#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuw s ARG 3 N 0.00 4.20 0.23 -0.52 0.52 -1.26 -1.32 118.95 120.80 2cuw s ARG 3 Ca 0.00 0.37 0.09 0.00 -0.52 0.00 0.00 55.73 55.67 2cuw s ARG 3 Cb 0.00 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.05 2cuw s ARG 3 CO 0.00 0.33 -0.16 0.71 0.02 0.00 0.00 175.30 176.20 2cuw s TYR 4 N 0.09 1.89 -0.12 -0.53 2.02 0.67 0.73 117.35 122.10 2cuw s TYR 4 Ca 0.23 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.44 2cuw s TYR 4 Cb -0.15 -0.85 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 2cuw s TYR 4 CO 0.10 0.47 -0.13 -1.14 -1.57 0.00 0.00 175.55 173.28 2cuw s GLN 5 N -3.60 2.07 -0.14 -0.62 0.74 -0.30 -0.97 119.66 116.84 2cuw s GLN 5 Ca 0.25 -0.48 -0.05 0.00 0.05 0.00 0.00 55.36 55.12 2cuw s GLN 5 Cb -0.02 -1.89 -0.04 0.00 1.10 0.00 0.00 33.01 32.17 2cuw s GLN 5 CO 0.09 -0.18 0.04 0.00 -0.55 0.00 0.00 175.29 174.70 2cuw s ALA 6 N 1.34 3.39 -0.46 1.58 0.00 0.72 -2.10 121.76 126.25 2cuw s ALA 6 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 2cuw s ALA 6 Cb -0.14 -1.75 0.11 0.00 0.00 0.00 0.00 23.12 21.34 2cuw s ALA 6 CO -0.07 0.37 0.32 0.99 0.00 0.00 0.00 175.76 177.38 2cuw s THR 7 N -0.22 4.18 -0.19 0.00 2.01 0.12 -0.92 115.64 120.61 2cuw s THR 7 Ca 0.07 -1.70 -0.09 0.00 0.31 0.00 0.00 61.69 60.28 2cuw s THR 7 Cb -0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2cuw s THR 7 CO 0.02 -0.71 0.10 -0.76 -0.69 0.00 0.00 174.62 172.58 2cuw s LEU 8 N 1.37 4.06 -0.17 4.42 1.43 -0.46 -0.35 118.68 128.99 2cuw s LEU 8 Ca 0.05 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 2cuw s LEU 8 Cb -0.25 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2cuw s LEU 8 CO -0.00 0.18 -0.02 -0.76 0.23 0.00 0.00 176.35 175.98 2cuw s LEU 9 N 0.32 3.29 -0.32 1.79 1.43 -0.20 -0.51 118.68 124.48 2cuw s LEU 9 Ca 0.06 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2cuw s LEU 9 Cb -0.12 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.37 2cuw s LEU 9 CO -0.01 0.15 0.02 -0.63 0.23 0.00 0.00 176.35 176.11 2cuw s ILE 10 N 0.50 2.87 0.31 -0.59 1.01 0.57 -0.95 121.20 124.93 2cuw s ILE 10 Ca -0.02 -1.61 0.09 0.00 0.00 0.00 0.00 60.65 59.11 2cuw s ILE 10 Cb -0.14 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.52 2cuw s ILE 10 CO 0.02 -0.24 -0.10 -1.61 0.00 0.00 0.00 174.94 173.02 2cuw s GLU 11 N 1.18 1.70 0.20 2.79 2.02 -0.52 -1.11 118.70 124.96 2cuw s GLU 11 Ca -0.02 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 52.82 2cuw s GLU 11 Cb -0.20 -1.53 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 2cuw s GLU 11 CO -0.03 0.14 1.09 -0.51 0.02 0.00 0.00 175.26 175.97 2cuw s LEU 12 N -3.53 4.51 0.90 1.80 1.43 -1.26 -1.06 118.68 121.46 2cuw s LEU 12 Ca 0.31 2.12 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2cuw s