#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1le3 s GLU 42 N 0.00 1.73 -0.15 1.61 1.03 0.06 -4.99 118.70 118.00 1le3 s GLU 42 Ca 0.00 -1.70 -0.00 0.00 0.03 0.00 0.00 54.97 53.30 1le3 s GLU 42 Cb 0.00 0.41 -0.01 0.00 -0.80 0.00 0.00 34.13 33.73 1le3 s GLU 42 CO 0.00 -0.69 -0.13 -1.58 -1.33 0.00 0.00 175.26 171.53 1le3 s TRP 43 N -3.41 2.82 0.34 4.83 0.52 -1.26 -1.26 118.94 121.52 1le3 s TRP 43 Ca 0.32 -0.83 0.09 0.00 0.02 0.00 0.00 56.10 55.70 1le3 s TRP 43 Cb 0.01 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.39 1le3 s TRP 43 CO 0.18 -0.35 0.08 0.95 0.02 0.00 0.00 176.95 177.84 1le3 s THR 44 N 0.65 2.81 -0.16 2.01 -4.23 0.19 -4.97 115.64 111.94 1le3 s THR 44 Ca -0.07 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1le3 s THR 44 Cb -0.15 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1le3 s THR 44 CO 0.02 -0.18 0.09 0.86 -0.54 0.00 0.00 174.62 174.87 1le3 s TRP 45 N -2.48 3.37 -0.71 3.99 -0.11 -1.26 -0.16 118.94 121.58 1le3 s TRP 45 Ca 0.36 0.26 0.03 0.00 1.22 0.00 0.00 56.10 57.98 1le3 s TRP 45 Cb -0.01 -2.03 0.17 0.00 -1.50 0.00 0.00 33.47 30.10 1le3 s TRP 45 CO 0.21 0.37 0.51 0.34 -4.62 0.00 0.00 176.95 173.76 1le3 s ASP 46 N -0.12 5.01 0.30 5.86 -1.08 -0.23 -4.91 116.67 121.49 1le3 s ASP 46 Ca 0.08 -3.65 0.06 0.00 -0.52 0.00 0.00 52.55 48.53 1le3 s ASP 46 Cb -0.12 -1.71 0.81 0.00 -1.46 0.00 0.00 42.92 40.44 1le3 s ASP 46 CO 0.01 -0.14 1.68 -0.78 0.52 0.00 0.00 175.17 176.46 1le3 h ASP 47 N 5.78 0.32 0.16 -0.34 3.58 -1.96 0.21 116.42 124.17 1le3 h ASP 47 Ca 0.10 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.72 1le3 h ASP 47 Cb 0.80 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1le3 h ASP 47 CO 0.74 -0.05 0.00 0.00 -2.88 0.00 0.00 179.24 177.05 1le3 n ALA 48 N -2.49 1.58 0.00 -0.78 0.00 -1.26 -2.54 120.51 115.02 1le3 n ALA 48 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1le3 n ALA 48 Cb 0.73 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1le3 n ALA 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1le3 n THR 49 N -1.28 0.00 -3.74 0.00 -2.24 -0.13 -5.07 114.28 101.82 1le3 n THR 49 Ca 0.04 -0.09 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 1le3 n THR 49 Cb 0.07 0.50 0.02 0.00 -2.10 0.00 0.00 70.33 68.83 1le3 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1le3 n LYS 50 N -0.88 -2.96 -4.10 -0.78 5.02 -0.13 -5.03 118.16 109.31 1le3 n LYS 50 Ca 0.00 0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 56.66 1le3 n LYS 50 Cb 0.00 -4.64 -0.05 0.00 -0.02 0.00 0.00 35.03 30.32 1le3 n LYS 50 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1le3 s THR 51 N -3.66 0.00 -0.09 -0.18 -1.32 -1.23 -5.02 115.64 104.14 1le3 s THR 51 Ca 0.20 -1.63 -0.10 0.00 -1.21 0.00 0.00 61.69 58.95 1le3 s THR 51 Cb -0.07 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.28 1le3 s THR 51 CO 0.85 0.00 0.23 0.26 -2.21 0.00 0.00 174.62 173.75 1le3 s TRP 52 N -3.19 3.63 -0.07 9.09 0.52 -1.26 -1.07 118.94 126.59 1le3 s TRP 52 Ca 0.31 0.68 -0.00 0.00 0.02 0.00 0.00 56.10 57.10 1le3 s TRP 52 Cb 0.00 -2.08 0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1le3 s TRP 52 CO 0.20 0.67 -0.03 0.99 0.02 0.00 0.00 176.95 178.80 1le3 s THR 53 N -0.94 0.56 0.32 2.01 2.01 0.78 -4.92 115.64 115.47 1le3 s THR 53 Ca 0.18 -0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.86 1le3 s THR 53 Cb -0.14 -0.65 -0.09 0.00 0.01 0.00 0.00 72.50 71.63 1le3 s THR 53 CO 0.07 0.27 1.12 0.86 -0.69 0.00 0.00 174.62 176.25 1le3 s TRP 54 N 1.61 3.41 0.02 4.92 -0.11 -1.26 -0.64 118.94 126.89 1le3 s TRP 54 Ca 0.00 1.65 -0.01 0.00 1.22 0.00 0.00 56.10 58.96 1le3 s TRP 54 Cb -0.13 -3.30 -0.02 0.00 -1.50 0.00 0.00 33.47 28.52 1le3 s TRP 54 CO -0.04 -0.77 -0.01 -0.08 -4.62 0.00 0.00 176.95 171.43 1le3 s THR 55 N -1.29 0.12 -0.71 5.86 -1.32 -0.39 -4.94 115.64 112.97 1le3 s THR 55 Ca 0.49 -1.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.02 1le3 s THR 55 Cb -0.31 -0.46 0.05 0.00 -1.51 0.00 0.00 72.50 70.27 1le3 s THR 55 CO 0.39 -0.55 0.68 -0.62 -2.21 0.00 0.00 174.62 172.31