#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkw n ALA 1 N 0.00 0.00 -0.64 4.31 0.00 -1.26 -4.18 120.51 118.74 1mkw n ALA 1 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1mkw n ALA 1 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1mkw n ALA 1 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mkw n ASP 1 N 3.91 5.48 -4.79 0.00 2.03 -1.26 -4.95 116.55 116.97 1mkw n ASP 1 Ca 0.00 -2.51 -0.36 0.00 0.52 0.00 0.00 54.79 52.44 1mkw n ASP 1 Cb 0.00 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.17 1mkw n ASP 1 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mkw n GLY 2 N 0.34 0.74 3.07 0.00 0.00 -1.26 -5.00 105.19 103.08 1mkw n GLY 2 Ca 0.03 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1mkw n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mkw s LEU 3 N -1.52 2.70 0.13 0.99 1.02 -1.26 -5.03 118.68 115.70 1mkw s LEU 3 Ca 0.00 -1.00 -0.28 0.00 0.02 0.00 0.00 54.13 52.87 1mkw s LEU 3 Cb 0.00 -1.46 -0.07 0.00 0.02 0.00 0.00 46.19 44.69 1mkw s LEU 3 CO 0.00 -0.11 0.87 -0.13 0.02 0.00 0.00 176.35 177.00 1mkw s ARG 4 N 1.24 4.65 0.54 1.70 0.52 -1.26 -4.82 118.95 121.51 1mkw s ARG 4 Ca -0.02 1.30 0.22 0.00 -0.52 0.00 0.00 55.73 56.70 1mkw s ARG 4 Cb -0.17 -3.33 1.41 0.00 0.52 0.00 0.00 34.95 33.38 1mkw s ARG 4 CO -0.09 0.36 2.10 -1.35 0.02 0.00 0.00 175.30 176.35 1mkw h PRO 5 N 5.08 0.00 -0.21 3.54 0.11 -1.97 -1.09 132.00 137.46 1mkw h PRO 5 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1mkw h PRO 5 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mkw h PRO 5 CO 0.70 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.77 1mkw n LEU 6 N -4.33 2.98 0.00 2.35 4.77 -1.26 -4.22 117.00 117.29 1mkw n LEU 6 Ca 0.02 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1mkw n LEU 6 Cb 0.29 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1mkw n LEU 6 CO 0.33 0.60 0.00 0.49 -1.33 0.00 0.00 177.39 177.48 1mkw n PHE 7 N 1.19 0.00 -0.05 -1.77 3.01 -1.15 -4.76 117.46 113.93 1mkw n PHE 7 Ca 0.14 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.47 1mkw n PHE 7 Cb 0.52 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.90 1mkw n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1mkw h GLU 8 N 0.00 -0.45 -0.56 -1.08 3.07 -1.65 0.16 114.58 114.08 1mkw h GLU 8 Ca 0.00 0.03 0.16 0.00 -0.50 0.00 0.00 59.36 59.05 1mkw h GLU 8 Cb 0.00 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1mkw h GLU 8 CO 0.00 -0.30 0.44 0.87 -1.40 0.00 0.00 179.01 178.62 1mkw h LYS 9 N -0.47 0.00 -0.43 2.33 1.79 -1.45 -0.22 116.57 118.13 1mkw h LYS 9 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1mkw h LYS 9 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1mkw h LYS 9 CO -0.44 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.56 1mkw n LYS 10 N -4.18 2.47 -3.65 3.15 5.02 -0.14 -4.96 118.16 115.88 1mkw n LYS 10 Ca 0.11 -2.23 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 1mkw n LYS 10 Cb 0.67 -1.51 0.07 0.00 -0.02 0.00 0.00 35.03 34.24 1mkw n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1mkw n GLN 11 N 1.41 -7.60 -4.51 1.97 3.00 0.15 -4.95 117.38 106.85 1mkw n GLN 11 Ca 0.20 0.79 -0.31 0.00 -0.01 0.00 0.00 57.00 57.68 1mkw n GLN 11 Cb 0.58 -5.83 -0.17 0.00 0.00 0.00 0.00 30.24 24.83 1mkw n GLN 11 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1mkw s VAL 12 N -3.32 1.79 -0.11 5.09 1.01 0.33 -5.00 120.40 120.19 1mkw s VAL 12 Ca 0.59 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1mkw s VAL 12 Cb -0.27 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1mkw s VAL 12 CO 0.75 0.50 0.44 0.00 0.00 0.00 0.00 175.10 176.78 1mkw s GLN 13 N 0.96 4.27 0.89 2.72 -2.07 -1.26 -3.95 119.66 