LEU 12 Cb 0.02 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.76 2cuw s LEU 12 CO 0.15 -0.18 1.09 -0.54 0.23 0.00 0.00 176.35 177.10 2cuw s LYS 13 N -0.64 1.23 0.34 1.70 1.02 -1.26 -4.84 119.74 117.29 2cuw s LYS 13 Ca 0.48 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 56.97 2cuw s LYS 13 Cb -0.30 -1.81 -0.11 0.00 -0.52 0.00 0.00 37.83 35.10 2cuw s LYS 13 CO 0.36 -2.25 1.41 0.15 -0.92 0.00 0.00 175.35 174.10 2cuw s LYS 14 N -4.95 4.23 0.00 1.68 3.01 -1.26 -2.57 119.74 119.88 2cuw s LYS 14 Ca 0.63 2.40 0.00 0.00 -1.01 0.00 0.00 55.97 57.99 2cuw s LYS 14 Cb -0.18 -3.03 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 2cuw s LYS 14 CO 0.57 -0.38 0.00 0.41 0.51 0.00 0.00 175.35 176.45 2cuw n GLY 15 N 0.88 2.98 3.71 -3.33 0.00 -1.26 -5.03 105.19 103.15 2cuw n GLY 15 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2cuw n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cuw s ILE 16 N -2.55 3.18 0.21 -0.61 1.09 -1.06 -4.93 121.20 116.54 2cuw s ILE 16 Ca 0.00 0.84 -0.32 0.00 -1.10 0.00 0.00 60.65 60.07 2cuw s ILE 16 Cb 0.00 -3.54 -0.12 0.00 -1.06 0.00 0.00 42.46 37.74 2cuw s ILE 16 CO 0.00 0.06 1.65 0.18 -0.10 0.00 0.00 174.94 176.74 2cuw n LEU 17 N 4.03 3.82 -3.59 2.97 4.77 -1.26 -4.93 117.00 122.80 2cuw n LEU 17 Ca 0.12 1.08 -0.27 0.00 -0.03 0.00 0.00 56.01 56.91 2cuw n LEU 17 Cb 0.42 -1.54 -0.09 0.00 -2.33 0.00 0.00 43.42 39.87 2cuw n LEU 17 CO 0.59 0.04 0.04 -0.67 -1.33 0.00 0.00 177.39 176.07 2cuw n ASP 18 N 3.45 3.53 -0.21 -1.43 -0.08 -1.26 -4.94 116.55 115.60 2cuw n ASP 18 Ca 0.15 -3.37 -0.01 0.00 -1.51 0.00 0.00 54.79 50.05 2cuw n ASP 18 Cb 0.34 -0.70 0.06 0.00 2.34 0.00 0.00 41.12 43.16 2cuw n ASP 18 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2cuw h PRO 19 N 4.60 0.01 -0.28 -0.67 0.13 -1.98 0.16 132.00 133.96 2cuw h PRO 19 Ca 0.18 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.36 2cuw h PRO 19 Cb 0.69 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 2cuw h PRO 19 CO 0.80 0.00 0.03 1.96 -0.23 0.00 0.00 178.00 180.56 2cuw h GLN 20 N 0.01 0.12 -0.23 0.86 4.20 -1.97 0.16 115.11 118.27 2cuw h GLN 20 Ca 0.30 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.03 2cuw h GLN 20 Cb 0.46 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 2cuw h GLN 20 CO -0.63 0.08 0.07 0.78 -0.67 0.00 0.00 178.83 178.45 2cuw h GLY 21 N 0.12 0.27 0.72 3.46 0.00 -1.33 0.69 103.07 107.00 2cuw h GLY 21 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.47 2cuw h GLY 21 CO -0.20 0.02 0.25 3.21 0.00 0.00 0.00 176.54 179.82 2cuw h ARG 22 N 0.17 0.47 -0.33 4.80 -0.00 -0.25 -0.92 114.38 118.32 2cuw h ARG 22 Ca 0.10 -0.03 0.04 0.00 -0.50 0.00 0.00 59.98 59.59 2cuw h ARG 22 Cb 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 29.97 29.90 2cuw h ARG 22 CO -0.11 