#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfe s LYS 2 N 0.00 0.26 0.05 2.12 2.20 -1.26 -4.81 119.74 118.31 1dfe s LYS 2 Ca 0.00 0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 56.03 1dfe s LYS 2 Cb 0.00 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 1dfe s LYS 2 CO 0.00 -0.09 0.01 0.08 -0.36 0.00 0.00 175.35 174.99 1dfe s VAL 3 N 0.65 0.20 -0.80 4.02 1.01 -1.26 -4.93 120.40 119.29 1dfe s VAL 3 Ca -0.04 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.24 1dfe s VAL 3 Cb -0.06 -1.39 -0.13 0.00 0.00 0.00 0.00 36.38 34.80 1dfe s VAL 3 CO -0.04 -0.90 2.76 -1.14 0.00 0.00 0.00 175.10 175.78 1dfe n ARG 4 N 0.19 2.45 -4.43 2.72 0.63 -1.26 -4.56 116.66 112.40 1dfe n ARG 4 Ca -0.15 -1.45 -0.22 0.00 -0.92 0.00 0.00 57.85 55.11 1dfe n ARG 4 Cb 0.61 -2.35 -0.16 0.00 0.45 0.00 0.00 32.46 31.00 1dfe n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1dfe s ALA 5 N 2.20 0.97 -0.61 5.13 0.00 -1.26 -5.06 121.76 123.13 1dfe s ALA 5 Ca 0.56 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1dfe s ALA 5 Cb 0.19 -0.41 0.28 0.00 0.00 0.00 0.00 23.12 23.18 1dfe s ALA 5 CO -0.03 0.12 0.80 0.43 0.00 0.00 0.00 175.76 177.08 1dfe n SER 6 N 3.53 3.81 -4.50 0.00 7.64 -1.26 -4.43 113.62 118.42 1dfe n SER 6 Ca -0.21 -3.49 -0.56 0.00 1.01 0.00 0.00 58.87 55.63 1dfe n SER 6 Cb 0.53 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 63.01 1dfe n SER 6 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1dfe n VAL 7 N 0.52 0.18 -4.34 0.44 0.24 -1.26 -4.93 118.33 109.18 1dfe n VAL 7 Ca 0.30 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.34 62.19 1dfe n VAL 7 Cb 0.41 -1.22 -0.11 0.00 -1.47 0.00 0.00 33.84 31.45 1dfe n VAL 7 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1dfe s LYS 8 N 5.17 1.74 0.60 7.34 -2.85 -1.26 -4.91 119.74 125.56 1dfe s LYS 8 Ca 1.08 -1.30 -0.20 0.00 -1.00 0.00 0.00 55.97 54.56 1dfe s LYS 8 Cb -1.09 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 32.61 1dfe s LYS 8 CO 0.59 0.45 1.23 0.54 0.10 0.00 0.00 175.35 178.26 1dfe n ARG 9 N 0.52 1.26 -0.02 1.78 3.00 -1.26 -4.96 116.66 116.98 1dfe n ARG 9 Ca -0.14 0.48 -0.05 0.00 -0.01 0.00 0.00 57.85 58.13 1dfe n ARG 9 Cb 0.54 -2.44 -0.02 0.00 0.00 0.00 0.00 32.46 30.54 1dfe n ARG 9 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1dfe n ILE 10 N -1.53 1.30 -3.21 0.55 5.41 -1.26 -5.07 119.36 115.54 1dfe n ILE 10 Ca 0.13 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.15 1dfe n ILE 10 Cb 0.46 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 1dfe n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1dfe n ASP 12 N -1.59 2.13 0.00 0.00 9.92 -1.26 -3.65 116.55 122.09 1dfe n ASP 12 Ca 0.00 -2.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 1dfe n ASP 12 Cb 0.00 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 1dfe n ASP 12 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1dfe n LYS 13 N 0.14 3.46 -2.85 -1.24 4.01 -1.26 -5.06 118.16 115.35 1dfe n LYS 13 Ca 0.06 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.52 1dfe n LYS 13 Cb 0.48 -0.52 -0.07 0.00 -0.51 0.00 0.00 35.03 34.42 1dfe n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1dfe s LYS 15 N -2.75 0.92 -0.34 0.00 1.02 0.12 -4.88 119.74 113.83 1dfe s LYS 15 Ca 0.57 -0.