#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n LYS 3 N 0.00 0.00 0.00 1.61 4.81 -1.26 0.17 118.16 123.49 1ibm n LYS 3 Ca 0.00 0.27 0.04 0.00 -0.87 0.00 0.00 58.31 57.75 1ibm n LYS 3 Cb 0.00 -1.63 0.03 0.00 0.02 0.00 0.00 35.03 33.45 1ibm n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ibm n GLY 4 N -1.23 -0.52 3.57 3.14 0.00 -1.26 -4.65 105.19 104.23 1ibm n GLY 4 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1ibm n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ibm s ASP 5 N -0.81 6.44 0.58 1.61 -1.08 0.13 -4.89 116.67 118.64 1ibm s ASP 5 Ca 0.09 0.03 0.29 0.00 -0.52 0.00 0.00 52.55 52.44 1ibm s ASP 5 Cb 0.07 -2.52 1.45 0.00 -1.46 0.00 0.00 42.92 40.46 1ibm s ASP 5 CO 0.13 -1.38 1.87 0.08 0.52 0.00 0.00 175.17 176.38 1ibm h ARG 6 N 9.44 0.00 -2.64 4.34 0.11 -1.86 -2.91 114.38 120.86 1ibm h ARG 6 Ca -0.25 0.00 -0.74 0.00 0.10 0.00 0.00 59.98 59.09 1ibm h ARG 6 Cb 1.06 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.82 1ibm h ARG 6 CO 1.15 0.00 0.36 2.89 0.10 0.00 0.00 179.97 184.47 1ibm n ARG 7 N -3.82 3.95 -3.88 0.08 1.85 -1.26 -3.99 116.66 109.58 1ibm n ARG 7 Ca 0.11 -4.61 -0.09 0.00 -1.00 0.00 0.00 57.85 52.26 1ibm n ARG 7 Cb 0.77 -2.43 -0.05 0.00 -1.05 0.00 0.00 32.46 29.70 1ibm n ARG 7 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ibm s THR 8 N -2.87 0.04 0.01 8.89 2.01 -1.10 -4.96 115.64 117.66 1ibm s THR 8 Ca 0.35 -1.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1ibm s THR 8 Cb 0.10 -1.79 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 1ibm s THR 8 CO 0.05 -0.18 1.05 -0.09 -0.69 0.00 0.00 174.62 174.76 1ibm h ARG 9 N 2.36 -0.43 -0.18 4.92 9.65 -1.90 -1.82 114.38 126.98 1ibm h ARG 9 Ca -0.30 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 58.67 1ibm h ARG 9 Cb 1.24 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 1ibm h ARG 9 CO 0.42 -0.29 0.35 0.00 2.80 0.00 0.00 179.97 183.26 1ibm h ARG 10 N -0.50 0.00 0.48 0.20 3.08 -1.91 -2.51 114.38 113.22 1ibm h ARG 10 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1ibm h ARG 10 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ibm h ARG 10 CO 0.07 0.00 -0.23 0.78 -1.07 0.00 0.00 179.97 179.53 1ibm h GLY 11 N 0.00 -0.67 0.76 0.04 0.00 -1.56 -2.88 103.07 98.77 1ibm h GLY 11 Ca 0.09 0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.70 1ibm h GLY 11 CO -0.00 -0.24 0.21 0.50 0.00 0.00 0.00 176.54 177.00 1ibm h LYS 12 N -0.89 0.40 -0.59 4.80 6.56 -0.93 -2.68 116.57 123.25 1ibm h LYS 12 Ca -0.07 -0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.62 1ibm h LYS 12 Cb 0.49 -0.09 -0.11 0.00 -0.57 0.00 0.00 32.23 31.95 1ibm h LYS 12 CO 0.11 0.27 -0.09 0.82 -2.06 0.00 0.00 179.45 178.50 1ibm h ILE 13 N 0.42 0.45 -0.08 1.86 2.04 -1.56 0.24 117.51 120.88 1ibm h ILE 13 Ca 0.18 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1ibm h ILE 13 Cb 0.10 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1ibm h ILE 13 CO -0.14 0.01 -0.11 -0.25 0.00 0.00 0.00 178.15 177.66 1ibm h TRP 14 N 0.04 -0.28 0.00 1.37 7.01 -1.25 0.23 115.95 123.08 1ibm h TRP 14 Ca 0.29 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.31 1ibm h TRP 14 Cb 0.46 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 1ibm h TRP 14 CO -0.43 -0.17 0.00 0.54 -2.79 0.00 0.00 178.44 175.59 1ibm n ARG 15 N -5.25 0.81 -2.48 2.65 1.74 -0.38 -4.84 116.66 108.91 1ibm n ARG 15 Ca -0.04 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 1ibm n ARG 15 Cb 0.17 -1.07 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 1ibm n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibm n GLY 16 N 0.27 -0.50 3.88 -0.13 0.00 0.82 -4.95 105.19 104.58 1ibm n GLY 16 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1ibm n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ibm s THR 17 N -2.63 1.71 0.01 2.61 -4.23 0.16 -4.97 115.64 108.29 1ibm s THR 17 Ca 0.02 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1ibm s THR 17 Cb -0.01 -2.26 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 1ibm s THR 17 CO 0.02 0.00 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.75 1ibm s TYR 18 N -2.75 0.38 0.00 3.99 1.51 -1.26 -4.01 117.35 115.21 1ibm s TYR 18 Ca 0.32 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 1ibm s TYR 18 Cb -0.01 -0.24 0.00 0.00 -0.11 0.00 0.00 41.96 41.60 1ibm s TYR 18 CO 0.20 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 1ibm n GLY 19 N 2.29 1.45 0.45 0.71 0.00 0.17 -4.91 105.19 105.34 1ibm n GLY 19 Ca -0.18 -0.75 0.26 0.00 0.00 0.00 0.00 46.02 45.35 1ibm n GLY 19 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ibm h LYS 20 N 0.00 0.09 -0.02 1.61 3.64 -1.99 0.23 116.57 120.13 1ibm h LYS 20 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ibm h LYS 20 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ibm h LYS 20 CO 0.00 0.06 -0.01 0.66 -2.27 0.00 0.00 179.45 177.89 1ibm n TYR 21 N -4.33 0.00 -2.82 1.91 4.02 -1.26 -4.57 117.16 110.10 1ibm n TYR 21 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.05 1ibm n TYR 21 Cb 0.89 -0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.22 1ibm n TYR 21 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1ibm s ARG 22 N -2.01 0.84 0.71 -0.72 3.52 0.76 -3.92 118.95 118.14 1ibm s ARG 22 Ca 0.34 -0.73 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 1ibm s ARG 22 Cb 0.21 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1ibm s ARG 22 CO 0.32 -1.07 1.07 -2.14 -0.81 0.00 0.00 175.30 172.67 1ibm s PRO 23 N 1.11 2.79 0.00 5.12 0.02 -0.81 0.42 135.00 143.65 1ibm s PRO 23 Ca 0.26 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1ibm s PRO 23 Cb 0.02 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1ibm s PRO 23 CO -0.07 -1.19 0.51 0.54 -0.33 0.00 0.00 177.00 176.46 1ibm n ARG 24 N -3.18 0.73 -0.66 5.54 1.74 -1.26 -4.87 116.66 114.69 1ibm n ARG 24 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ibm n ARG 24 Cb 0.54 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1ibm n ARG 24 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74