#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5f h TRP 2 N 0.00 0.18 -0.31 4.31 2.91 -2.06 -1.83 115.95 119.16 3h5f h TRP 2 Ca 0.00 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3h5f h TRP 2 Cb 0.00 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.56 3h5f h TRP 2 CO 0.00 0.33 0.08 0.93 -1.03 0.00 0.00 178.44 178.75 3h5f h GLU 3 N -0.02 0.20 -0.66 2.65 3.07 -2.05 -1.66 114.58 116.11 3h5f h GLU 3 Ca 0.04 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.96 3h5f h GLU 3 Cb 0.24 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 3h5f h GLU 3 CO -0.00 0.13 0.32 0.00 -1.40 0.00 0.00 179.01 178.07 3h5f h ALA 4 N 1.22 0.88 -0.51 3.43 0.00 -1.97 -0.46 119.26 121.85 3h5f h ALA 4 Ca 0.14 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3h5f h ALA 4 Cb 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3h5f h ALA 4 CO -0.17 -0.05 0.30 1.25 0.00 0.00 0.00 179.25 180.58 3h5f h LEU 5 N 0.58 0.48 -0.78 0.00 6.46 -0.67 -0.41 115.31 120.97 3h5f h LEU 5 Ca 0.31 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 3h5f h LEU 5 Cb 0.29 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 3h5f h LEU 5 CO -0.24 0.34 0.46 -0.33 -0.62 0.00 0.00 178.44 178.05 3h5f h GLU 6 N 0.60 1.06 -0.51 1.25 5.08 -0.62 0.98 114.58 122.41 3h5f h GLU 6 Ca 0.21 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3h5f h GLU 6 Cb 0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3h5f h GLU 6 CO -0.10 0.75 -0.06 0.87 -1.00 0.00 0.00 179.01 179.47 3h5f h LYS 7 N 1.06 0.90 -0.42 2.33 1.79 -0.72 -1.26 116.57 120.26 3h5f h LYS 7 Ca 0.28 -0.29 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 3h5f h LYS 7 Cb -0.03 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 3h5f h LYS 7 CO -0.05 0.94 -0.14 0.87 -1.08 0.00 0.00 179.45 179.98 3h5f h LYS 8 N 0.82 0.78 -0.38 3.15 1.57 -0.48 -1.61 116.57 120.42 3h5f h LYS 8 Ca 0.14 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3h5f h LYS 8 Cb 0.57 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3h5f h LYS 8 CO 0.03 0.88 0.12 1.25 -0.57 0.00 0.00 179.45 181.16 3h5f h LEU 9 N 0.70 0.56 -0.75 2.94 5.85 -0.62 -1.18 115.31 122.81 3h5f h LEU 9 Ca 0.11 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3h5f h LEU 9 Cb 0.63 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3h5f h LEU 9 CO 0.04 0.62 0.48 0.00 -0.34 0.00 0.00 178.44 179.24 3h5f h ALA 10 N 0.96 0.99 -0.54 1.25 0.00 -0.95 -0.31 119.26 120.67 3h5f h ALA 10 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3h5f h ALA 10 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3h5f h ALA 10 CO -0.00 0.27 0.30 0.00 0.00 0.00 0.00 179.25 179.82 3h5f h ALA 11 N 1.32 0.70 -0.26 0.00 0.00 -1.07 -1.81 119.26 118.15 3h5f h ALA 11 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3h5f h ALA 11 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h5f h ALA 11 CO -0.11 -0.01 -0.18 -0.07 0.00 0.00 0.00 179.25 178.88 3h5f h LEU 12 N 0.59 0.44 -0.90 0.00 3.38 -0.74 -1.57 115.31 116.51 3h5f h LEU 12 Ca 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3h5f h LEU 12 Cb 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3h5f h LEU 12 CO -0.13 0.64 0.10 -0.33 0.09 0.00 0.00 178.44 178.81 3h5f h GLU 13 N 0.41 0.91 -0.52 1.13 5.08 -0.28 -2.57 114.58 118.74 3h5f h GLU 13 Ca 0.07 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 3h5f h GLU 13 Cb 0.55 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3h5f h GLU 13 CO 0.04 0.84 -0.01 0.77 -1.00 0.00 0.00 179.01 179.65 3h5f h SER 14 N 0.87 0.85 0.00 1.42 0.02 -0.92 -2.26 113.55 113.53 3h5f h SER 14 Ca 0.18 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3h5f h SER 14 Cb 0.37 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3h5f h SER 14 CO 0.01 0.92 0.00 0.29 -1.14 0.00 0.00 176.83 176.90 3h5f n LYS 15 N -4.20 0.49 0.00 3.45 5.02 -0.63 -1.75 118.16 120.54 3h5f n LYS 15 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3h5f n LYS 15 Cb 0.32 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3h5f n LYS 15 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3h5f n GLN 17 N 0.57 0.00 -0.20 1.97 7.27 -0.85 -1.54 117.38 124.61 3h5f n GLN 17 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 3h5f n GLN 17 Cb 0.20 0.00 0.10 0.00 2.41 0.00 0.00 30.24 32.95 3h5f n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h5f h ALA 18 N 0.00 0.76 -0.31 1.69 0.00 -1.62 -1.84 119.26 117.93 3h5f h ALA 18 Ca 0.00 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3h5f h ALA 18 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h5f h ALA 18 CO 0.00 -0.21 -0.47 1.25 0.00 0.00 0.00 179.25 179.81 3h5f h LEU 19 N 0.38 0.92 -0.77 0.00 5.85 -1.56 -1.67 115.31 118.46 3h5f h LEU 19 Ca 0.30 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.63 3h5f h LEU 19 Cb 0.38 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3h5f h LEU 19 CO -0.32 1.24 0.45 -0.08 -0.34 0.00 0.00 178.44 179.40 3h5f h GLU 20 N 0.67 0.79 -0.22 1.25 4.81 -1.76 -0.01 114.58 120.10 3h5f h GLU 20 Ca 0.03 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 3h5f h GLU 20 Cb 1.06 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3h5f h GLU 20 CO 0.11 0.52 -0.39 0.87 -0.73 0.00 0.00 179.01 179.38 3h5f h LYS 21 N 0.81 0.66 -0.52 1.92 1.79 -1.02 -2.03 116.57 118.19 3h5f h LYS 21 Ca 0.35 -0.41 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3h5f h LYS 21 Cb 0.22 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 3h5f h LYS 21 CO -0.19 1.03 0.32 0.87 -1.08 0.00 0.00 179.45 180.40 3h5f h LYS 22 N 0.36 0.70 -0.72 3.15 1.57 -1.08 -1.33 116.57 119.23 3h5f h LYS 22 Ca 0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3h5f h LYS 22 Cb 0.99 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 3h5f h LYS 22 CO 0.09 0.49 0.25 -0.07 -0.57 0.00 0.00 179.45 179.64 3h5f h LEU 23 N 0.69 1.01 -0.90 2.94 4.07 -1.01 -1.11 115.31 121.01 3h5f h LEU 23 Ca 0.19 -0.17 0.02 0.00 0.08 0.00 0.00 57.88 57.99 3h5f h LEU 23 Cb -0.03 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.40 3h5f h LEU 23 CO -0.04 0.93 0.59 -0.08 -1.08 0.00 0.00 178.44 178.76 3h5f h GLU 24 N 1.06 1.15 0.13 1.13 4.57 -0.92 -1.17 114.58 120.54 3h5f h GLU 24 Ca 0.24 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3h5f h GLU 24 Cb 0.26 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3h5f h GLU 24 CO -0.01 0.76 -0.06 0.00 -1.18 0.00 0.00 179.01 178.51 3h5f h ALA 25 N 1.34 -0.18 -0.33 2.92 0.00 -0.74 -3.03 119.26 119.25 3h5f h ALA 25 Ca 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h5f h ALA 25 Cb -0.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h5f h ALA 25 CO -0.09 -0.53 0.16 -0.07 0.00 0.00 0.00 179.25 178.72 3h5f h LEU 26 N -0.33 0.40 -1.90 0.00 3.38 -0.98 0.26 115.31 116.15 3h5f h LEU 26 Ca -0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h5f h LEU 26 Cb 0.26 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3h5f h LEU 26 CO 0.03 0.34 0.06 -0.08 0.09 0.00 0.00 178.44 178.88 3h5f h GLU 27 N 0.45 0.12 -0.50 1.13 4.81 -1.11 -1.91 114.58 117.58 3h5f h GLU 27 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3h5f h GLU 27 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3h5f h GLU 27 CO -0.02 0.09 0.00 0.72 -0.73 0.00 0.00 179.01 179.07 3h5f n HIS 28 N -4.52 1.28 -0.15 0.92 8.25 0.03 -5.11 115.22 115.92 3h5f n HIS 28 Ca -0.02 -0.68 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 3h5f n HIS 28 Cb 0.09 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3h5f n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39