#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 1.29 -0.11 1.61 -1.05 0.68 -4.98 118.70 116.14 1le3 s GLU 42 Ca 0.00 -1.69 -0.11 0.00 -0.15 0.00 0.00 54.97 53.02 1le3 s GLU 42 Cb 0.00 0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1le3 s GLU 42 CO 0.00 -0.38 0.23 -1.58 0.95 0.00 0.00 175.26 174.48 1le3 s TRP 43 N -4.01 3.57 0.14 4.83 0.52 -1.26 -0.53 118.94 122.21 1le3 s TRP 43 Ca 0.39 0.62 0.07 0.00 0.02 0.00 0.00 56.10 57.20 1le3 s TRP 43 Cb 0.07 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.21 1le3 s TRP 43 CO 0.13 0.54 -0.16 0.95 0.02 0.00 0.00 176.95 178.43 1le3 s THR 44 N -0.48 1.58 -0.07 2.01 -4.23 0.76 -4.96 115.64 110.25 1le3 s THR 44 Ca 0.16 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 58.74 1le3 s THR 44 Cb -0.13 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.97 1le3 s THR 44 CO 0.05 -0.36 0.32 0.86 -0.54 0.00 0.00 174.62 174.95 1le3 s TRP 45 N -2.07 3.64 -0.58 3.99 -0.11 -1.26 -0.06 118.94 122.49 1le3 s TRP 45 Ca 0.12 0.79 0.04 0.00 1.22 0.00 0.00 56.10 58.27 1le3 s TRP 45 Cb -0.05 -2.21 0.16 0.00 -1.50 0.00 0.00 33.47 29.86 1le3 s TRP 45 CO 0.05 0.58 0.38 0.34 -4.62 0.00 0.00 176.95 173.68 1le3 s ASP 46 N -0.71 3.96 0.30 5.86 -1.08 0.41 -4.92 116.67 120.49 1le3 s ASP 46 Ca 0.20 -3.36 0.06 0.00 -0.52 0.00 0.00 52.55 48.93 1le3 s ASP 46 Cb -0.15 -1.32 0.77 0.00 -1.46 0.00 0.00 42.92 40.76 1le3 s ASP 46 CO 0.09 -0.16 1.74 -2.24 0.52 0.00 0.00 175.17 175.12 1le3 h ASP 47 N 5.87 0.63 -0.13 -0.34 3.04 -1.94 -0.91 116.42 122.64 1le3 h ASP 47 Ca 0.10 0.12 0.04 0.00 -3.24 0.00 0.00 57.03 54.05 1le3 h ASP 47 Cb 0.83 0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.15 1le3 h ASP 47 CO 0.61 0.15 0.27 0.00 -2.04 0.00 0.00 179.24 178.23 1le3 h ALA 48 N 1.68 1.56 0.00 4.15 0.00 -1.96 -2.19 119.26 122.50 1le3 h ALA 48 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1le3 h ALA 48 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1le3 h ALA 48 CO -0.45 -0.33 0.00 0.25 0.00 0.00 0.00 179.25 178.72 1le3 n THR 49 N -3.32 0.43 -3.81 0.00 -2.24 -0.60 -5.03 114.28 99.70 1le3 n THR 49 Ca 0.01 -0.64 -0.25 0.00 -2.27 0.00 0.00 64.05 60.90 1le3 n THR 49 Cb 0.36 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.21 -0.92 -4.26 -0.78 5.02 -0.45 -4.97 118.16 111.59 1le3 n LYS 50 Ca 0.00 0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 1le3 n LYS 50 Cb 0.17 -2.80 -0.09 0.00 -0.02 0.00 0.00 35.03 32.29 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 -3.73 0.08 -0.16 -0.18 -1.32 -1.04 -4.98 115.64 104.32 1le3 s THR 51 Ca 0.13 -2.00 -0.12 0.00 -1.21 0.00 0.00 61.69 58.49 1le3 s THR 51 Cb -0.08 -2.51 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1le3 s THR 51 CO 0.74 0.00 0.23 0.26 -2.21 0.00 0.00 174.62 173.63 1le3 s TRP 52 N -3.81 3.47 0.30 9.09 0.52 -1.26 -0.45 118.94 126.80 1le3 s TRP 52 Ca 0.39 0.52 0.11 0.00 0.02 0.00 0.00 56.10 57.13 1le3 s TRP 52 Cb 0.05 -2.24 -0.06 0.00 -1.15 0.00 0.00 33.47 30.08 1le3 s TRP 52 CO 0.18 0.32 -0.16 0.95 0.02 0.00 0.00 176.95 178.27 1le3 s THR 53 N 0.21 2.41 -0.09 2.01 -4.23 0.92 -4.95 115.64 111.92 1le3 s THR 53 Ca 0.14 -2.32 -0.01 0.00 -1.18 0.00 0.00 61.69 58.31 1le3 s THR 53 Cb -0.12 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1le3 s THR 53 CO 0.02 -0.33 -0.03 0.86 -0.54 0.00 0.00 174.62 174.61 1le3 s TRP 54 N -2.54 3.06 -0.05 3.99 -0.11 -1.26 -0.17 118.94 121.86 1le3 s TRP 54 Ca 0.31 0.08 -0.02 0.00 1.22 0.00 0.00 56.10 57.69 1le3 s TRP 54 Cb -0.02 -1.78 0.03 0.00 -1.50 0.00 0.00 33.47 30.20 1le3 s TRP 54 CO 0.16 0.36 0.08 0.99 -4.62 0.00 0.00 176.95 173.92 1le3 s THR 55 N -0.72 -0.12 0.00 5.86 2.01 0.31 -4.93 115.64 118.06 1le3 s THR 55 Ca 0.11 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1le3 s THR 55 Cb -0.11 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1le3 s THR 55 CO 0.02 0.14 0.20 1.21 -0.69 0.00 0.00 174.62 175.50