#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 0.93 -0.12 1.61 1.03 -0.67 -5.00 118.70 116.48 1le3 s GLU 42 Ca 0.00 -1.42 -0.07 0.00 0.03 0.00 0.00 54.97 53.51 1le3 s GLU 42 Cb 0.00 0.25 -0.04 0.00 -0.80 0.00 0.00 34.13 33.54 1le3 s GLU 42 CO 0.00 -0.26 0.14 -1.58 -1.33 0.00 0.00 175.26 172.22 1le3 s TRP 43 N -4.04 3.59 0.03 4.83 0.52 -1.26 -1.12 118.94 121.48 1le3 s TRP 43 Ca 0.23 0.52 0.02 0.00 0.02 0.00 0.00 56.10 56.89 1le3 s TRP 43 Cb 0.07 -1.95 -0.02 0.00 -1.15 0.00 0.00 33.47 30.43 1le3 s TRP 43 CO 0.01 0.72 -0.08 0.95 0.02 0.00 0.00 176.95 178.58 1le3 s THR 44 N -0.98 0.55 0.23 2.01 -4.23 0.34 -4.97 115.64 108.60 1le3 s THR 44 Ca 0.15 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.60 1le3 s THR 44 Cb -0.12 -0.58 -0.08 0.00 1.34 0.00 0.00 72.50 73.06 1le3 s THR 44 CO 0.04 -0.27 0.62 0.86 -0.54 0.00 0.00 174.62 175.33 1le3 s TRP 45 N -1.12 3.50 -0.50 3.99 -0.11 -1.26 -1.09 118.94 122.35 1le3 s TRP 45 Ca -0.07 1.09 0.04 0.00 1.22 0.00 0.00 56.10 58.38 1le3 s TRP 45 Cb -0.08 -2.42 0.16 0.00 -1.50 0.00 0.00 33.47 29.63 1le3 s TRP 45 CO 0.00 0.28 0.36 0.34 -4.62 0.00 0.00 176.95 173.31 1le3 s ASP 46 N -2.05 2.88 0.54 5.86 -1.08 -0.88 -4.89 116.67 117.05 1le3 s ASP 46 Ca 0.46 -3.18 0.29 0.00 -0.52 0.00 0.00 52.55 49.60 1le3 s ASP 46 Cb -0.13 -0.89 1.45 0.00 -1.46 0.00 0.00 42.92 41.90 1le3 s ASP 46 CO 0.20 -0.17 1.93 -2.24 0.52 0.00 0.00 175.17 175.41 1le3 h ASP 47 N 5.83 0.00 0.51 -0.34 3.04 -1.97 0.22 116.42 123.71 1le3 h ASP 47 Ca 0.17 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.92 1le3 h ASP 47 Cb 0.87 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.15 1le3 h ASP 47 CO 0.49 0.00 -0.22 0.00 -2.04 0.00 0.00 179.24 177.46 1le3 h ALA 48 N 1.61 1.24 0.00 4.15 0.00 -1.96 -3.35 119.26 120.95 1le3 h ALA 48 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1le3 h ALA 48 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1le3 h ALA 48 CO -0.00 0.28 -1.13 0.25 0.00 0.00 0.00 179.25 178.64 1le3 n THR 49 N -3.70 0.00 -2.27 0.00 -2.24 0.55 -5.05 114.28 101.58 1le3 n THR 49 Ca -0.01 -0.11 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1le3 n THR 49 Cb 0.34 0.44 -0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.61 -1.10 -3.25 -0.78 4.01 0.16 -5.02 118.16 110.57 1le3 n LYS 50 Ca -0.01 0.55 -0.10 0.00 -0.51 0.00 0.00 58.31 58.24 1le3 n LYS 50 Cb 0.10 -4.67 -0.02 0.00 -0.51 0.00 0.00 35.03 29.93 1le3 n LYS 50 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1le3 n THR 51 N -4.00 0.00 -4.04 -0.18 5.66 -1.25 -5.02 114.28 105.45 1le3 n THR 51 Ca -0.13 -1.22 -0.35 0.00 -3.05 0.00 0.00 64.05 59.30 1le3 n THR 51 Cb 0.60 0.77 -0.10 0.00 -1.55 0.00 0.00 70.33 70.05 1le3 n THR 51 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1le3 s TRP 52 N -3.58 3.20 0.32 1.09 0.52 -1.26 -2.06 118.94 117.17 1le3 s TRP 52 Ca 0.20 -0.02 0.07 0.00 0.02 0.00 0.00 56.10 56.38 1le3 s TRP 52 Cb -0.01 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 1le3 s TRP 52 CO 0.14 0.09 0.25 -0.08 0.02 0.00 0.00 176.95 177.37 1le3 s THR 53 N 0.47 3.69 -0.09 2.01 -1.32 -0.25 -4.94 115.64 115.22 1le3 s THR 53 Ca 0.02 -1.42 -0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1le3 s THR 53 Cb -0.13 -3.21 -0.03 0.00 -1.51 0.00 0.00 72.50 67.63 1le3 s THR 53 CO 0.01 -0.22 -0.06 0.86 -2.21 0.00 0.00 174.62 173.01 1le3 s TRP 54 N -2.28 2.98 0.06 9.09 -0.11 -1.26 -0.50 118.94 126.92 1le3 s TRP 54 Ca 0.39 -0.03 0.07 0.00 1.22 0.00 0.00 56.10 57.74 1le3 s TRP 54 Cb -0.06 -1.76 -0.03 0.00 -1.50 0.00 0.00 33.47 30.12 1le3 s TRP 54 CO 0.26 0.27 -0.18 -0.08 -4.62 0.00 0.00 176.95 172.60 1le3 s THR 55 N -0.59 1.46 0.00 5.86 -1.32 -0.28 -4.96 115.64 115.81 1le3 s THR 55 Ca 0.09 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 1le3 s THR 55 Cb -0.12 -1.32 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 1le3 s THR 55 CO 0.02 0.02 0.46 1.21 -2.21 0.00 0.00 174.62 174.12