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.18 1dfe s LYS 15 Cb -0.12 -0.94 0.01 0.00 -0.52 0.00 0.00 37.83 36.26 1dfe s LYS 15 CO 0.17 -0.10 0.92 0.08 -0.92 0.00 0.00 175.35 175.51 1dfe s VAL 16 N 1.03 4.63 0.44 3.17 1.01 -1.26 -1.97 120.40 127.45 1dfe s VAL 16 Ca -0.09 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 1dfe s VAL 16 Cb -0.14 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 1dfe s VAL 16 CO -0.00 -0.43 0.70 -0.63 0.00 0.00 0.00 175.10 174.73 1dfe s ILE 17 N 3.36 4.62 -0.12 2.22 -1.09 0.23 -4.86 121.20 125.57 1dfe s ILE 17 Ca 0.38 -0.19 -0.00 0.00 -2.23 0.00 0.00 60.65 58.61 1dfe s ILE 17 Cb -0.13 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1dfe s ILE 17 CO 0.16 -0.60 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.05 1dfe s ARG 18 N -4.59 1.67 0.00 2.79 1.81 -1.26 -1.98 118.95 117.38 1dfe s ARG 18 Ca 0.46 -0.32 0.00 0.00 -1.72 0.00 0.00 55.73 54.15 1dfe s ARG 18 Cb -0.10 -1.66 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 1dfe s ARG 18 CO 0.41 -0.24 0.00 -2.13 -0.68 0.00 0.00 175.30 172.65 1dfe n ARG 19 N 4.84 1.90 -1.32 3.54 3.00 0.17 -4.97 116.66 123.81 1dfe n ARG 19 Ca -0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.62 1dfe n ARG 19 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.88 1dfe n ARG 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1dfe n HIS 20 N 0.00 0.38 -0.78 -0.14 8.25 -1.26 -1.98 115.22 119.69 1dfe n HIS 20 Ca 0.00 -0.04 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 1dfe n HIS 20 Cb 0.00 -1.31 -0.01 0.00 1.12 0.00 0.00 29.99 29.79 1dfe n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dfe n GLY 21 N 5.40 0.12 3.61 -1.41 0.00 -1.26 -4.89 105.19 106.76 1dfe n GLY 21 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1dfe n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dfe s ARG 22 N -1.60 2.12 0.03 1.61 0.52 -0.84 -4.99 118.95 115.80 1dfe s ARG 22 Ca 0.00 -1.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.64 1dfe s ARG 22 Cb 0.00 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 1dfe s ARG 22 CO 0.00 0.28 -0.07 0.08 0.02 0.00 0.00 175.30 175.60 1dfe s VAL 23 N -2.42 0.52 0.19 3.52 1.01 -1.26 0.41 120.40 122.37 1dfe s VAL 23 Ca 0.32 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1dfe s VAL 23 Cb -0.04 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1dfe s VAL 23 CO 0.19 -0.28 -0.13 -0.31 0.00 0.00 0.00 175.10 174.56 1dfe s TYR 24 N -1.13 1.58 -0.40 5.22 2.02 -0.84 -0.23 117.35 123.56 1dfe s TYR 24 Ca -0.08 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.01 1dfe s TYR 24 Cb -0.08 -0.75 0.12 0.00 -0.40 0.00 0.00 41.96 40.85 1dfe s TYR 24 CO 0.00 0.28 0.19 0.08 -1.57 0.00 0.00 175.55 174.52 1dfe s VAL 25 N -3.08 1.49 -0.12 0.71 1.01 0.19 0.77 