#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khf n ALA 2 N 0.00 0.00 -0.15 4.61 0.00 -1.26 -4.96 120.51 118.75 2khf n ALA 2 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 2khf n ALA 2 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 2khf n ALA 2 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2khf h TRP 3 N 0.00 0.00 0.13 0.00 5.08 -2.05 -0.77 115.95 118.34 2khf h TRP 3 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2khf h TRP 3 Cb 0.00 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 2khf h TRP 3 CO 0.00 0.00 -0.12 0.87 -1.28 0.00 0.00 178.44 177.92 2khf h LYS 4 N 0.00 -0.25 0.00 0.12 6.56 -2.00 -0.46 116.57 120.53 2khf h LYS 4 Ca 0.40 0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.93 2khf h LYS 4 Cb 1.60 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 33.31 2khf h LYS 4 CO -0.01 -0.17 -0.39 -0.91 -2.06 0.00 0.00 179.45 175.92 2khf h ASN 5 N -0.26 0.00 0.28 0.86 2.35 -1.57 -2.74 115.58 114.50 2khf h ASN 5 Ca -0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2khf h ASN 5 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2khf h ASN 5 CO -0.02 0.39 -0.43 0.15 -1.65 0.00 0.00 177.43 175.86 2khf h PHE 6 N 0.00 0.23 0.23 1.19 3.04 -0.85 -1.68 116.94 119.10 2khf h PHE 6 Ca -0.00 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 2khf h PHE 6 Cb 0.73 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.19 2khf h PHE 6 CO 0.00 0.60 -0.11 -1.49 -2.02 0.00 0.00 178.31 175.29 2khf h TRP 7 N 0.16 -0.28 -0.03 0.41 -0.00 -0.78 -2.98 115.95 112.44 2khf h TRP 7 Ca 0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.82 2khf h TRP 7 Cb 0.83 0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 30.08 2khf h TRP 7 CO 0.01 -0.02 -0.34 0.66 -0.00 0.00 0.00 178.44 178.74 2khf h SER 8 N -0.52 0.06 0.22 -3.49 4.64 -1.54 -2.27 113.55 110.65 2khf h SER 8 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2khf h SER 8 Cb 0.39 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2khf h SER 8 CO 0.05 0.41 0.00 -1.28 -0.87 0.00 0.00 176.83 175.14 2khf h SER 9 N 0.06 0.00 0.21 4.97 0.87 -1.16 -2.12 113.55 116.38 2khf h SER 9 Ca 0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.28 2khf h SER 9 Cb 0.64 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2khf h SER 9 CO 0.05 0.00 -1.28 -0.07 -0.53 0.00 0.00 176.83 175.00 2khf h LEU 10 N 0.00 0.71 -2.46 2.23 3.38 -1.28 -3.26 115.31 114.63 2khf h LEU 10 Ca 0.00 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 57.06 2khf h LEU 10 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2khf h LEU 10 CO 0.00 1.61 0.14 0.08 0.09 0.00 0.00 178.44 180.37 2khf h ARG 11 N -0.04 0.00 0.00 1.13 0.11 -1.46 0.23 114.38 114.35 2khf h ARG 11 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 2khf h ARG 11 Cb 1.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.07 2khf h ARG 11 CO 0.23 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.93 2khf n LYS 12 N -3.38 0.01 -0.01 0.08 5.02 -1.21 -2.58 118.16 116.09 2khf n LYS 12 Ca -0.01 0.23 0.07 0.00 -2.02 0.00 0.00 58.31 56.59 2khf n LYS 12 Cb 0.23 -1.52 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 2khf n LYS 12 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khf n GLY 13 N 0.14 -0.68 0.14 0.72 0.00 0.79 -4.26 105.19 102.03 2khf n GLY 13 Ca 0.04 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 2khf n GLY 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2khf h PHE 14 N 0.00 0.80 0.00 1.61 -1.00 -1.41 -3.22 116.94 113.72 2khf h PHE 14 Ca 0.00 -0.58 -0.05 0.00 2.81 0.00 0.00 57.97 60.15 2khf h PHE 14 Cb 0.68 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 2khf h PHE 14 CO 0.00 1.48 -0.22 0.10 -1.61 0.00 0.00 178.31 178.06 2khf h TYR 15 N -0.06 0.00 0.00 -0.55 -0.00 -1.74 -0.69 116.97 113.93 2khf h TYR 15 Ca -0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.50 2khf h TYR 15 Cb 1.96 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.69 2khf h TYR 15 CO 0.15 0.22 -0.04 -0.44 -0.00 0.00 0.00 178.16 178.05 2khf h ASP 16 N 0.00 0.00 0.00 0.10 3.32 -1.74 -3.45 116.42 114.65 2khf h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2khf h ASP 16 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2khf h ASP 16 CO 0.03 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2khf n GLY 17 N -1.25 0.62 0.32 2.75 0.00 -0.91 -4.99 105.19 101.73 2khf n GLY 17 Ca -0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2khf n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2khf h GLU 18 N 0.00 0.00 -0.19 1.61 4.39 -1.53 0.28 114.58 119.14 2khf h GLU 18 Ca 0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2khf h GLU 18 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2khf h GLU 18 CO 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 179.01 178.09 2khf h ALA 19 N 1.85 1.76 0.00 3.43 0.00 -1.38 -2.69 119.26 122.24 2khf h ALA 19 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2khf h ALA 19 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2khf h ALA 19 CO -0.00 -0.34 -0.62 0.41 0.00 0.00 0.00 179.25 178.70 2khf n GLY 20 N -1.38 0.00 0.36 0.00 0.00 -0.34 -4.75 105.19 99.08 2khf n GLY 20 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.22 2khf n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2khf h ARG 21 N 0.00 0.00 0.00 1.61 2.43 -0.60 0.18 114.38 118.01 2khf h ARG 21 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2khf h ARG 21 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2khf h ARG 21 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2khf h ALA 22 N 1.68 1.00 0.00 2.80 0.00 -1.67 -0.79 119.26 122.28 2khf h ALA 22 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2khf h ALA 22 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2khf h ALA 22 CO -0.00 0.00 -0.19 0.82 0.00 0.00 0.00 179.25 179.88 2khf h ILE 23 N 0.00 0.43 -6.10 0.00 2.04 -0.90 -3.47 117.51 109.50 2khf h ILE 23 Ca 0.00 -1.12 -0.41 0.00 1.00 0.00 0.00 64.86 64.33 2khf h ILE 23 Cb 0.10 1.82 0.07 0.00 -0.74 0.00 0.00 36.82 38.07 2khf h ILE 23 CO 0.00 0.19 -0.88 0.54 0.00 0.00 0.00 178.15 178.00 2khf n ARG 24 N -3.29 -3.09 0.00 2.37 5.12 -0.30 -5.19 116.66 112.27 2khf n ARG 24 Ca 0.01 0.57 0.03 0.00 -1.93 0.00 0.00 57.85 56.52 2khf n ARG 24 Cb 0.45 -4.81 0.17 0.00 -1.16 0.00 0.00 32.46 27.11 2khf n ARG 24 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24