#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 1.03 -0.12 1.61 4.04 -0.34 -4.99 118.70 119.93 1le3 s GLU 42 Ca 0.00 -1.16 -0.07 0.00 0.04 0.00 0.00 54.97 53.78 1le3 s GLU 42 Cb 0.00 0.35 -0.04 0.00 0.02 0.00 0.00 34.13 34.46 1le3 s GLU 42 CO 0.00 -0.35 0.14 -1.58 -1.84 0.00 0.00 175.26 171.62 1le3 s TRP 43 N -3.95 3.58 0.13 4.83 0.52 -1.26 -0.53 118.94 122.26 1le3 s TRP 43 Ca 0.15 0.51 -0.00 0.00 0.02 0.00 0.00 56.10 56.78 1le3 s TRP 43 Cb 0.04 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.37 1le3 s TRP 43 CO -0.03 0.71 0.03 -0.08 0.02 0.00 0.00 176.95 177.60 1le3 s THR 44 N -0.95 0.27 0.41 2.01 -1.32 0.14 -4.95 115.64 111.25 1le3 s THR 44 Ca 0.15 -1.92 -0.22 0.00 -1.21 0.00 0.00 61.69 58.49 1le3 s THR 44 Cb -0.12 -2.02 -0.11 0.00 -1.51 0.00 0.00 72.50 68.75 1le3 s THR 44 CO 0.04 -0.52 0.95 0.86 -2.21 0.00 0.00 174.62 173.74 1le3 s TRP 45 N -3.93 3.37 -0.31 9.09 -0.11 -1.26 -0.14 118.94 125.65 1le3 s TRP 45 Ca 0.22 1.64 -0.02 0.00 1.22 0.00 0.00 56.10 59.17 1le3 s TRP 45 Cb 0.07 -2.88 0.11 0.00 -1.50 0.00 0.00 33.47 29.28 1le3 s TRP 45 CO 0.01 -0.08 0.15 0.34 -4.62 0.00 0.00 176.95 172.76 1le3 s ASP 46 N -2.05 3.41 0.63 5.86 2.15 -0.39 -4.88 116.67 121.39 1le3 s ASP 46 Ca 0.60 -1.63 0.33 0.00 0.43 0.00 0.00 52.55 52.28 1le3 s ASP 46 Cb -0.11 -0.42 1.81 0.00 -0.30 0.00 0.00 42.92 43.89 1le3 s ASP 46 CO 0.16 -0.39 2.01 -2.24 -0.17 0.00 0.00 175.17 174.53 1le3 h ASP 47 N 7.91 0.00 1.13 -0.34 2.03 -1.96 0.23 116.42 125.43 1le3 h ASP 47 Ca -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1le3 h ASP 47 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1le3 h ASP 47 CO 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.60 1le3 n ALA 48 N -1.92 2.24 0.01 4.15 0.00 -1.26 -3.50 120.51 120.22 1le3 n ALA 48 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1le3 n ALA 48 Cb 0.26 -1.45 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.81 0.00 -3.90 0.00 -1.04 -0.09 -5.04 114.28 102.40 1le3 n THR 49 Ca 0.06 -0.36 -0.25 0.00 -2.04 0.00 0.00 64.05 61.46 1le3 n THR 49 Cb 0.36 0.86 -0.01 0.00 -1.82 0.00 0.00 70.33 69.72 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 -1.14 -3.81 -4.01 -2.82 5.02 0.63 -5.01 118.16 107.03 1le3 n LYS 50 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 58.31 56.65 1le3 n LYS 50 Cb 0.00 -4.77 -0.05 0.00 -0.02 0.00 0.00 35.03 30.20 1le3 n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1le3 s THR 51 N -3.82 0.00 -0.36 -0.18 2.01 -1.21 -5.02 115.64 107.07 1le3 s THR 51 Ca 0.07 -1.43 -0.13 0.00 0.31 0.00 0.00 61.69 60.51 1le3 s THR 51 Cb -0.04 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1le3 s THR 51 CO 0.87 0.00 0.25 0.26 -0.69 0.00 0.00 174.62 175.31 1le3 s TRP 52 N -3.67 3.23 0.29 4.92 0.52 -1.26 -1.27 118.94 121.70 1le3 s TRP 52 Ca 0.24 -0.30 0.11 0.00 0.02 0.00 0.00 56.10 56.17 1le3 s TRP 52 Cb -0.01 -2.50 -0.05 0.00 -1.15 0.00 0.00 33.47 29.76 1le3 s TRP 52 CO 0.12 -0.41 -0.10 -0.08 0.02 0.00 0.00 176.95 176.49 1le3 s THR 53 N 1.71 2.79 -0.13 2.01 -1.32 0.80 -4.87 115.64 116.64 1le3 s THR 53 Ca 0.06 -2.18 -0.07 0.00 -1.21 0.00 0.00 61.69 58.28 1le3 s THR 53 Cb -0.18 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.21 1le3 s THR 53 CO 0.10 -0.35 0.14 0.86 -2.21 0.00 0.00 174.62 173.16 1le3 s TRP 54 N -2.46 3.58 -0.08 9.09 -0.11 -1.26 -0.68 118.94 127.02 1le3 s TRP 54 Ca 0.31 0.52 0.01 0.00 1.22 0.00 0.00 56.10 58.16 1le3 s TRP 54 Cb -0.04 -1.97 0.02 0.00 -1.50 0.00 0.00 33.47 29.98 1le3 s TRP 54 CO 0.17 0.70 -0.10 0.99 -4.62 0.00 0.00 176.95 174.09 1le3 s THR 55 N -0.90 1.01 0.00 5.86 2.01 0.31 -4.98 115.64 118.95 1le3 s THR 55 Ca 0.15 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1le3 s THR 55 Cb -0.12 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1le3 s THR 55 CO 0.04 0.34 0.00 1.21 -0.69 0.00 0.00 174.62 175.52