#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 0.77 -0.19 1.61 4.04 0.09 -4.95 118.70 120.07 1le3 s GLU 42 Ca 0.00 -1.27 -0.14 0.00 0.04 0.00 0.00 54.97 53.59 1le3 s GLU 42 Cb 0.00 -0.13 -0.04 0.00 0.02 0.00 0.00 34.13 33.98 1le3 s GLU 42 CO 0.00 -0.03 0.33 -1.58 -1.84 0.00 0.00 175.26 172.14 1le3 s TRP 43 N -3.53 3.40 -0.01 4.83 0.52 -1.26 -0.45 118.94 122.45 1le3 s TRP 43 Ca 0.09 0.57 0.02 0.00 0.02 0.00 0.00 56.10 56.80 1le3 s TRP 43 Cb 0.05 -2.42 -0.00 0.00 -1.15 0.00 0.00 33.47 29.94 1le3 s TRP 43 CO -0.05 0.10 -0.06 0.99 0.02 0.00 0.00 176.95 177.94 1le3 s THR 44 N 0.92 0.52 0.27 2.01 2.01 0.04 -4.98 115.64 116.43 1le3 s THR 44 Ca 0.17 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.70 1le3 s THR 44 Cb -0.14 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 1le3 s THR 44 CO 0.06 0.15 0.77 0.86 -0.69 0.00 0.00 174.62 175.77 1le3 s TRP 45 N -0.10 3.58 -0.33 4.92 -0.11 -1.26 -0.47 118.94 125.18 1le3 s TRP 45 Ca 0.02 1.43 -0.01 0.00 1.22 0.00 0.00 56.10 58.75 1le3 s TRP 45 Cb -0.03 -2.66 0.13 0.00 -1.50 0.00 0.00 33.47 29.41 1le3 s TRP 45 CO -0.00 0.25 0.19 0.34 -4.62 0.00 0.00 176.95 173.11 1le3 s ASP 46 N -1.79 3.05 0.58 5.86 2.15 0.28 -4.91 116.67 121.90 1le3 s ASP 46 Ca 0.47 -1.86 0.28 0.00 0.43 0.00 0.00 52.55 51.87 1le3 s ASP 46 Cb -0.15 -0.33 1.75 0.00 -0.30 0.00 0.00 42.92 43.89 1le3 s ASP 46 CO 0.20 -0.35 2.24 -0.78 -0.17 0.00 0.00 175.17 176.31 1le3 h ASP 47 N 7.47 0.00 0.21 -0.34 3.58 -1.93 0.33 116.42 125.74 1le3 h ASP 47 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1le3 h ASP 47 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1le3 h ASP 47 CO 0.31 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 1le3 n ALA 48 N -2.35 1.24 0.00 -0.78 0.00 -1.26 -3.04 120.51 114.33 1le3 n ALA 48 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1le3 n ALA 48 Cb 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1le3 n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1le3 n THR 49 N -1.84 0.00 -2.78 0.00 -1.04 -1.06 -5.07 114.28 102.50 1le3 n THR 49 Ca 0.01 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 1le3 n THR 49 Cb 0.08 0.73 0.05 0.00 -1.82 0.00 0.00 70.33 69.38 1le3 n THR 49 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1le3 n LYS 50 N -0.10 -2.02 -4.14 -2.82 5.02 0.11 -5.08 118.16 109.14 1le3 n LYS 50 Ca 0.00 0.61 -0.15 0.00 -2.02 0.00 0.00 58.31 56.75 1le3 n LYS 50 Cb 0.00 -4.61 -0.06 0.00 -0.02 0.00 0.00 35.03 30.34 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 -3.27 0.00 -0.25 -0.18 -1.32 -0.83 -4.97 115.64 104.82 1le3 s THR 51 Ca 0.28 -1.72 -0.12 0.00 -1.21 0.00 0.00 61.69 58.92 1le3 s THR 51 Cb -0.04 -2.56 -0.05 0.00 -1.51 0.00 0.00 72.50 68.34 1le3 s THR 51 CO 0.52 0.00 0.23 0.26 -2.21 0.00 0.00 174.62 173.43 1le3 s TRP 52 N -3.32 3.28 0.09 9.09 0.52 -1.26 -0.55 118.94 126.79 1le3 s TRP 52 Ca 0.33 0.27 0.08 0.00 0.02 0.00 0.00 56.10 56.81 1le3 s TRP 52 Cb 0.01 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1le3 s TRP 52 CO 0.20 -0.06 -0.17 0.99 0.02 0.00 0.00 176.95 177.93 1le3 s THR 53 N 1.47 2.87 -0.01 2.01 2.01 0.38 -4.95 115.64 119.43 1le3 s THR 53 Ca 0.10 -1.40 -0.16 0.00 0.31 0.00 0.00 61.69 60.54 1le3 s THR 53 Cb -0.15 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 70.02 1le3 s THR 53 CO 0.08 0.17 0.45 0.86 -0.69 0.00 0.00 174.62 175.48 1le3 s TRP 54 N -1.09 3.71 -0.48 4.92 -0.11 -1.26 -0.78 118.94 123.85 1le3 s TRP 54 Ca 0.17 1.03 0.03 0.00 1.22 0.00 0.00 56.10 58.55 1le3 s TRP 54 Cb -0.11 -2.37 0.13 0.00 -1.50 0.00 0.00 33.47 29.63 1le3 s TRP 54 CO 0.09 0.56 0.24 0.99 -4.62 0.00 0.00 176.95 174.21 1le3 s THR 55 N -0.82 2.11 -2.00 5.86 2.01 0.41 -4.96 115.64 118.25 1le3 s THR 55 Ca 0.25 -2.97 0.17 0.00 0.31 0.00 0.00 61.69 59.45 1le3 s THR 55 Cb -0.17 -2.48 0.49 0.00 0.01 0.00 0.00 72.50 70.35 1le3 s THR 55 CO 0.14 -0.82 1.43 1.21 -0.69 0.00 0.00 174.62 175.88