5.04 105.19 108.10 2dc2 n GLY 34 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2dc2 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dc2 s VAL 35 N -2.00 0.00 0.80 1.61 -7.23 -0.96 -5.02 120.40 107.60 2dc2 s VAL 35 Ca 0.00 -0.00 -0.13 0.00 -1.81 0.00 0.00 61.98 60.03 2dc2 s VAL 35 Cb 0.00 -0.40 0.08 0.00 0.56 0.00 0.00 36.38 36.62 2dc2 s VAL 35 CO 0.00 -0.00 1.20 -2.84 -0.31 0.00 0.00 175.10 173.15 2dc2 s PRO 36 N 0.14 1.70 0.08 4.82 0.02 -1.26 -1.40 135.00 139.10 2dc2 s PRO 36 Ca -0.00 1.75 -0.25 0.00 0.02 0.00 0.00 61.00 62.52 2dc2 s PRO 36 Cb -0.02 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 2dc2 s PRO 36 CO 0.00 -2.16 0.75 0.42 -0.33 0.00 0.00 177.00 175.68 2dc2 s ILE 37 N -2.14 4.62 0.04 2.83 1.01 -1.26 -4.19 121.20 122.11 2dc2 s ILE 37 Ca 0.73 1.62 0.00 0.00 0.00 0.00 0.00 60.65 63.00 2dc2 s ILE 37 Cb -0.29 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 2dc2 s ILE 37 CO 0.50 0.43 -0.04 -1.48 0.00 0.00 0.00 174.94 174.34 2dc2 s LEU 38 N -0.46 2.36 -0.28 2.97 2.34 -0.60 -1.01 118.68 123.99 2dc2 s LEU 38 Ca 0.37 -0.73 -0.26 0.00 0.06 0.00 0.00 54.13 53.57 2dc2 s LEU 38 Cb -0.21 0.07 0.00 0.00 -0.56 0.00 0.00 46.19 45.49 2dc2 s LEU 38 CO 0.24 -0.40 0.89 -0.63 -1.06 0.00 0.00 176.35 175.39 2dc2 s ILE 39 N -2.52 4.73 -0.10 1.48 -1.09 0.20 -0.19 121.20 123.72 2dc2 s ILE 39 Ca -0.04 1.53 0.11 0.00 -2.23 0.00 0.00 60.65 60.02 2dc2 s ILE 39 Cb -0.02 -4.22 -0.16 0.00 -1.58 0.00 0.00 42.46 36.49 2dc2 s ILE 39 CO -0.04 -0.24 0.08 -0.24 -1.23 0.00 0.00 174.94 173.27 2dc2 n SER 40 N 6.30 2.05 -4.25 3.58 2.88 -0.90 -0.23 113.62 123.05 2dc2 n SER 40 Ca 0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.36 2dc2 n SER 40 Cb 0.47 0.91 -0.14 0.00 -0.75 0.00 0.00 64.21 64.71 2dc2 n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2dc2 s GLU 41 N -2.38 1.41 -0.20 -1.46 2.56 -1.17 -4.72 118.70 112.73 2dc2 s GLU 41 Ca -0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 54.97 53.99 2dc2 s GLU 41 Cb 0.04 -1.50 0.05 0.00 2.00 0.00 0.00 34.13 34.72 2dc2 s GLU 41 CO 0.50 0.39 -0.03 0.42 -0.56 0.00 0.00 175.26 175.97 2dc2 s ILE 42 N -0.77 1.15 -0.05 -3.70 -1.09 -1.26 -0.75 121.20 114.72 2dc2 s ILE 42 Ca 0.07 -0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 57.43 2dc2 s ILE 42 Cb -0.09 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 2dc2 s ILE 42 CO 0.02 -0.03 0.68 -1.00 -1.23 0.00 0.00 174.94 173.38 2dc2 s HIS 43 N 1.59 3.60 0.96 3.97 3.76 -0.40 -5.02 115.29 123.75 2dc2 s HIS 43 Ca -0.02 1.24 -0.14 0.00 -0.15 0.00 0.00 55.06 55.99 2dc2 s HIS 43 Cb -0.17 -2.77 0.17 0.00 1.11 0.00 0.00 32.58 30.92 2dc2 s HIS 43 CO -0.07 0.14 1.17 -1.25 -0.85 0.00 0.00 174.74 173.88 2dc2 s PRO 44 N 0.60 0.71 -1.47 8.40 0.04 -1.26 -4.19 135.00 