0.31 0.11 0.00 0.00 0.00 0.00 179.97 180.28 2cuw h ALA 23 N 1.27 0.38 -0.61 0.04 0.00 0.01 -0.99 119.26 119.37 2cuw h ALA 23 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2cuw h ALA 23 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2cuw h ALA 23 CO -0.16 -0.29 0.39 0.28 0.00 0.00 0.00 179.25 179.48 2cuw h VAL 24 N 0.25 1.16 0.11 0.00 2.07 -0.28 -0.96 116.25 118.60 2cuw h VAL 24 Ca 0.15 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2cuw h VAL 24 Cb 0.12 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2cuw h VAL 24 CO -0.15 0.16 -0.14 -0.33 0.02 0.00 0.00 177.57 177.13 2cuw h GLU 25 N 0.83 -0.28 -0.66 1.57 5.08 -0.79 0.27 114.58 120.59 2cuw h GLU 25 Ca 0.22 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.73 2cuw h GLU 25 Cb -0.08 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 2cuw h GLU 25 CO -0.05 -0.19 0.18 0.78 -1.00 0.00 0.00 179.01 178.74 2cuw h GLY 26 N -0.29 0.90 0.56 -3.84 0.00 -0.74 -1.71 103.07 97.96 2cuw h GLY 26 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2cuw h GLY 26 CO -0.06 -0.12 -0.04 -2.08 0.00 0.00 0.00 176.54 174.24 2cuw h VAL 27 N 0.31 1.16 -1.03 4.60 2.07 -0.82 -2.24 116.25 120.30 2cuw h VAL 27 Ca 0.36 -0.94 0.26 0.00 0.82 0.00 0.00 66.70 67.19 2cuw h VAL 27 Cb 0.55 1.76 -0.11 0.00 -1.52 0.00 0.00 31.29 31.96 2cuw h VAL 27 CO -0.42 0.23 0.63 -0.07 0.02 0.00 0.00 177.57 177.96 2cuw h LEU 28 N -0.55 0.57 -0.23 2.57 3.38 -0.64 0.16 115.31 120.57 2cuw h LEU 28 Ca -0.01 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2cuw h LEU 28 Cb 0.46 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2cuw h LEU 28 CO 0.02 0.10 -0.46 0.11 0.09 0.00 0.00 178.44 178.29 2cuw h LYS 29 N 0.50 0.72 0.00 1.13 6.56 -1.25 0.27 116.57 124.49 2cuw h LYS 29 Ca 0.63 -0.47 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 2cuw h LYS 29 Cb 1.36 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 33.08 2cuw h LYS 29 CO -0.40 1.09 0.00 -0.25 -2.06 0.00 0.00 179.45 177.83 2cuw n ASP 30 N -4.15 0.34 -1.10 0.86 8.00 0.36 -1.69 116.55 119.17 2cuw n ASP 30 Ca -0.05 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.14 2cuw n ASP 30 Cb 0.58 -0.67 0.26 0.00 -0.02 0.00 0.00 41.12 41.27 2cuw n ASP 30 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2cuw n LEU 31 N -1.90 3.64 -0.06 0.64 4.77 -0.12 -4.96 117.00 119.03 2cuw n LEU 31 Ca 0.02 -2.06 -0.01 0.00 -0.03 0.00 0.00 56.01 53.93 2cuw n LEU 31 Cb 0.14 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2cuw n LEU 31 CO 0.13 0.87 -0.01 0.61 -1.33 0.00 0.00 177.39 177.67 2cuw n GLY 32 N 1.13 0.43 2.57 -0.72 0.00 -0.68 -4.96 105.19 102.96 2cuw n GLY 32 Ca 0.20 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 2cuw n GLY 32 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2cuw n HIS 33 