121.22 1mkw s GLN 13 Ca -0.05 0.39 -0.11 0.00 -1.82 0.00 0.00 55.36 53.76 1mkw s GLN 13 Cb -0.15 -3.41 0.12 0.00 -1.09 0.00 0.00 33.01 28.49 1mkw s GLN 13 CO -0.03 0.24 1.09 0.16 -1.32 0.00 0.00 175.29 175.44 1mkw s ASP 14 N 0.37 3.50 0.30 12.60 1.47 -1.26 -4.94 116.67 128.70 1mkw s ASP 14 Ca 0.24 1.61 0.06 0.00 1.18 0.00 0.00 52.55 55.64 1mkw s ASP 14 Cb -0.15 -2.28 0.79 0.00 -0.34 0.00 0.00 42.92 40.94 1mkw s ASP 14 CO 0.10 -2.64 1.72 1.56 0.68 0.00 0.00 175.17 176.58 1mkw h GLN 14 N -1.55 0.50 -0.17 2.11 4.20 -2.05 -2.99 115.11 115.16 1mkw h GLN 14 Ca -0.48 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1mkw h GLN 14 Cb 1.27 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1mkw h GLN 14 CO 0.53 0.33 0.00 0.25 -0.67 0.00 0.00 178.83 179.26 1mkw n THR 14 N -4.95 0.30 -0.25 -0.54 -2.24 -1.26 -4.71 114.28 100.62 1mkw n THR 14 Ca 0.24 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1mkw n THR 14 Cb 0.68 1.10 0.13 0.00 -2.10 0.00 0.00 70.33 70.14 1mkw n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1mkw h GLU 14 N 3.28 0.68 -0.23 -0.78 4.81 -1.90 -2.83 114.58 117.61 1mkw h GLU 14 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1mkw h GLU 14 Cb 0.75 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1mkw h GLU 14 CO 0.00 0.45 0.10 -0.22 -0.73 0.00 0.00 179.01 178.61 1mkw h LYS 14 N 0.70 0.32 -0.56 1.92 1.63 -1.84 -2.20 116.57 116.54 1mkw h LYS 14 Ca 0.34 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 60.16 1mkw h LYS 14 Cb 0.28 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.81 1mkw h LYS 14 CO -0.22 0.26 0.37 1.49 -3.45 0.00 0.00 179.45 177.90 1mkw h GLU 14 N 0.32 0.53 -0.04 1.90 4.81 -1.85 -0.82 114.58 119.43 1mkw h GLU 14 Ca 0.08 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1mkw h GLU 14 Cb 0.06 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1mkw h GLU 14 CO -0.01 0.35 -0.24 -0.07 -0.73 0.00 0.00 179.01 178.31 1mkw h LEU 14 N 0.55 0.28 -0.78 1.64 3.38 -1.53 -2.88 115.31 115.97 1mkw h LEU 14 Ca 0.24 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.58 1mkw h LEU 14 Cb 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1mkw h LEU 14 CO -0.07 0.90 0.49 -0.26 0.09 0.00 0.00 178.44 179.60 1mkw h PHE 14 N -0.32 0.92 -0.97 1.13 0.04 -1.43 -0.94 116.94 115.36 1mkw h PHE 14 Ca -0.02 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1mkw h PHE 14 Cb 0.90 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.69 1mkw h PHE 14 CO 0.14 0.52 0.63 0.93 -0.60 0.00 0.00 178.31 179.93 1mkw h GLU 14 N 0.95 1.17 0.00 1.51 5.08 -1.20 0.19 114.58 122.29 1mkw h GLU 14 Ca 0.32 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1mkw h GLU 14 Cb 0.04 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1mkw h GLU 14 CO -0.12 0.78 -0.02 0.66 -1.00 0.00 0.00 179.01 179.30 1mkw h SER 14 N 1.21 0.00 0.04 1.42 4.64 -0.94 -2.99 113.55 116.92 1mkw h SER 14 Ca 0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1mkw h SER 14 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1mkw h SER 14 CO -0.13 0.02 -0.02 1.88 -0.87 0.00 0.00 176.83 177.71 1mkw h TYR 14 N 0.00 -0.05 -0.28 4.77 0.05 -0.76 -3.31 116.97 117.39 1mkw h TYR 14 Ca -0.00 -0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1mkw h TYR 14 Cb 0.26 0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.94 1mkw h TYR 14 CO 0.00 0.54 0.25 1.51 -1.05 0.00 0.00 178.16 179.41 1mkw n ILE 14 N -4.74 2.42 0.06 -2.88 3.06 -0.97 -5.14 119.36 111.17 1mkw n ILE 14 Ca -0.07 -1.15 0.01 0.00 -2.50 0.00 0.00 62.75 59.03 1mkw n ILE 14 Cb 0.30 -1.38 0.01 0.00 0.54 0.00 0.00 39.64 39.11 1mkw n ILE 14 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26