137.83 2dc2 s PRO 44 Ca 0.36 0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.49 2dc2 s PRO 44 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2dc2 s PRO 44 CO 0.18 -2.45 0.04 0.41 0.04 0.00 0.00 177.00 175.21 2dc2 n GLY 45 N -2.37 -0.34 3.25 0.56 0.00 -1.26 -5.00 105.19 100.03 2dc2 n GLY 45 Ca 0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 2dc2 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dc2 s GLN 46 N -4.91 1.26 0.57 1.61 1.11 -1.26 -5.03 119.66 113.01 2dc2 s GLN 46 Ca 0.02 -1.67 0.28 0.00 0.01 0.00 0.00 55.36 54.01 2dc2 s GLN 46 Cb -0.01 -0.02 1.49 0.00 -1.01 0.00 0.00 33.01 33.46 2dc2 s GLN 46 CO 0.02 -0.31 1.94 -1.00 0.01 0.00 0.00 175.29 175.95 2dc2 h PRO 47 N 2.54 0.00 -0.38 2.91 0.13 -1.88 -1.49 132.00 133.83 2dc2 h PRO 47 Ca -0.37 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2dc2 h PRO 47 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dc2 h PRO 47 CO 0.58 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 178.59 2dc2 h ALA 48 N 1.55 0.48 -0.49 -0.56 0.00 -1.87 -1.57 119.26 116.80 2dc2 h ALA 48 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2dc2 h ALA 48 Cb 1.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2dc2 h ALA 48 CO -0.00 -0.08 -0.17 0.22 0.00 0.00 0.00 179.25 179.22 2dc2 h ASP 49 N 0.49 0.99 -0.40 0.00 3.58 -1.53 -2.50 116.42 117.06 2dc2 h ASP 49 Ca 0.14 -0.38 0.04 0.00 0.42 0.00 0.00 57.03 57.25 2dc2 h ASP 49 Cb -0.04 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 2dc2 h ASP 49 CO -0.04 1.15 0.27 0.03 -2.88 0.00 0.00 179.24 177.76 2dc2 h ARG 50 N 0.83 0.38 0.00 0.28 3.08 -1.31 -1.74 114.38 115.90 2dc2 h ARG 50 Ca 0.12 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 2dc2 h ARG 50 Cb 0.74 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2dc2 h ARG 50 CO 0.06 0.25 -0.88 0.00 -1.07 0.00 0.00 179.97 178.33 2dc2 n GLY 52 N 1.32 1.54 0.37 0.00 0.00 -0.66 -4.67 105.19 103.09 2dc2 n GLY 52 Ca -0.00 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2dc2 n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dc2 h GLY 53 N 0.00 0.00 -7.28 -0.02 0.00 -1.89 -3.38 103.07 90.50 2dc2 h GLY 53 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2dc2 h GLY 53 CO 0.00 0.00 0.40 1.08 0.00 0.00 0.00 176.54 178.02 2dc2 s LEU 54 N -7.04 3.00 0.23 3.11 2.01 -1.26 -4.92 118.68 113.82 2dc2 s LEU 54 Ca -0.04 -0.38 0.09 0.00 0.01 0.00 0.00 54.13 53.81 2dc2 s LEU 54 Cb 0.14 -2.56 -0.04 0.00 0.01 0.00 0.00 46.19 43.74 2dc2 s LEU 54 CO 0.48 -3.33 -0.06 -1.38 1.01 0.00 0.00 176.35 173.07 2dc2 s HIS 55 N 12.44 2.63 0.22 0.29 -3.43 -1.26 -4.87 115.29 121.31 2dc2 s HIS 55 Ca 0.81 -0.23 -0.30 0.00 -0.80 0.00 0.00 55.06 54.54 2dc2 s HIS 55 Cb -0.09 -1.22 -0.09 0.00 -1.43 0.00 0.00 32.58 29.75 