#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5g h TRP 2 N 0.00 0.39 -0.51 -0.32 2.91 -2.06 -2.01 115.95 114.35 3h5g h TRP 2 Ca 0.00 -0.11 -0.05 0.00 1.13 0.00 0.00 58.89 59.87 3h5g h TRP 2 Cb 0.00 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.54 3h5g h TRP 2 CO 0.00 0.69 0.13 0.93 -1.03 0.00 0.00 178.44 179.16 3h5g h GLU 3 N -0.02 0.77 -0.52 2.65 3.07 -2.06 -1.49 114.58 116.99 3h5g h GLU 3 Ca 0.03 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 3h5g h GLU 3 Cb 0.60 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 3h5g h GLU 3 CO 0.03 0.69 0.29 0.00 -1.40 0.00 0.00 179.01 178.62 3h5g h ALA 4 N 1.40 0.66 -0.77 3.43 0.00 -1.98 -1.40 119.26 120.60 3h5g h ALA 4 Ca 0.17 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h5g h ALA 4 Cb 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h5g h ALA 4 CO -0.00 0.18 0.50 1.25 0.00 0.00 0.00 179.25 181.18 3h5g h LEU 5 N 0.69 0.86 -0.90 0.00 6.46 -0.76 -1.62 115.31 120.03 3h5g h LEU 5 Ca 0.18 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.89 3h5g h LEU 5 Cb 0.04 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.73 3h5g h LEU 5 CO -0.03 0.61 0.36 -0.33 -0.62 0.00 0.00 178.44 178.44 3h5g h GLU 6 N 1.01 1.16 -0.38 1.25 5.08 -0.90 0.41 114.58 122.21 3h5g h GLU 6 Ca 0.29 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3h5g h GLU 6 Cb -0.08 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 3h5g h GLU 6 CO -0.08 0.91 -0.23 0.87 -1.00 0.00 0.00 179.01 179.48 3h5g h LYS 7 N 1.15 0.75 -0.56 2.33 1.79 -0.95 -1.07 116.57 120.01 3h5g h LYS 7 Ca 0.27 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 3h5g h LYS 7 Cb 0.14 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3h5g h LYS 7 CO -0.03 0.91 0.04 0.87 -1.08 0.00 0.00 179.45 180.16 3h5g h LYS 8 N 0.65 0.93 -0.50 3.15 1.57 -0.85 -1.62 116.57 119.89 3h5g h LYS 8 Ca 0.09 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 3h5g h LYS 8 Cb 0.73 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3h5g h LYS 8 CO 0.06 0.89 0.03 1.25 -0.57 0.00 0.00 179.45 181.11 3h5g h LEU 9 N 0.87 0.85 -0.58 2.94 5.85 -0.66 -1.49 115.31 123.08 3h5g h LEU 9 Ca 0.17 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3h5g h LEU 9 Cb 0.45 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3h5g h LEU 9 CO 0.02 0.93 0.29 0.00 -0.34 0.00 0.00 178.44 179.34 3h5g h ALA 10 N 0.95 0.76 -0.57 1.25 0.00 -1.01 -0.25 119.26 120.40 3h5g h ALA 10 Ca 0.15 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3h5g h ALA 10 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3h5g h ALA 10 CO 0.02 -0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.58 3h5g h ALA 11 N 1.33 0.72 -0.37 0.00 0.00 -1.08 -2.39 119.26 117.47 3h5g h ALA 11 Ca 0.27 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3h5g h ALA 11 Cb 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h5g h ALA 11 CO -0.19 0.13 -0.09 -0.07 0.00 0.00 0.00 179.25 179.02 3h5g h LEU 12 N 0.74 0.61 -0.70 0.00 3.38 -0.72 -1.62 115.31 117.01 3h5g h LEU 12 Ca 0.21 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3h5g h LEU 12 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3h5g h LEU 12 CO -0.06 0.75 0.31 -0.33 0.09 0.00 0.00 178.44 179.19 3h5g h GLU 13 N 0.58 1.03 -0.47 1.13 5.08 -0.71 -2.78 114.58 118.44 3h5g h GLU 13 Ca 0.11 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3h5g h GLU 13 Cb 0.51 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3h5g h GLU 13 CO 0.03 0.83 0.22 0.77 -1.00 0.00 0.00 179.01 179.86 3h5g h SER 14 N 0.99 0.63 0.00 1.42 0.02 -1.00 -1.66 113.55 113.94 3h5g h SER 14 Ca 0.24 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3h5g h SER 14 Cb 0.