#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shh n ASP 1 N 0.00 3.40 -4.68 0.00 2.03 -1.26 -5.04 116.55 111.00 1shh n ASP 1 Ca 0.00 -2.48 -0.38 0.00 0.52 0.00 0.00 54.79 52.45 1shh n ASP 1 Cb 0.00 -0.38 0.06 0.00 -0.72 0.00 0.00 41.12 40.07 1shh n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1shh n GLY 2 N 1.04 0.44 3.26 0.00 0.00 -1.26 -4.98 105.19 103.69 1shh n GLY 2 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1shh n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shh s LEU 3 N 0.00 4.13 0.05 0.99 1.43 -1.22 -5.03 118.68 119.03 1shh s LEU 3 Ca 0.00 -1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 51.71 1shh s LEU 3 Cb 0.00 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1shh s LEU 3 CO 0.00 -0.29 1.08 -0.13 0.23 0.00 0.00 176.35 177.24 1shh s ARG 4 N 1.39 4.52 0.37 1.70 0.52 -1.26 -4.81 118.95 121.38 1shh s ARG 4 Ca -0.02 1.59 0.09 0.00 -0.52 0.00 0.00 55.73 56.87 1shh s ARG 4 Cb -0.19 -3.39 0.83 0.00 0.52 0.00 0.00 34.95 32.71 1shh s ARG 4 CO 0.02 -0.10 1.91 -1.35 0.02 0.00 0.00 175.30 175.80 1shh h PRO 5 N 6.56 0.65 -0.22 3.54 0.11 -1.97 -1.56 132.00 139.12 1shh h PRO 5 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1shh h PRO 5 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1shh h PRO 5 CO 0.77 0.43 0.00 1.28 -0.21 0.00 0.00 178.00 180.27 1shh n LEU 6 N -4.52 2.21 0.00 2.35 4.77 -1.26 -4.15 117.00 116.41 1shh n LEU 6 Ca 0.14 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1shh n LEU 6 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1shh n LEU 6 CO 0.32 0.46 0.00 0.49 -1.33 0.00 0.00 177.39 177.33 1shh n PHE 7 N 0.69 0.00 -0.36 -1.77 3.72 -0.90 -4.76 117.46 114.08 1shh n PHE 7 Ca 0.17 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.64 1shh n PHE 7 Cb 0.42 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.20 1shh n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1shh h GLU 8 N 0.00 0.97 0.00 -1.08 3.07 -1.56 0.18 114.58 116.15 1shh h GLU 8 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1shh h GLU 8 Cb 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 1shh h GLU 8 CO 0.00 0.64 0.00 1.63 -1.40 0.00 0.00 179.01 179.88 1shh n LYS 9 N -4.62 0.20 -0.07 2.33 4.76 -0.64 -2.36 118.16 117.77 1shh n LYS 9 Ca 0.19 0.46 0.07 0.00 -2.87 0.00 0.00 58.31 56.16 1shh n LYS 9 Cb 0.36 -1.91 0.10 0.00 -1.84 0.00 0.00 35.03 31.74 1shh n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1shh n LYS 10 N -2.29 1.60 -3.51 1.97 5.02 -0.35 -4.98 118.16 115.62 1shh n LYS 10 Ca 0.02 -2.28 -0.26 0.00 -2.02 0.00 0.00 58.31 53.77 1shh n LYS 10 Cb 0.21 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1shh n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1shh n SER 11 N -1.18 -4.60 -4.49 4.39 7.64 -0.56 -4.96 113.62 109.85 1shh n SER 11 Ca 0.12 -0.52 -0.32 0.00 1.01 0.00 0.00 58.87 59.16 1shh n SER 11 Cb 0.56 -3.73 -0.12 0.00 -1.01 0.00 0.00 64.21 59.90 1shh n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1shh s LEU 12 N -6.83 2.76 -0.02 -3.43 1.43 0.49 -5.00 118.68 108.08 1shh s LEU 12 Ca 0.49 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1shh s LEU 12 Cb -0.24 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1shh s LEU 12 CO 0.60 0.30 0.08 -1.61 0.23 0.00 0.00 176.35 175.95 1shh s GLU 13 N -1.11 3.08 0.85 1.70 2.02 -1.26 -3.66 118.70 120.32 1shh s GLU 13 Ca 0.14 -0.46 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 1shh s GLU 13 Cb -0.11 -2.87 0.13 0.00 0.10 0.00 0.00 34.13 31.38 1shh s GLU 13 CO 0.03 0.66 1.21 0.16 0.02 0.00 0.00 175.26 177.34 1shh s ASP 14 N -1.62 3.98 0.51 -0.19 1.47 -1.26 -4.98 116.67 114.58 1shh s ASP 14 Ca 0.22 0.47 0.21 0.00 1.18 0.00 0.00 52.55 54.62 1shh s ASP 14 Cb -0.12 -0.80 1.32 0.00 -0.34 0.00 0.00 42.92 42.98 1shh s ASP 14 CO 0.12 -2.19 2.09 0.11 0.68 0.00 0.00 175.17 175.98 1shh h LYS 14 N -1.20 0.00 0.00 2.11 1.57 -2.05 -3.32 116.57 113.67 1shh h LYS 14 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1shh h LYS 14 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1shh h LYS 14 CO 0.53 0.10 0.00 0.25 -0.57 0.00 0.00 179.45 179.76 1shh n THR 14 N -4.10 0.42 0.28 -0.16 -2.24 -1.26 -4.73 114.28 102.49 1shh n THR 14 Ca -0.02 -0.52 0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1shh n THR 14 Cb 0.19 0.91 0.84 0.00 -2.10 0.00 0.00 70.33 70.16 1shh n THR 14 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1shh h GLU 14 N 0.00 0.00 -0.31 -0.78 4.11 -1.97 -1.07 114.58 114.56 1shh h GLU 14 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.46 1shh h GLU 14 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1shh h GLU 14 CO 0.00 0.06 0.21 -0.09 0.07 0.00 0.00 179.01 179.26 1shh h ARG 14 N 0.00 0.29 -1.09 1.06 2.43 -1.85 -2.11 114.38 113.11 1shh h ARG 14 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1shh h ARG 14 Cb 0.17 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1shh h ARG 14 CO 0.01 0.19 0.00 -1.91 -1.51 0.00 0.00 179.97 176.75 1shh n GLU 14 N -4.49 0.16 0.00 0.20 2.13 -0.41 -0.59 120.64 117.65 1shh n GLU 14 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1shh n GLU 14 Cb 0.16 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1shh n GLU 14 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1shh n LEU 14 N 0.70 0.00 0.23 4.31 7.94 -0.80 -2.30 117.00 127.09 1shh n LEU 14 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1shh n LEU 14 Cb 0.06 0.00 0.54 0.00 0.53 0.00 0.00 43.42 44.55 1shh n LEU 14 CO 0.00 0.00 0.92 -0.33 -1.11 0.00 0.00 177.39 176.87 1shh h GLU 14 N 0.00 0.00 0.00 1.96 5.08 -1.12 -1.39 114.58 119.11 1shh h GLU 14 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1shh h GLU 14 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1shh h GLU 14 CO 0.00 0.17 -0.51 0.66 -1.00 0.00 0.00 179.01 178.33 1shh h SER 14 N 0.00 0.00 -0.07 1.42 4.64 -1.71 -1.09 113.55 116.74 1shh h SER 14 Ca -0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1shh h SER 14 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1shh h SER 14 CO 0.02 0.51 -0.73 1.88 -0.87 0.00 0.00 176.83 177.64 1shh h TYR 14 N 0.00 0.95 -0.67 4.77 0.05 -1.60 -2.90 116.97 117.58 1shh h TYR 14 Ca -0.01 -0.41 -0.06 0.00 0.05 0.00 0.00 58.73 58.31 1shh h TYR 14 Cb 0.90 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1shh h TYR 14 CO 0.00 1.22 0.18 0.82 -1.05 0.00 0.00 178.16 179.33 1shh h ILE 14 N 0.50 1.25 0.00 -2.88 1.08 -1.06 -1.95 117.51 114.44 1shh h ILE 14 Ca -0.04 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1shh h ILE 14 Cb 1.34 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 1shh h ILE 14 CO 0.15 0.35 0.00 0.47 -0.69 0.00 0.00 178.15 178.42 1shh n ASP 14 N -4.25 0.00 0.00 1.72 8.00 -0.44 -5.11 116.55 116.48 1shh n ASP 14 Ca 0.05 -0.56 0.07 0.00 0.71 0.00 0.00 54.79 55.06 1shh n ASP 14 Cb 0.24 -0.09 0.42 0.00 -0.02 0.00 0.00 41.12 41.67 1shh n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42