#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh6 n MET 52 N 0.00 1.45 -0.28 -0.67 2.81 -1.26 -4.36 117.12 114.82 2wh6 n MET 52 Ca 0.00 -0.66 -0.06 0.00 -1.81 0.00 0.00 57.70 55.17 2wh6 n MET 52 Cb 0.00 -1.44 0.06 0.00 -0.71 0.00 0.00 33.22 31.13 2wh6 n MET 52 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wh6 h ARG 53 N 1.51 1.09 -0.82 0.03 3.08 -2.06 -2.71 114.38 114.50 2wh6 h ARG 53 Ca 0.00 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 59.97 2wh6 h ARG 53 Cb 0.32 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 2wh6 h ARG 53 CO 0.00 0.85 0.48 -1.35 -1.07 0.00 0.00 179.97 178.88 2wh6 h PRO 54 N 1.07 0.82 -0.16 0.04 0.11 -2.01 -2.40 132.00 129.45 2wh6 h PRO 54 Ca 0.26 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 2wh6 h PRO 54 Cb 0.12 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2wh6 h PRO 54 CO -0.03 0.54 -0.32 1.05 -0.21 0.00 0.00 178.00 179.03 2wh6 h GLU 55 N 0.84 0.33 -0.21 1.05 9.09 -1.79 -0.92 114.58 122.97 2wh6 h GLU 55 Ca 0.38 -0.13 -0.16 0.00 0.05 0.00 0.00 59.36 59.50 2wh6 h GLU 55 Cb 0.28 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 2wh6 h GLU 55 CO -0.22 0.62 -0.54 -0.84 0.05 0.00 0.00 179.01 178.08 2wh6 h ILE 56 N 0.28 1.31 -0.46 -1.06 -0.00 -1.19 -2.10 117.51 114.30 2wh6 h ILE 56 Ca 0.04 -1.77 -0.05 0.00 -0.00 0.00 0.00 64.86 63.08 2wh6 h ILE 56 Cb 0.71 1.72 -0.02 0.00 -0.00 0.00 0.00 36.82 39.23 2wh6 h ILE 56 CO 0.05 0.55 0.07 -0.25 -0.00 0.00 0.00 178.15 178.58 2wh6 h TRP 57 N 0.48 0.81 -0.22 0.16 7.01 -1.01 -1.10 115.95 122.08 2wh6 h TRP 57 Ca 0.01 -0.11 0.03 0.00 2.11 0.00 0.00 58.89 60.93 2wh6 h TRP 57 Cb 1.09 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 2wh6 h TRP 57 CO 0.05 0.76 0.02 0.82 -2.79 0.00 0.00 178.44 177.30 2wh6 h ILE 58 N 0.63 0.87 -0.81 2.65 2.04 -1.15 -1.23 117.51 120.51 2wh6 h ILE 58 Ca 0.14 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 2wh6 h ILE 58 Cb 0.39 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2wh6 h ILE 58 CO 0.01 0.02 0.40 0.00 0.00 0.00 0.00 178.15 178.57 2wh6 h ALA 59 N 1.17 1.17 -0.46 1.87 0.00 -1.28 -0.98 119.26 120.76 2wh6 h ALA 59 Ca 0.10 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wh6 h ALA 59 Cb 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2wh6 h ALA 59 CO -0.15 0.64 0.17 1.96 0.00 0.00 0.00 179.25 181.86 2wh6 h GLN 60 N 1.15 0.33 -0.48 0.00 4.20 -0.73 0.21 115.11 119.80 2wh6 h GLN 60 Ca 0.28 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2wh6 h GLN 60 Cb 0.10 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2wh6 h GLN 60 CO -0.04 0.22 0.11 0.93 -0.67 0.00 0.00 178.83 179.38 2wh6 h GLU 61 N 0.34 0.77 -0.16 1.46 4.39 -0.66 -1.52 114.58 119.21 2wh6 h GLU 61 Ca 0.22 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 2wh6 h GLU 61 Cb 0.21 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2wh6 h GLU 61 CO -0.22 0.76 -0.55 -0.07 -1.16 0.00 0.00 179.01 177.77 2wh6 h LEU 62 N 0.65 0.52 -0.39 1.33 3.38 -0.94 0.89 115.31 120.76 2wh6 h LEU 62 Ca 0.15 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.87 2wh6 h LEU 62 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2wh6 h LEU 62 CO 0.00 0.97 0.19 0.03 0.09 0.00 0.00 178.44 179.72 2wh6 h ARG 63 N 0.36 0.38 -0.09 1.13 3.08 -0.87 0.82 114.38 119.19 2wh6 h ARG 63 Ca 0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.05 2wh6 h ARG 63 Cb 1.08 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2wh6 h ARG 63 CO 0.10 0.25 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 2wh6 h ARG 64 N 0.39 0.04 -0.47 0.04 3.08 -0.89 -0.13 114.38 116.43 2wh6 h ARG 64 Ca 0.16 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2wh6 h ARG 64 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2wh6 h ARG 64 CO -0.12 0.02 0.29 0.82 -1.07 0.00 0.00 179.97 179.91 2wh6 h ILE 65 N 0.04 1.15 -0.91 2.04 2.04 -0.66 -0.75 117.51 120.46 2wh6 h ILE 65 Ca 0.04 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2wh6 h ILE 65 Cb 0.04 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2wh6 h ILE 65 CO -0.07 0.15 0.56 1.23 0.00 0.00 0.00 178.15 180.02 2wh6 h GLY 66 N 0.63 1.30 1.38 5.37 0.00 -0.58 -1.80 103.07 109.39 2wh6 h GLY 66 Ca 0.17 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 2wh6 h GLY 66 CO -0.03 0.51 -0.38 -0.55 0.00 0.00 0.00 176.54 176.09 2wh6 h ASP 67 N 1.24 0.72 -0.81 0.19 3.32 -0.61 -2.28 116.42 118.19 2wh6 h ASP 67 Ca 0.33 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wh6 h ASP 67 Cb -0.07 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 2wh6 h ASP 67 CO -0.06 1.02 0.50 -0.33 -1.72 0.00 0.00 179.24 178.65 2wh6 h GLU 68 N 0.56 1.10 -0.57 3.56 4.39 -0.72 -2.86 114.58 120.04 2wh6 h GLU 68 Ca 0.05 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2wh6 h GLU 68 Cb 0.90 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2wh6 h GLU 68 CO 0.08 0.76 0.23 0.35 -1.16 0.00 0.00 179.01 179.28 2wh6 h PHE 69 N 1.11 0.85 0.00 4.33 3.57 -1.15 -2.74 116.94 122.92 2wh6 h PHE 69 Ca 0.29 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.73 2wh6 h PHE 69 Cb -0.06 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.42 2wh6 h PHE 69 CO -0.01 0.69 0.15 0.09 -2.23 0.00 0.00 178.31 177.00 2wh6 n ASN 70 N -4.50 0.00 -2.62 0.41 3.02 -0.88 -0.18 115.26 110.51 2wh6 n ASN 70 Ca 0.03 0.20 -0.24 0.00 -0.03 0.00 0.00 54.58 54.55 2wh6 n ASN 70 Cb 0.16 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2wh6 n ASN 70 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh6 n ALA 71 N -1.14 4.60 -1.76 5.41 0.00 -1.03 -5.12 120.51 121.47 2wh6 n ALA 71 Ca 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 2wh6 n ALA 71 Cb 0.15 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2wh6 n ALA 71 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48