N -3.03 2.38 -1.60 1.61 8.25 0.90 -5.01 115.22 118.72 2cuw n HIS 33 Ca -0.01 -3.21 -0.47 0.00 -0.26 0.00 0.00 57.72 53.77 2cuw n HIS 33 Cb 0.05 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.85 2cuw n HIS 33 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2cuw n PRO 34 N -0.22 1.38 -4.24 -0.41 -0.02 -1.24 -4.20 135.00 126.05 2cuw n PRO 34 Ca 0.26 0.49 -0.13 0.00 -2.02 0.00 0.00 63.50 62.10 2cuw n PRO 34 Cb 0.68 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 2cuw n PRO 34 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2cuw s VAL 35 N -0.33 0.83 0.01 -1.45 -7.23 -1.26 -4.97 120.40 105.99 2cuw s VAL 35 Ca 0.69 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 2cuw s VAL 35 Cb -0.78 -1.99 -0.35 0.00 0.56 0.00 0.00 36.38 33.82 2cuw s VAL 35 CO 0.53 -0.60 0.94 -0.33 -0.31 0.00 0.00 175.10 175.33 2cuw h GLU 36 N 2.75 0.51 -2.13 4.82 5.08 -1.99 -3.48 114.58 120.14 2cuw h GLU 36 Ca -0.37 -0.87 -0.06 0.00 -1.00 0.00 0.00 59.36 57.06 2cuw h GLU 36 Cb 1.19 0.32 -0.20 0.00 0.50 0.00 0.00 28.75 30.57 2cuw h GLU 36 CO 0.63 1.42 0.10 -2.00 -1.00 0.00 0.00 179.01 178.16 2cuw s GLU 37 N -2.59 0.89 -0.08 2.33 2.12 -1.26 -5.12 118.70 114.99 2cuw s GLU 37 Ca -0.10 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.80 2cuw s GLU 37 Cb 0.04 0.43 0.02 0.00 0.26 0.00 0.00 34.13 34.88 2cuw s GLU 37 CO 0.93 -0.20 -0.06 0.08 -0.54 0.00 0.00 175.26 175.46 2cuw s VAL 38 N -0.42 0.80 -0.15 3.70 1.01 -1.26 -5.04 120.40 119.03 2cuw s VAL 38 Ca -0.06 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2cuw s VAL 38 Cb -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2cuw s VAL 38 CO 0.05 0.31 -0.17 -0.13 0.00 0.00 0.00 175.10 175.16 2cuw s ARG 39 N 1.38 3.15 -0.21 2.72 0.52 -1.26 -4.35 118.95 120.90 2cuw s ARG 39 Ca -0.03 -0.78 -0.08 0.00 -0.52 0.00 0.00 55.73 54.32 2cuw s ARG 39 Cb -0.14 -2.57 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 2cuw s ARG 39 CO -0.03 -0.01 0.10 0.08 0.02 0.00 0.00 175.30 175.46 2cuw s VAL 40 N 0.85 4.95 0.00 3.52 1.01 -1.26 -4.98 120.40 124.49 2cuw s VAL 40 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2cuw s VAL 40 Cb -0.15 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2cuw s VAL 40 CO -0.01 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.11 2cuw n GLY 41 N 3.91 4.48 3.43 4.51 0.00 -1.26 -4.58 105.19 115.68 2cuw n GLY 41 Ca -0.16 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 2cuw n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cuw s LYS 42 N -1.27 2.01 -0.05 1.61 1.02 -0.27 -4.97 119.74 117.82 2cuw s LYS 42 Ca 0.00 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.04 2cuw s LYS 42 Cb 0.00 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2cuw s LYS 42 CO 0.00 0.53 -0.23 0.54 -0.92 0.00 0.00 175.35 175.27 