#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 1.51 -0.08 1.61 -1.05 -0.95 -5.00 118.70 114.74 1le3 s GLU 42 Ca 0.00 -1.85 -0.02 0.00 -0.15 0.00 0.00 54.97 52.95 1le3 s GLU 42 Cb 0.00 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 1le3 s GLU 42 CO 0.00 -0.47 0.03 -1.58 0.95 0.00 0.00 175.26 174.18 1le3 s TRP 43 N -3.73 3.22 -0.11 4.83 0.52 -1.26 -0.99 118.94 121.43 1le3 s TRP 43 Ca 0.38 0.24 -0.00 0.00 0.02 0.00 0.00 56.10 56.73 1le3 s TRP 43 Cb 0.05 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.60 1le3 s TRP 43 CO 0.18 0.51 -0.07 0.99 0.02 0.00 0.00 176.95 178.58 1le3 s THR 44 N -0.93 0.99 0.31 2.01 2.01 0.77 -4.94 115.64 115.85 1le3 s THR 44 Ca 0.14 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 1le3 s THR 44 Cb -0.11 -1.01 -0.11 0.00 0.01 0.00 0.00 72.50 71.28 1le3 s THR 44 CO 0.04 0.36 1.46 0.86 -0.69 0.00 0.00 174.62 176.64 1le3 s TRP 45 N 1.69 2.86 -0.57 4.92 -0.11 -1.26 -0.13 118.94 126.34 1le3 s TRP 45 Ca 0.04 1.09 0.04 0.00 1.22 0.00 0.00 56.10 58.49 1le3 s TRP 45 Cb -0.13 -3.89 0.15 0.00 -1.50 0.00 0.00 33.47 28.10 1le3 s TRP 45 CO -0.08 -2.77 0.35 0.34 -4.62 0.00 0.00 176.95 170.17 1le3 s ASP 46 N 0.09 4.15 0.20 5.86 2.15 0.30 -4.88 116.67 124.54 1le3 s ASP 46 Ca 0.56 -3.27 0.12 0.00 0.43 0.00 0.00 52.55 50.39 1le3 s ASP 46 Cb -0.44 -1.42 0.65 0.00 -0.30 0.00 0.00 42.92 41.40 1le3 s ASP 46 CO 0.51 -0.18 1.32 -0.67 -0.17 0.00 0.00 175.17 175.99 1le3 n ASP 47 N 2.72 0.31 0.16 -0.34 2.03 -1.26 -0.71 116.55 119.46 1le3 n ASP 47 Ca 0.13 0.60 0.12 0.00 0.52 0.00 0.00 54.79 56.17 1le3 n ASP 47 Cb 0.35 -0.62 0.59 0.00 -0.72 0.00 0.00 41.12 40.72 1le3 n ASP 47 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1le3 h ALA 48 N 1.75 1.00 0.00 -1.67 0.00 -1.94 -3.26 119.26 115.14 1le3 h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1le3 h ALA 48 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1le3 h ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 179.25 181.66 1le3 n THR 49 N -2.33 0.00 -2.25 0.00 -1.04 0.11 -5.02 114.28 103.75 1le3 n THR 49 Ca -0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.85 1le3 n THR 49 Cb 0.12 1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 70.51 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 0.00 -1.90 -3.85 -2.82 4.01 -0.45 -5.02 118.16 108.13 1le3 n LYS 50 Ca 0.00 0.78 -0.22 0.00 -0.51 0.00 0.00 58.31 58.36 1le3 n LYS 50 Cb 0.26 -5.35 -0.05 0.00 -0.51 0.00 0.00 35.03 29.38 1le3 n LYS 50 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1le3 s THR 51 N -2.69 2.67 -0.03 -0.18 -4.23 -1.17 -4.97 115.64 105.03 1le3 s THR 51 Ca 0.00 -1.51 -0.08 0.00 -1.18 0.00 0.00 61.69 58.92 1le3 s THR 51 Cb 0.00 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 1le3 s THR 51 CO 0.00 -0.04 0.24 0.26 -0.54 0.00 0.00 174.62 174.54 1le3 s TRP 52 N -2.49 3.61 0.03 3.99 0.52 -1.26 -0.54 118.94 122.79 1le3 s TRP 52 Ca 0.44 0.61 0.09 0.00 0.02 0.00 0.00 56.10 57.25 1le3 s TRP 52 Cb -0.01 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1le3 s TRP 52 CO 0.25 0.66 -0.25 0.95 0.02 0.00 0.00 176.95 178.58 1le3 s THR 53 N -1.18 2.22 -0.21 2.01 -4.23 0.82 -4.90 115.64 110.16 1le3 s THR 53 Ca 0.23 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.33 1le3 s THR 53 Cb -0.13 -1.85 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 1le3 s THR 53 CO 0.12 0.42 0.26 0.86 -0.54 0.00 0.00 174.62 175.74 1le3 s TRP 54 N -0.77 3.37 -0.29 3.99 -0.11 -1.26 -0.16 118.94 123.70 1le3 s TRP 54 Ca 0.12 0.44 -0.03 0.00 1.22 0.00 0.00 56.10 57.85 1le3 s TRP 54 Cb -0.10 -2.36 0.04 0.00 -1.50 0.00 0.00 33.47 29.55 1le3 s TRP 54 CO 0.02 0.10 0.02 0.99 -4.62 0.00 0.00 176.95 173.45 1le3 s THR 55 N 0.94 3.24 -0.68 5.86 2.01 -0.16 -4.97 115.64 121.88 1le3 s THR 55 Ca 0.13 -1.16 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1le3 s THR 55 Cb -0.14 -2.78 0.04 0.00 0.01 0.00 0.00 72.50 69.64 1le3 s THR 55 CO 0.05 -0.02 0.67 -1.84 -0.69 0.00 0.00 174.62 172.79