120.40 121.36 1dfe s VAL 25 Ca 0.21 -2.33 -0.07 0.00 0.00 0.00 0.00 61.98 59.79 1dfe s VAL 25 Cb 0.00 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1dfe s VAL 25 CO 0.05 -0.80 0.13 0.27 0.00 0.00 0.00 175.10 174.75 1dfe s ILE 26 N 0.66 5.43 0.10 2.22 -4.36 -0.83 -1.53 121.20 122.87 1dfe s ILE 26 Ca 0.15 0.18 -0.15 0.00 -0.26 0.00 0.00 60.65 60.57 1dfe s ILE 26 Cb -0.22 -3.36 0.03 0.00 1.25 0.00 0.00 42.46 40.15 1dfe s ILE 26 CO -0.07 0.61 0.35 0.00 0.24 0.00 0.00 174.94 176.07 1dfe h GLU 28 N 2.64 1.24 -6.32 0.00 4.81 -1.98 -3.39 114.58 111.58 1dfe h GLU 28 Ca -0.33 -0.07 -0.55 0.00 -0.13 0.00 0.00 59.36 58.27 1dfe h GLU 28 Cb 1.23 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1dfe h GLU 28 CO 0.48 0.82 0.74 1.21 -0.73 0.00 0.00 179.01 181.53 1dfe s ASN 29 N -6.03 6.99 0.48 1.04 3.84 -1.26 -4.90 114.94 115.10 1dfe s ASN 29 Ca -0.13 1.89 0.25 0.00 0.21 0.00 0.00 52.86 55.08 1dfe s ASN 29 Cb 0.19 -2.56 1.20 0.00 -0.55 0.00 0.00 41.25 39.54 1dfe s ASN 29 CO 0.82 -0.63 1.97 1.55 -2.79 0.00 0.00 177.10 178.02 1dfe h PRO 30 N 7.59 0.00 0.00 0.43 0.13 -2.01 -2.35 132.00 135.79 1dfe h PRO 30 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1dfe h PRO 30 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dfe h PRO 30 CO 0.89 0.18 0.00 1.63 -0.23 0.00 0.00 178.00 180.47 1dfe n LYS 31 N -3.62 0.17 -0.46 0.86 4.01 -1.26 -2.28 118.16 115.58 1dfe n LYS 31 Ca -0.01 0.45 0.09 0.00 -0.51 0.00 0.00 58.31 58.33 1dfe n LYS 31 Cb 0.32 -1.85 0.29 0.00 -0.51 0.00 0.00 35.03 33.28 1dfe n LYS 31 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1dfe n HIS 32 N -2.17 1.12 -2.61 2.13 8.25 -0.88 -4.85 115.22 116.21 1dfe n HIS 32 Ca 0.01 -0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 56.44 1dfe n HIS 32 Cb 0.18 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 1dfe n HIS 32 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1dfe s LYS 33 N -1.69 3.77 0.53 -0.41 0.00 -0.97 -4.42 119.74 116.55 1dfe s LYS 33 Ca 0.43 -1.56 0.02 0.00 0.00 0.00 0.00 55.97 54.86 1dfe s LYS 33 Cb 0.27 -5.39 0.00 0.00 0.00 0.00 0.00 37.83 32.72 1dfe s LYS 33 CO 0.22 -2.18 0.09 -0.65 0.00 0.00 0.00 175.35 172.82 1dfe s GLN 34 N 4.41 2.22 -0.30 1.78 -0.21 -0.59 -4.95 119.66 122.03 1dfe s GLN 34 Ca 0.48 -2.35 -0.12 0.00 0.02 0.00 0.00 55.36 53.39 1dfe s GLN 34 Cb 0.01 -1.64 0.12 0.00 1.00 0.00 0.00 33.01 32.50 1dfe s GLN 34 CO -0.03 -0.45 0.71 -0.98 -2.12 0.00 0.00 175.29 172.42 1dfe s ARG 35 N -3.98 0.57 0.48 2.91 1.04 -1.26 0.56 118.95 119.26 1dfe s ARG 35 Ca 0.09 1.31 -0.24 0.00 -1.04 0.00 0.00 55.73 55.85 1dfe s ARG 35 Cb 0.00 0.66 -0.07 0.00 -2.04 0.00 0.00 34.95 33.50 1dfe s ARG 35 CO 0.05 -0.18 1.41 -1.14 -0.04 0.00 0.00 175.30 175.41 1dfe s GLN 36 N 2.55 3.53 0.00 3.89 0.74 0.68 -4.88 119.66 126.17 1dfe s GLN 36 Ca -0.07 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.71 1dfe s GLN 36 Cb -0.10 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.47 1dfe s GLN 36 CO -0.19 -0.92 0.00 0.41 -0.55 0.00 0.00 175.29 174.04