2dc2 s HIS 55 CO 0.04 0.58 1.19 0.08 -2.00 0.00 0.00 174.74 174.63 2dc2 s VAL 56 N -2.05 3.47 0.00 -5.38 1.01 -1.26 -3.95 120.40 112.24 2dc2 s VAL 56 Ca 0.28 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.57 2dc2 s VAL 56 Cb -0.07 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2dc2 s VAL 56 CO 0.17 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2dc2 n GLY 57 N 1.86 0.97 3.48 4.51 0.00 0.68 -5.02 105.19 111.66 2dc2 n GLY 57 Ca 0.03 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2dc2 n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dc2 s ASP 58 N -2.31 4.35 -0.24 1.61 -1.08 -1.17 -3.27 116.67 114.56 2dc2 s ASP 58 Ca 0.00 -0.17 -0.09 0.00 -0.52 0.00 0.00 52.55 51.77 2dc2 s ASP 58 Cb 0.00 -1.35 -0.04 0.00 -1.46 0.00 0.00 42.92 40.07 2dc2 s ASP 58 CO 0.00 0.26 0.12 0.00 0.52 0.00 0.00 175.17 176.07 2dc2 s ALA 59 N -0.22 3.43 0.44 3.66 0.00 -0.33 0.60 121.76 129.35 2dc2 s ALA 59 Ca 0.02 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.82 2dc2 s ALA 59 Cb -0.13 -2.19 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 2dc2 s ALA 59 CO 0.03 -0.24 0.95 0.42 0.00 0.00 0.00 175.76 176.92 2dc2 s ILE 60 N 1.16 4.42 0.01 0.00 1.01 -0.18 0.09 121.20 127.70 2dc2 s ILE 60 Ca 0.06 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2dc2 s ILE 60 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2dc2 s ILE 60 CO 0.05 -0.38 0.00 0.18 0.00 0.00 0.00 174.94 174.79 2dc2 n LEU 61 N -0.79 0.00 -3.87 2.97 4.77 -0.49 -4.62 117.00 114.97 2dc2 n LEU 61 Ca 0.07 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 2dc2 n LEU 61 Cb 0.54 0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 2dc2 n LEU 61 CO 0.39 -0.42 -0.21 0.00 -1.33 0.00 0.00 177.39 175.81 2dc2 s ALA 62 N -2.00 -0.27 -0.12 -1.18 0.00 -1.14 0.28 121.76 117.33 2dc2 s ALA 62 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2dc2 s ALA 62 Cb 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2dc2 s ALA 62 CO 0.00 -0.14 0.02 0.08 0.00 0.00 0.00 175.76 175.71 2dc2 s VAL 63 N -0.81 0.41 -1.49 0.00 1.01 0.94 -0.41 120.40 120.05 2dc2 s VAL 63 Ca -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2dc2 s VAL 63 Cb -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2dc2 s VAL 63 CO 0.01 0.06 0.50 -3.20 0.00 0.00 0.00 175.10 172.47 2dc2 n ASN 64 N 5.12 -5.48 0.00 3.32 2.85 0.16 -1.04 115.26 120.19 2dc2 n ASN 64 Ca -0.08 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.13 2dc2 n ASN 64 Cb 0.49 -4.46 0.00 0.00 1.24 0.00 0.00 39.78 37.04 2dc2 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dc2 n GLY 65 N -1.37 3.24 3.73 8.20 0.00 -1.26 -5.00 105.19 112.73 2dc2 n GLY 65 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2dc2 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dc2 s VAL 66 N -2.19 4.40 0.17 1.61 1.01 -0.20 -5.03 120.40 120.17 2dc2 s VAL 66 Ca 0.00 2.