#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s VAL 3 N 0.00 -0.37 0.01 3.15 1.01 -1.26 -1.72 120.40 121.23 3knk s VAL 3 Ca 0.00 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 3knk s VAL 3 Cb 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 35.97 3knk s VAL 3 CO 0.00 0.02 1.25 -2.11 0.00 0.00 0.00 175.10 174.27 3knk n ARG 4 N 5.34 0.24 -0.01 2.72 1.85 -0.92 -4.83 116.66 121.05 3knk n ARG 4 Ca -0.06 -0.87 -0.00 0.00 -1.00 0.00 0.00 57.85 55.92 3knk n ARG 4 Cb 0.50 1.38 -0.00 0.00 -1.05 0.00 0.00 32.46 33.29 3knk n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knk h ALA 5 N 2.00 0.00 -0.97 2.89 0.00 -1.88 -1.83 119.26 119.47 3knk h ALA 5 Ca -0.22 -0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.12 3knk h ALA 5 Cb 1.18 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3knk h ALA 5 CO 0.32 0.04 1.16 0.45 0.00 0.00 0.00 179.25 181.22 3knk s SER 6 N -3.72 5.88 -0.49 0.00 0.15 -1.26 -4.79 113.70 109.47 3knk s SER 6 Ca -0.01 -1.03 -0.20 0.00 0.70 0.00 0.00 55.95 55.40 3knk s SER 6 Cb 0.00 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.79 3knk s SER 6 CO 0.02 -2.06 0.66 -0.69 1.20 0.00 0.00 173.24 172.36 3knk s VAL 7 N 7.26 4.81 0.29 4.45 1.01 -1.26 -5.03 120.40 131.92 3knk s VAL 7 Ca 0.56 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 62.38 3knk s VAL 7 Cb -0.03 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3knk s VAL 7 CO -0.04 -0.79 -0.14 -0.54 0.00 0.00 0.00 175.10 173.59 3knk s LYS 8 N 2.81 1.84 0.38 2.72 1.02 -1.26 -5.11 119.74 122.14 3knk s LYS 8 Ca 0.18 -1.71 -0.25 0.00 0.02 0.00 0.00 55.97 54.21 3knk s LYS 8 Cb -0.17 -1.86 -0.09 0.00 -0.52 0.00 0.00 37.83 35.19 3knk s LYS 8 CO 0.14 0.31 1.08 1.03 -0.92 0.00 0.00 175.35 177.00 3knk s ARG 9 N -3.56 4.22 0.03 1.68 0.52 -1.26 -5.00 118.95 115.57 3knk s ARG 9 Ca 0.31 1.63 -0.02 0.00 -0.52 0.00 0.00 55.73 57.13 3knk s ARG 9 Cb -0.04 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 3knk s ARG 9 CO 0.16 -0.12 -0.05 -0.89 0.02 0.00 0.00 175.30 174.42 3knk n ILE 10 N 0.17 0.98 -0.01 1.52 5.41 -1.26 -5.04 119.36 121.13 3knk n ILE 10 Ca 0.04 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.04 3knk n ILE 10 Cb 0.48 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 3knk n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3knk n ASP 12 N 0.00 0.79 0.00 0.00 5.75 -1.26 -4.45 116.55 117.38 3knk n ASP 12 Ca 0.00 -1.29 0.10 0.00 -0.01 0.00 0.00 54.79 53.59 3knk n ASP 12 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 3knk n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3knk n LYS 13 N -0.15 0.04 -0.32 0.11 5.02 -1.26 -4.97 118.16 116.63 3knk n LYS 13 Ca 0.00 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 3knk n LYS 13 Cb 0.28 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.07 3knk n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knk s LYS 15 N -5.01 0.34 -0.06 0.00 2.20 -1.22 -4.84 119.74 111.15 3knk s LYS 15 Ca 0.68 0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 56.78 3knk s LYS 15 Cb -0.14 0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 36.59 3knk s LYS 15 CO 0.58 -0.18 1.63 0.08 -0.36 0.00 0.00 175.35 177.10 3knk s VAL 16 N 2.62 3.63 -0.04 4.02 1.01 -1.26 -2.70 120.40 127.68 3knk s VAL 16 Ca -0.00 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.76 3knk s VAL 16 Cb -0.08 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3knk s VAL 16 CO -0.17 -0.07 -0.12 -0.63 0.00 0.00 0.00 175.10 174.12 3knk s ILE 17 N 3.99 1.03 -0.33 2.22 -1.09 -1.24 -4.98 121.20 120.80 3knk s ILE 17 Ca 0.72 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.73 3knk s ILE 17 Cb -0.33 -0.91 0.46 0.00 -1.58 0.00 0.00 42.46 40.10 3knk s ILE 17 CO 0.29 0.31 1.32 -1.14 -1.23 0.00 0.00 174.94 174.49 3knk n ARG 18 N 3.37 3.11 -0.69 2.79 0.63 -1.26 0.29 116.66 124.90 