2cuw s VAL 43 N -0.89 1.88 -0.12 3.17 0.11 -1.26 -0.31 120.40 122.97 2cuw s VAL 43 Ca 0.14 -0.98 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 2cuw s VAL 43 Cb -0.10 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2cuw s VAL 43 CO 0.04 0.53 -0.14 -0.76 -3.33 0.00 0.00 175.10 171.44 2cuw s LEU 44 N -0.18 1.64 -0.39 2.54 1.02 0.33 -4.99 118.68 118.64 2cuw s LEU 44 Ca -0.02 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 2cuw s LEU 44 Cb -0.12 -1.09 0.01 0.00 0.02 0.00 0.00 46.19 45.00 2cuw s LEU 44 CO 0.03 -0.03 0.42 -1.61 0.02 0.00 0.00 176.35 175.17 2cuw s GLU 45 N 1.28 3.30 -0.17 1.70 0.41 -1.26 -1.35 118.70 122.61 2cuw s GLU 45 Ca -0.00 -0.59 -0.01 0.00 -0.41 0.00 0.00 54.97 53.96 2cuw s GLU 45 Cb -0.14 -3.90 -0.00 0.00 -1.78 0.00 0.00 34.13 28.31 2cuw s GLU 45 CO -0.06 -0.72 -0.13 0.42 -0.49 0.00 0.00 175.26 174.27 2cuw s ILE 46 N 2.12 2.77 -0.20 -1.63 1.09 -0.10 -4.94 121.20 120.31 2cuw s ILE 46 Ca 0.13 -0.73 -0.08 0.00 -1.10 0.00 0.00 60.65 58.87 2cuw s ILE 46 Cb -0.17 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.00 2cuw s ILE 46 CO 0.13 0.50 0.08 -0.69 -0.10 0.00 0.00 174.94 174.86 2cuw s VAL 47 N 0.95 4.89 0.08 2.92 1.01 -1.26 -0.20 120.40 128.80 2cuw s VAL 47 Ca -0.02 0.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 2cuw s VAL 47 Cb -0.15 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.06 2cuw s VAL 47 CO -0.02 0.44 0.52 0.72 0.00 0.00 0.00 175.10 176.76 2cuw s PHE 48 N 0.54 -0.41 0.39 5.22 -0.12 -0.14 -4.97 117.98 118.49 2cuw s PHE 48 Ca 0.04 0.35 -0.10 0.00 -0.05 0.00 0.00 56.93 57.18 2cuw s PHE 48 Cb -0.13 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.58 2cuw s PHE 48 CO 0.01 -0.69 0.74 -1.25 -0.05 0.00 0.00 175.22 173.97 2cuw s PRO 49 N -2.93 3.76 0.17 1.99 0.04 -1.26 -0.24 135.00 136.53 2cuw s PRO 49 Ca -0.03 0.40 -0.23 0.00 0.04 0.00 0.00 61.00 61.19 2cuw s PRO 49 Cb -0.00 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 32.18 2cuw s PRO 49 CO -0.06 -0.00 0.61 0.00 0.04 0.00 0.00 177.00 177.59 2cuw s ALA 50 N -2.33 -1.56 0.12 8.56 0.00 -0.44 -4.91 121.76 121.20 2cuw s ALA 50 Ca 0.50 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2cuw s ALA 50 Cb -0.10 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 2cuw s ALA 50 CO 0.31 -0.79 1.48 0.93 0.00 0.00 0.00 175.76 177.69 2cuw h GLU 51 N 2.00 0.79 -3.05 0.00 4.39 -1.93 0.44 114.58 117.23 2cuw h GLU 51 Ca -0.33 -0.37 0.06 0.00 0.34 0.00 0.00 59.36 59.06 2cuw h GLU 51 Cb 1.30 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 2cuw h GLU 51 CO 0.37 1.00 0.20 0.54 -1.16 0.00 0.00 179.01 179.96 2cuw s ASN 52 N -6.55 -0.24 0.42 1.42 2.20 -1.26 -4.54 114.94 106.38 2cuw s ASN 52 Ca -0.12 -0.64 0.14 0.00 -0.94 0.00 0.00 52.86 51.30 2cuw s ASN 52 Cb 0.10 0.72 1.00 0.00 -2.00 0.00 0.00 41.25 41.07 2cuw s ASN 52 CO 0.84 -1.34 1.94 0.25 -2.94 0.00 0.00 177.10 175.85 2cuw h LEU 53 N 2.02 0.42 -0.29 3.54 5.85 -1.99 -0.50 115.31 124.37 2cuw h LEU 53 Ca -0.20 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2cuw h LEU 53 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2cuw h LEU 53 CO 0.24 0.24 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.28 2cuw h LEU 54 N 0.46 0.70 -1.09 2.25 4.07 -2.00 -2.12 115.31 117.58 2cuw h LEU 54 Ca 0.34 -0.45 -0.09 0.00 0.08 0.00 0.00 57.88 57.75 2cuw h LEU 54 Cb 0.68 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2cuw h LEU 54 CO -0.11 1.00 -0.42 -0.08 -1.08 0.00 0.00 178.44 177.75 2cuw h GLU 55 N 0.40 0.07 -0.11 1.13 4.81 -1.78 -2.39 114.58 116.70 2cuw h GLU 55 Ca 0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2cuw h GLU 55 Cb 0.79 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2cuw h GLU 55 CO 0.06 0.48 0.02 0.00 -0.73 0.00 0.00 179.01 178.84 2cuw h ALA 56 N 1.52 0.15 -0.47 2.92 0.00 -0.97 -0.82 119.26 121.59 2cuw h ALA 56 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2cuw h ALA 56 Cb 0.77 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2cuw h ALA 56 CO 0.06 -0.19 0.25 1.49 0.00 0.00 0.00 179.25 180.86 2cuw h GLU 57 N -0.05 0.49 -0.02 0.00 4.81 -1.23 0.33 114.58 118.91 2cuw h GLU 57 Ca 0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2cuw h GLU 57 Cb 0.30 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2cuw h GLU 57 CO 0.00 0.32 -0.32 0.93 -0.73 0.00 0.00 179.01 179.21 2cuw h GLU 58 N 0.50 -0.44 -0.63 1.92 5.08 -1.24 0.17 114.58 119.95 2cuw h GLU 58 Ca 0.20 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 2cuw h GLU 58 Cb 0.08 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2cuw h GLU 58 CO -0.12 -0.29 0.42 0.87 -1.00 0.00 0.00 179.01 178.88 2cuw h LYS 59 N -0.46 0.82 -0.30 2.33 1.57 -0.67 -1.39 116.57 118.47 2cuw h LYS 59 Ca 0.07 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2cuw h LYS 59 Cb 0.56 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2cuw h LYS 59 CO -0.28 0.54 0.04 0.00 -0.57 0.00 0.00 179.45 179.18 2cuw h ALA 60 N 1.23 0.30 -0.91 3.86 0.00 0.32 -1.94 119.26 122.13 2cuw h ALA 60 Ca 0.23 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2cuw h ALA 60 Cb -0.09 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2cuw h ALA 60 CO -0.05 -0.37 0.56 0.87 0.00 0.00 0.00 179.25 180.26 2cuw h LYS 61 N 0.14 1.22 -0.65 0.00 1.57 -0.30 -1.70 116.57 116.86 2cuw h LYS 61 Ca 0.14 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2cuw h LYS 61 Cb 0.17 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2cuw h LYS 61 CO -0.21 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 2cuw n ALA 62 N -2.37 1.13 0.00 3.86 0.00 -0.56 -0.90 120.51 121.67 