#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kht n TYR 3 N 0.46 -1.52 -3.97 0.00 4.11 -1.26 -4.65 117.16 110.32 2kht n TYR 3 Ca -0.18 -2.86 -0.10 0.00 -0.00 0.00 0.00 57.90 54.76 2kht n TYR 3 Cb 0.60 0.42 -0.04 0.00 -0.00 0.00 0.00 39.34 40.32 2kht n TYR 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kht s ARG 5 N -3.58 3.96 -0.09 0.00 1.04 -0.66 -1.39 118.95 118.23 2kht s ARG 5 Ca 0.22 -0.27 -0.05 0.00 -1.04 0.00 0.00 55.73 54.59 2kht s ARG 5 Cb -0.02 -3.28 0.04 0.00 -2.04 0.00 0.00 34.95 29.65 2kht s ARG 5 CO 0.11 0.36 0.21 0.42 -0.04 0.00 0.00 175.30 176.37 2kht s ILE 6 N 0.15 -0.04 -0.77 4.99 1.09 -1.26 -4.93 121.20 120.43 2kht s ILE 6 Ca 0.07 0.13 -0.14 0.00 -1.10 0.00 0.00 60.65 59.61 2kht s ILE 6 Cb -0.12 -0.33 -0.21 0.00 -1.06 0.00 0.00 42.46 40.75 2kht s ILE 6 CO -0.00 0.05 2.01 -2.65 -0.10 0.00 0.00 174.94 174.26 2kht n PRO 7 N 4.01 0.16 -0.12 2.79 -0.02 -1.26 -4.51 135.00 136.04 2kht n PRO 7 Ca -0.23 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 2kht n PRO 7 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2kht n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kht n ALA 8 N 10.66 0.00 -0.67 3.55 0.00 -1.26 -5.03 120.51 127.76 2kht n ALA 8 Ca 0.47 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 2kht n ALA 8 Cb 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 2kht n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kht h ILE 10 N 5.08 1.29 -3.54 0.00 2.04 -1.93 -3.37 117.51 117.08 2kht h ILE 10 Ca 0.18 -1.26 -0.43 0.00 1.00 0.00 0.00 64.86 64.35 2kht h ILE 10 Cb 0.66 1.39 0.19 0.00 -0.74 0.00 0.00 36.82 38.31 2kht h ILE 10 CO 1.61 0.41 0.10 0.00 0.00 0.00 0.00 178.15 180.26 2kht s ALA 11 N -4.64 0.26 0.00 1.87 0.00 -1.26 -3.95 121.76 114.04 2kht s ALA 11 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2kht s ALA 11 Cb 0.09 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2kht s ALA 11 CO 0.81 -3.46 0.00 0.41 0.00 0.00 0.00 175.76 173.52 2kht n GLY 12 N -0.29 2.16 3.48 0.00 0.00 -1.26 -4.86 105.19 104.42 2kht n GLY 12 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2kht n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kht s GLU 13 N -0.75 0.91 0.40 1.61 2.56 -1.25 -5.07 118.70 117.11 2kht s GLU 13 Ca 0.00 0.36 0.08 0.00 0.00 0.00 0.00 54.97 55.41 2kht s GLU 13 Cb 0.00 0.43 -0.01 0.00 2.00 0.00 0.00 34.13 36.55 2kht s GLU 13 CO 0.00 -0.24 0.46 1.03 -0.56 0.00 0.00 175.26 175.95 2kht s ARG 14 N -0.78 2.72 0.20 4.30 0.52 -1.26 -4.59 118.95 120.05 2kht s ARG 14 Ca -0.08 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 53.47 2kht s ARG 14 Cb -0.02 -2.58 -0.09 0.00 0.52 0.00 0.00 34.95 32.78 2kht s ARG 14 CO 0.06 -0.18 1.35 -0.98 0.02 0.00 0.00 175.30 175.58 2kht s ARG 15 N -4.21 4.35 0.00 3.54 1.70 -1.26 -4.06 118.95 119.01 2kht s ARG 15 Ca 0.50 2.12 0.00 0.00 -0.47 0.00 0.00 55.73 57.88 2kht s ARG 15 Cb -0.07 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 2kht s ARG 15 CO 0.30 -0.31 0.00 0.66 -1.08 0.00 0.00 175.30 174.87 2kht n TYR 16 N 2.72 0.00 -0.48 5.89 4.01 -1.26 -4.94 117.16 123.09 2kht n TYR 16 Ca 0.07 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.77 