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.75 2dc2 s VAL 66 Cb 0.00 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 2dc2 s VAL 66 CO 0.00 0.36 0.93 0.21 0.00 0.00 0.00 175.10 176.60 2dc2 s ASN 67 N -0.30 7.54 -0.02 3.32 2.47 -1.26 -0.04 114.94 126.66 2dc2 s ASN 67 Ca 0.45 1.84 0.05 0.00 0.42 0.00 0.00 52.86 55.61 2dc2 s ASN 67 Cb -0.24 -2.59 -0.25 0.00 -1.45 0.00 0.00 41.25 36.73 2dc2 s ASN 67 CO 0.30 0.06 0.76 0.25 -3.72 0.00 0.00 177.10 174.75 2dc2 h LEU 68 N 4.87 0.17 -1.40 3.21 5.85 -0.53 -3.34 115.31 124.13 2dc2 h LEU 68 Ca -0.44 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 57.93 2dc2 h LEU 68 Cb 1.21 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2dc2 h LEU 68 CO 0.70 1.25 -0.28 -0.09 -0.34 0.00 0.00 178.44 179.67 2dc2 h ARG 69 N 0.03 0.00 -0.36 1.25 2.43 -1.90 -2.43 114.38 113.40 2dc2 h ARG 69 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2dc2 h ARG 69 Cb 1.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2dc2 h ARG 69 CO 0.11 0.28 0.00 -0.25 -1.51 0.00 0.00 179.97 178.61 2dc2 n ASP 70 N -3.87 1.90 -4.14 -3.80 8.00 -1.25 -4.88 116.55 108.51 2dc2 n ASP 70 Ca -0.02 -2.00 -0.14 0.00 0.71 0.00 0.00 54.79 53.35 2dc2 n ASP 70 Cb 0.37 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 2dc2 n ASP 70 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2dc2 s THR 71 N -1.53 0.80 0.56 -3.53 -1.32 -0.92 -5.06 115.64 104.65 2dc2 s THR 71 Ca 0.24 -1.52 -0.08 0.00 -1.21 0.00 0.00 61.69 59.12 2dc2 s THR 71 Cb 0.12 -1.20 -0.03 0.00 -1.51 0.00 0.00 72.50 69.89 2dc2 s THR 71 CO 0.16 -0.55 0.91 -0.54 -2.21 0.00 0.00 174.62 172.39 2dc2 s LYS 72 N -2.59 3.40 0.14 7.08 3.01 -1.26 -4.40 119.74 125.11 2dc2 s LYS 72 Ca 0.02 0.36 -0.21 0.00 -1.01 0.00 0.00 55.97 55.13 2dc2 s LYS 72 Cb -0.04 -2.23 -0.00 0.00 -1.01 0.00 0.00 37.83 34.55 2dc2 s LYS 72 CO -0.01 -0.47 1.67 1.25 0.51 0.00 0.00 175.35 178.30 2dc2 h HIS 73 N -0.09 -0.37 -0.74 3.18 2.76 -1.89 0.62 115.15 118.62 2dc2 h HIS 73 Ca -0.46 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 57.73 2dc2 h HIS 73 Cb 1.21 0.19 -0.04 0.00 1.55 0.00 0.00 27.41 30.33 2dc2 h HIS 73 CO 0.58 -0.22 0.43 1.57 -1.30 0.00 0.00 177.93 178.99 2dc2 h LYS 74 N -0.16 1.01 -0.47 5.26 2.10 -1.95 -2.05 116.57 120.32 2dc2 h LYS 74 Ca 0.11 -0.10 -0.11 0.00 -2.00 0.00 0.00 60.65 58.55 2dc2 h LYS 74 Cb 0.33 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 2dc2 h LYS 74 CO -0.28 0.73 -0.16 1.49 -2.00 0.00 0.00 179.45 179.23 2dc2 h GLU 75 N 1.01 0.90 -0.29 0.07 4.22 -1.78 -2.91 114.58 115.80 2dc2 h GLU 75 Ca 0.26 -0.35 -0.04 0.00 0.08 0.00 0.00 59.36 59.31 2dc2 h GLU 75 