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3h5g h SER 14 CO -0.02 0.59 0.00 0.29 -1.14 0.00 0.00 176.83 176.55 3h5g n LYS 15 N -4.62 0.15 0.00 3.45 5.02 -0.65 -1.33 118.16 120.19 3h5g n LYS 15 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3h5g n LYS 15 Cb 0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3h5g n LYS 15 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3h5g n GLN 17 N 1.06 0.00 -0.12 1.97 7.27 -0.63 -1.04 117.38 125.89 3h5g n GLN 17 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.99 3h5g n GLN 17 Cb 0.08 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.72 3h5g n GLN 17 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3h5g h ALA 18 N 0.00 0.48 -0.36 1.69 0.00 -1.48 -1.69 119.26 117.90 3h5g h ALA 18 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3h5g h ALA 18 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3h5g h ALA 18 CO 0.00 -0.05 -0.31 1.25 0.00 0.00 0.00 179.25 180.15 3h5g h LEU 19 N 0.50 0.80 -0.48 0.00 5.85 -1.36 -1.74 115.31 118.88 3h5g h LEU 19 Ca 0.14 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3h5g h LEU 19 Cb -0.03 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 3h5g h LEU 19 CO -0.03 1.05 0.26 -0.08 -0.34 0.00 0.00 178.44 179.30 3h5g h GLU 20 N 0.65 0.50 -0.43 1.25 4.81 -1.72 0.13 114.58 119.77 3h5g h GLU 20 Ca 0.07 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3h5g h GLU 20 Cb 0.84 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3h5g h GLU 20 CO 0.07 0.33 -0.21 0.87 -0.73 0.00 0.00 179.01 179.34 3h5g h LYS 21 N 0.51 0.90 -0.70 1.92 1.79 -1.11 -1.87 116.57 118.02 3h5g h LYS 21 Ca 0.20 -0.39 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3h5g h LYS 21 Cb 0.08 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 3h5g h LYS 21 CO -0.12 1.05 0.30 0.87 -1.08 0.00 0.00 179.45 180.46 3h5g h LYS 22 N 0.73 1.04 -0.45 3.15 1.57 -1.09 -1.54 116.57 119.99 3h5g h LYS 22 Ca 0.10 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3h5g h LYS 22 Cb 0.77 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3h5g h LYS 22 CO 0.06 0.85 0.02 -0.07 -0.57 0.00 0.00 179.45 179.74 3h5g h LEU 23 N 1.00 0.69 -0.70 2.94 3.38 -0.86 -0.55 115.31 121.21 3h5g h LEU 23 Ca 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3h5g h LEU 23 Cb 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3h5g h LEU 23 CO -0.02 0.75 0.41 -0.08 0.09 0.00 0.00 178.44 179.59 3h5g h GLU 24 N 0.69 0.95 -0.03 1.13 4.57 -0.84 -0.11 114.58 120.95 3h5g h GLU 24 Ca 0.14 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3h5g h GLU 24 Cb 0.40 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3h5g h GLU 24 CO 0.01 0.68 0.02 0.00 -1.18 0.00 0.00 179.01 178.54 3h5g h ALA 25 N 1.21 0.03 -0.47 2.92 0.00 -0.87 -3.13 119.26 118.95 3h5g h ALA 25 Ca 0.25 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3h5g h ALA 25 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h5g h ALA 25 CO -0.05 -0.45 0.06 -0.07 0.00 0.00 0.00 179.25 178.75 3h5g h LEU 26 N -0.00 0.69 -1.86 0.00 3.38 -0.72 -1.14 115.31 115.66 3h5g h LEU 26 Ca 0.01 -0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.03 3h5g h LEU 26 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3h5g h LEU 26 CO -0.00 0.73 0.50 -0.08 0.09 0.00 0.00 178.44 179.67 3h5g h GLU 27 N 0.71 0.13 -0.38 1.13 4.81 -0.99 -1.82 114.58 118.16 3h5g h GLU 27 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3h5g h GLU 27 Cb 0.35 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3h5g h GLU 27 CO 0.01 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 179.09 3h5g n HIS 28 N -4.39 1.22 0.00 0.92 8.25 -0.46 -5.11 115.22 115.65 3h5g n HIS 28 Ca 0.14 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 3h5g n HIS 28 Cb 0.69 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3h5g n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39