2kht n TYR 16 Cb 0.42 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 2kht n TYR 16 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kht n GLY 17 N 0.00 2.01 3.88 2.72 0.00 -1.26 -4.85 105.19 107.69 2kht n GLY 17 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2kht n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kht s THR 18 N 1.34 3.16 0.07 2.61 -4.23 -1.26 -4.94 115.64 112.39 2kht s THR 18 Ca 0.23 0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 61.11 2kht s THR 18 Cb 0.11 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2kht s THR 18 CO 0.00 -0.49 0.24 0.00 -0.54 0.00 0.00 174.62 173.82 2kht s ILE 20 N -1.52 4.73 -0.06 0.00 -1.09 -1.26 -4.19 121.20 117.82 2kht s ILE 20 Ca 0.35 2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 60.66 2kht s ILE 20 Cb -0.13 -4.30 0.02 0.00 -1.58 0.00 0.00 42.46 36.48 2kht s ILE 20 CO 0.26 -0.10 0.27 -0.31 -1.23 0.00 0.00 174.94 173.83 2kht s TYR 21 N 2.71 -0.21 -0.38 3.97 2.02 -1.18 -4.84 117.35 119.44 2kht s TYR 21 Ca 0.45 0.44 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 2kht s TYR 21 Cb -0.16 0.08 0.00 0.00 -0.40 0.00 0.00 41.96 41.48 2kht s TYR 21 CO 0.11 -0.26 0.00 1.04 -1.57 0.00 0.00 175.55 174.87 2kht n GLN 22 N 2.09 -1.80 -1.14 -0.62 6.02 -1.26 0.59 117.38 121.25 2kht n GLN 22 Ca -0.18 0.43 -0.05 0.00 -0.01 0.00 0.00 57.00 57.20 2kht n GLN 22 Cb 0.57 -4.31 -0.02 0.00 1.02 0.00 0.00 30.24 27.50 2kht n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kht n GLY 23 N 0.38 0.73 3.08 1.08 0.00 -1.26 -5.02 105.19 104.18 2kht n GLY 23 Ca -0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2kht n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kht s ARG 24 N -2.41 0.58 -0.01 1.61 0.52 0.20 -5.14 118.95 114.29 2kht s ARG 24 Ca 0.00 -0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 54.06 2kht s ARG 24 Cb 0.00 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.20 2kht s ARG 24 CO 0.00 0.03 0.88 -0.51 0.02 0.00 0.00 175.30 175.71 2kht s LEU 25 N -1.90 4.36 -0.04 2.53 1.43 -1.26 -3.13 118.68 120.67 2kht s LEU 25 Ca -0.06 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.34 2kht s LEU 25 Cb -0.06 -3.40 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 2kht s LEU 25 CO -0.01 -0.19 0.59 0.26 0.23 0.00 0.00 176.35 177.24 2kht s TRP 26 N 0.83 3.62 0.39 0.29 0.52 -1.26 -5.02 118.94 118.32 2kht s TRP 26 Ca 0.46 1.15 -0.27 0.00 0.02 0.00 0.00 56.10 57.46 2kht s TRP 26 Cb -0.20 -2.64 -0.11 0.00 -1.15 0.00 0.00 33.47 29.37 2kht s TRP 26 CO 0.25 0.26 1.35 0.00 0.02 0.00 0.00 176.95 178.82 2kht n ALA 27 N 3.15 1.65 -2.55 0.98 0.00 -1.26 -4.50 120.51 117.99 2kht n ALA 27 Ca -0.06 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 2kht n ALA 27 Cb 0.51 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 2kht n ALA 27 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2kht s PHE 28 N -1.15 2.48 -0.09 0.00 2.19 -1.26 -1.65 117.98 118.50 2kht s PHE 28 Ca 0.57 0.31 -0.15 0.00 0.33 0.00 0.00 56.93 58.00 2kht s PHE 28 Cb -0.51 -4.53 -0.05 0.00 -1.31 0.00 0.00 43.02 36.62 2kht s PHE 28 CO 0.61 -1.77 0.36 0.00 1.83 0.00 0.00 175.22 176.25