2cuw n ALA 62 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2cuw n ALA 62 Cb 0.05 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2cuw n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuw n GLY 64 N 0.65 0.00 0.23 0.00 0.00 -0.64 -1.83 105.19 103.60 2cuw n GLY 64 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2cuw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuw h ALA 65 N 0.00 1.61 0.07 4.61 0.00 -1.29 -1.26 119.26 123.00 2cuw h ALA 65 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.51 2cuw h ALA 65 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2cuw h ALA 65 CO 0.00 0.21 -1.09 1.25 0.00 0.00 0.00 179.25 179.62 2cuw h LEU 66 N 0.00 0.38 0.00 0.00 6.46 -1.62 -3.32 115.31 117.22 2cuw h LEU 66 Ca -0.00 -0.37 -0.05 0.00 -0.12 0.00 0.00 57.88 57.35 2cuw h LEU 66 Cb 0.32 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 2cuw h LEU 66 CO 0.02 1.23 -0.56 -0.07 -0.62 0.00 0.00 178.44 178.44 2cuw h LEU 67 N 0.11 0.00 -9.28 2.25 3.38 -1.73 -3.46 115.31 106.58 2cuw h LEU 67 Ca -0.09 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 2cuw h LEU 67 Cb 1.78 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.47 2cuw h LEU 67 CO 0.18 0.20 0.17 0.00 0.09 0.00 0.00 178.44 179.07 2cuw s ALA 68 N -3.15 3.40 -0.29 1.53 0.00 -0.52 -5.01 121.76 117.72 2cuw s ALA 68 Ca 0.03 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2cuw s ALA 68 Cb 0.07 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 2cuw s ALA 68 CO 0.74 -0.30 1.45 1.21 0.00 0.00 0.00 175.76 178.86 2cuw s ASN 69 N 0.94 6.49 0.32 0.00 3.84 -1.26 -4.90 114.94 120.37 2cuw s ASN 69 Ca 0.37 1.31 0.07 0.00 0.21 0.00 0.00 52.86 54.81 2cuw s ASN 69 Cb -0.17 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.89 2cuw s ASN 69 CO 0.16 -1.22 1.58 -0.65 -2.79 0.00 0.00 177.10 174.18 2cuw h PRO 70 N 10.16 0.02 -0.09 0.43 0.11 -1.95 0.40 132.00 141.08 2cuw h PRO 70 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2cuw h PRO 70 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2cuw h PRO 70 CO 1.03 0.01 0.00 0.28 -0.21 0.00 0.00 178.00 179.11 2cuw n VAL 71 N -5.42 0.12 -0.68 3.15 0.31 -1.26 -4.95 118.33 109.60 2cuw n VAL 71 Ca 0.27 -0.14 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 2cuw n VAL 71 Cb 0.89 0.01 0.02 0.00 -0.91 0.00 0.00 33.84 33.84 2cuw n VAL 71 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cuw n GLU 73 N -0.27 0.00 -4.06 5.55 1.02 0.14 -4.90 120.64 118.12 2cuw n GLU 73 Ca 0.10 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 2cuw n GLU 73 Cb 0.13 -0.