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2dc2 h GLU 75 CO -0.05 1.00 -0.00 0.00 -2.18 0.00 0.00 179.01 177.78 2dc2 h ALA 76 N 1.01 1.46 -0.58 2.92 0.00 0.59 -2.03 119.26 122.63 2dc2 h ALA 76 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2dc2 h ALA 76 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2dc2 h ALA 76 CO 0.05 0.39 0.30 0.28 0.00 0.00 0.00 179.25 180.27 2dc2 h VAL 77 N 0.43 1.20 -0.18 0.00 2.07 -1.18 0.63 116.25 119.22 2dc2 h VAL 77 Ca 0.10 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2dc2 h VAL 77 Cb 0.29 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2dc2 h VAL 77 CO 0.01 0.22 0.03 0.74 0.02 0.00 0.00 177.57 178.59 2dc2 h THR 78 N 0.79 1.22 -0.11 2.57 2.02 -1.43 -2.36 112.91 115.61 2dc2 h THR 78 Ca 0.20 -0.72 0.01 0.00 0.77 0.00 0.00 66.41 66.67 2dc2 h THR 78 Cb 0.07 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2dc2 h THR 78 CO -0.03 0.22 0.04 0.40 0.37 0.00 0.00 175.52 176.52 2dc2 h ILE 79 N 0.09 0.98 -0.79 3.11 2.04 -1.16 -1.94 117.51 119.85 2dc2 h ILE 79 Ca 0.06 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 66.00 2dc2 h ILE 79 Cb 0.30 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 2dc2 h ILE 79 CO 0.00 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.61 2dc2 h LEU 80 N 0.09 0.58 -0.90 1.44 3.38 -0.84 0.12 115.31 119.19 2dc2 h LEU 80 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dc2 h LEU 80 Cb 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2dc2 h LEU 80 CO -0.04 0.33 -0.00 -1.28 0.09 0.00 0.00 178.44 177.53 2dc2 h SER 81 N 0.63 0.00 0.79 -0.43 0.87 -0.84 -3.00 113.55 111.57 2dc2 h SER 81 Ca 0.37 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.80 2dc2 h SER 81 Cb 0.58 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2dc2 h SER 81 CO -0.14 0.00 -0.63 1.56 -0.53 0.00 0.00 176.83 177.09 2dc2 h GLN 82 N 0.00 0.00 -6.12 2.24 4.20 -0.02 -3.42 115.11 112.00 2dc2 h GLN 82 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2dc2 h GLN 82 Cb 0.70 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2dc2 h GLN 82 CO 0.00 0.63 1.32 -0.65 -0.67 0.00 0.00 178.83 179.46 2dc2 s GLN 83 N -3.40 2.96 0.08 1.46 1.11 -1.13 -4.98 119.66 115.76 2dc2 s GLN 83 Ca -0.00 1.02 0.03 0.00 0.01 0.00 0.00 55.36 56.42 2dc2 s GLN 83 Cb 0.11 -4.30 -0.04 0.00 -1.01 0.00 0.00 33.01 27.78 2dc2 s GLN 83 CO 0.76 -2.32 0.08 0.50 0.01 0.00 0.00 175.29 174.32 2dc2 s ARG 84 N 6.39 2.90 5.42 2.91 3.52 -1.26 -4.87 118.95 133.95 2dc2 s ARG 84 Ca 0.74 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 2dc2 s ARG 84 Cb -0.17 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 2dc2 s ARG 84 CO 0.27 0.57 0.00 0.41 -0.81 0.00 0.00 175.30 175.74 2dc2 n GLY 85 N 0.47 1.17 3.63 8.12 0.00 -1.08 -4.56 105.19 112.94 2dc2 