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.74 2cuw n GLU 73 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2cuw s VAL 74 N -1.41 0.47 0.41 2.62 -7.23 -0.23 -4.58 120.40 110.45 2cuw s VAL 74 Ca 0.22 -1.16 0.07 0.00 -1.81 0.00 0.00 61.98 59.31 2cuw s VAL 74 Cb 0.07 -0.68 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 2cuw s VAL 74 CO 0.40 -0.47 0.21 -0.72 -0.31 0.00 0.00 175.10 174.21 2cuw s TYR 75 N -1.69 2.64 -0.23 2.82 -0.85 -1.26 -1.44 117.35 117.34 2cuw s TYR 75 Ca -0.08 -0.55 -0.11 0.00 -0.52 0.00 0.00 57.07 55.81 2cuw s TYR 75 Cb -0.08 -1.96 0.08 0.00 0.38 0.00 0.00 41.96 40.37 2cuw s TYR 75 CO -0.01 0.15 0.53 0.00 -1.52 0.00 0.00 175.55 174.70 2cuw s ALA 76 N -2.56 -1.46 -0.97 9.51 0.00 -0.12 -4.96 121.76 121.20 2cuw s ALA 76 Ca 0.42 1.92 -0.22 0.00 0.00 0.00 0.00 51.96 54.08 2cuw s ALA 76 Cb 0.02 -1.25 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2cuw s ALA 76 CO 0.24 -0.45 1.36 -1.17 0.00 0.00 0.00 175.76 175.73 2cuw s LEU 77 N 1.83 3.84 0.27 0.00 2.96 -1.26 -1.03 118.68 125.28 2cuw s LEU 77 Ca -0.08 -1.50 0.01 0.00 -0.22 0.00 0.00 54.13 52.33 2cuw s LEU 77 Cb -0.08 -2.53 0.36 0.00 0.50 0.00 0.00 46.19 44.44 2cuw s LEU 77 CO -0.16 -1.43 1.71 -0.08 -1.32 0.00 0.00 176.35 175.07 2cuw h GLU 78 N 9.60 0.58 -2.41 1.98 4.57 -1.06 -3.46 114.58 124.38 2cuw h GLU 78 Ca 0.15 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2cuw h GLU 78 Cb 1.02 -0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.39 2cuw h GLU 78 CO 1.34 0.75 0.11 0.00 -1.18 0.00 0.00 179.01 180.03 2cuw s ALA 79 N -4.60 -1.54 -0.17 2.92 0.00 -1.13 -4.98 121.76 112.27 2cuw s ALA 79 Ca -0.08 0.95 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 2cuw s ALA 79 Cb 0.14 0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.53 2cuw s ALA 79 CO 0.80 -0.43 0.37 -1.17 0.00 0.00 0.00 175.76 175.32 2cuw s LEU 80 N -1.57 -0.37 0.01 0.00 2.96 -1.26 0.16 118.68 118.61 2cuw s LEU 80 Ca -0.09 0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 54.56 2cuw s LEU 80 Cb -0.01 1.14 0.01 0.00 0.50 0.00 0.00 46.19 47.84 2cuw s LEU 80 CO 0.04 -0.22 0.21 -1.59 -1.32 0.00 0.00 176.35 173.47 2cuw s LYS 81 N 2.22 0.59 0.34 1.98 -2.85 -0.89 -4.98 119.74 116.15 2cuw s LYS 81 Ca -0.03 -0.39 -0.26 0.00 -1.00 0.00 0.00 55.97 54.29 2cuw s LYS 81 Cb -0.11 0.25 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 2cuw s LYS 81 CO -0.11 -0.16 1.06 -2.00 0.10 0.00 0.00 175.35 174.23 2cuw s GLU 82 N -1.64 4.40 0.15 1.78 2.12 -1.26 -1.15 118.70 123.09 2cuw s GLU 82 Ca -0.12 1.61 0.03 0.00 0.36 0.00 0.00 54.97 56.84 2cuw s GLU 82 Cb -0.05 -2.84 -0.04 0.00 0.26 0.00 0.00 34.13 31.46 2cuw s GLU 82 CO 0.01 0.05 0.28 -0.51 -0.54 0.00 0.00 175.26 174.55 2cuw s LEU 83 N -2.08 4.32 0.00 2.70 1.43 0.22 -4.88 118.68 120.39 2cuw s LEU 83 Ca 0.51 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2cuw s LEU 83 Cb -0.26 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2cuw s LEU 83 CO 0.33 0.06 0.42 -2.65 0.23 0.00 0.00 176.35 174.73