n GLY 85 Ca -0.09 0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2dc2 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dc2 s GLU 86 N 0.00 4.00 -0.14 1.61 2.12 -1.26 -3.16 118.70 121.86 2dc2 s GLU 86 Ca 0.00 1.03 0.01 0.00 0.36 0.00 0.00 54.97 56.38 2dc2 s GLU 86 Cb 0.00 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.63 2dc2 s GLU 86 CO 0.00 -1.00 -0.18 0.42 -0.54 0.00 0.00 175.26 173.96 2dc2 s ILE 87 N 3.87 1.79 -0.24 -3.70 1.01 -0.97 -5.03 121.20 117.92 2dc2 s ILE 87 Ca 0.47 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 2dc2 s ILE 87 Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2dc2 s ILE 87 CO 0.19 0.50 0.44 -0.70 0.00 0.00 0.00 174.94 175.36 2dc2 s GLU 88 N 1.14 4.09 -0.11 2.79 2.12 -1.26 -1.49 118.70 125.98 2dc2 s GLU 88 Ca -0.01 0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.55 2dc2 s GLU 88 Cb -0.14 -3.61 -0.00 0.00 0.26 0.00 0.00 34.13 30.63 2dc2 s GLU 88 CO -0.06 -0.22 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.17 2dc2 s PHE 89 N 1.89 2.65 -0.23 5.30 0.40 -0.88 0.37 117.98 127.48 2dc2 s PHE 89 Ca 0.19 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2dc2 s PHE 89 Cb -0.15 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.65 2dc2 s PHE 89 CO 0.09 -0.36 -0.12 -1.21 0.70 0.00 0.00 175.22 174.32 2dc2 s GLU 90 N 0.37 2.72 0.23 0.44 2.02 0.46 -2.03 118.70 122.91 2dc2 s GLU 90 Ca -0.16 -1.03 0.01 0.00 0.02 0.00 0.00 54.97 53.81 2dc2 s GLU 90 Cb -0.17 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.19 2dc2 s GLU 90 CO 0.07 -0.38 0.10 0.14 0.02 0.00 0.00 175.26 175.21 2dc2 s VAL 91 N 1.25 0.39 -0.03 2.63 -7.23 -1.12 -1.40 120.40 114.89 2dc2 s VAL 91 Ca -0.01 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.17 2dc2 s VAL 91 Cb -0.16 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2dc2 s VAL 91 CO -0.07 -0.07 -0.00 0.68 -0.31 0.00 0.00 175.10 175.33 2dc2 s VAL 92 N -3.87 0.19 -0.04 1.32 -7.23 0.11 -2.06 120.40 108.82 2dc2 s VAL 92 Ca 0.36 0.05 -0.30 0.00 -1.81 0.00 0.00 61.98 60.29 2dc2 s VAL 92 Cb 0.07 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.70 2dc2 s VAL 92 CO 0.12 0.13 1.41 -0.47 -0.31 0.00 0.00 175.10 175.98 2dc2 s TYR 93 N 0.86 2.73 -0.05 2.82 6.14 -1.26 -1.19 117.35 127.41 2dc2 s TYR 93 Ca -0.09 0.77 0.00 0.00 0.64 0.00 0.00 57.07 58.40 2dc2 s TYR 93 Cb -0.12 -3.66 -0.03 0.00 0.42 0.00 0.00 41.96 38.56 2dc2 s TYR 93 CO -0.01 -2.48 -0.02 0.14 0.64 0.00 0.00 175.55 173.82 2dc2 s VAL 94 N 2.83 4.07 0.00 3.14 -7.23 -1.20 -4.97 120.40 117.04 2dc2 s VAL 94 Ca 0.63 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2dc2 s VAL 94 Cb -0.30 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.90 2dc2 s VAL 94 CO 0.25 0.51 0.00 0.00 -0.31 0.00 0.00 175.10 175.55