3knk n ARG 18 Ca -0.19 -3.88 -0.31 0.00 -0.92 0.00 0.00 57.85 52.55 3knk n ARG 18 Cb 0.53 -2.16 0.16 0.00 0.45 0.00 0.00 32.46 31.44 3knk n ARG 18 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3knk n ARG 19 N -0.82 -0.64 -1.21 -0.14 1.85 -1.26 -2.47 116.66 111.97 3knk n ARG 19 Ca 0.43 -0.13 -0.10 0.00 -1.00 0.00 0.00 57.85 57.04 3knk n ARG 19 Cb 0.91 -2.16 -0.04 0.00 -1.05 0.00 0.00 32.46 30.12 3knk n ARG 19 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3knk n HIS 20 N -4.12 -0.26 -0.08 2.89 8.25 -1.26 -0.48 115.22 120.16 3knk n HIS 20 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3knk n HIS 20 Cb 0.53 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 29.30 3knk n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knk n GLY 21 N -0.03 2.81 0.00 -1.41 0.00 -1.03 -4.98 105.19 100.55 3knk n GLY 21 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3knk n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 22 N -2.00 3.18 -3.67 1.61 1.74 0.37 -5.05 116.66 112.84 3knk n ARG 22 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3knk n ARG 22 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 3knk n ARG 22 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3knk s VAL 23 N 0.33 -0.39 0.00 1.55 1.01 -1.26 -4.31 120.40 117.33 3knk s VAL 23 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3knk s VAL 23 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3knk s VAL 23 CO 0.00 0.05 0.00 -1.22 0.00 0.00 0.00 175.10 173.93 3knk n TYR 24 N 4.88 0.00 -3.64 5.22 4.02 0.84 -2.03 117.16 126.44 3knk n TYR 24 Ca -0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.66 3knk n TYR 24 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.78 3knk n TYR 24 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3knk s VAL 25 N 1.06 0.00 -0.31 -0.72 1.01 -1.26 -3.73 120.40 116.46 3knk s VAL 25 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 3knk s VAL 25 Cb 0.00 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.49 3knk s VAL 25 CO 0.00 0.00 0.15 -0.63 0.00 0.00 0.00 175.10 174.62 3knk s ILE 26 N 0.33 0.07 0.70 2.22 1.09 -1.10 -3.41 121.20 121.12 3knk s ILE 26 Ca 0.02 -1.05 0.00 0.00 -1.10 0.00 0.00 60.65 58.52 3knk s ILE 26 Cb -0.05 -1.08 0.12 0.00 -1.06 0.00 0.00 42.46 40.39 3knk s ILE 26 CO -0.09 -0.79 0.97 0.00 -0.10 0.00 0.00 174.94 174.93 3knk h GLU 28 N -0.43 -0.52 -7.20 0.00 4.22 -1.97 -3.44 114.58 105.23 3knk h GLU 28 Ca -0.36 0.04 -0.49 0.00 0.08 0.00 0.00 59.36 58.63 3knk h GLU 28 Cb 1.27 0.12 0.05 0.00 0.50 0.00 0.00 28.75 30.69 3knk h GLU 28 CO 0.41 -0.21 0.38 0.54 -2.18 0.00 0.00 179.01 177.94 3knk s ASN 29 N -4.94 5.97 0.01 1.04 6.03 -1.26 -5.03 114.94 116.76 3knk s ASN 29 Ca -0.14 1.75 -0.06 0.00 -1.03 0.00 0.00 52.86 53.39 3knk s ASN 29 Cb 0.02 -2.53 -0.03 0.00 -3.03 0.00 0.00 41.25 35.68 3knk s ASN 29 CO 0.49 -1.04 1.08 1.55 -2.03 0.00 0.00 177.10 177.15 3knk h PRO 30 N 0.51 -0.19 -0.30 3.55 0.13 -2.01 -3.35 132.00 130.34 3knk h PRO 30 Ca -0.47 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3knk h PRO 30 Cb 1.21 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 3knk h PRO 30 CO 0.58 -0.13 -0.02 1.63 -0.23 0.00 0.00 178.00 179.84 3knk n LYS 31 N -2.58 -0.02 0.30 0.86 5.02 -1.26 0.30 118.16 120.78 3knk n LYS 31 Ca -0.02 0.45 0.19 0.00 -2.02 0.00 0.00 58.31 56.90 3knk n LYS 31 Cb 0.08 -0.70 0.92 0.00 -0.02 0.00 0.00 35.03 35.31 3knk n LYS 31 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3knk h HIS 32 N 0.00 0.00 -2.78 2.13 3.86 -1.97 -3.42 115.15 112.96 3knk h HIS 32 Ca 0.17 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.79 3knk h HIS 32 Cb 0.32 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.88 3knk h HIS 32 CO -0.17 0.03 0.52 1.17 0.86 0.00 0.00 177.93 180.33 3knk n LYS 33 N -3.21 1.94 -1.70 2.45 4.81 0.15 -4.63 118.16 117.97 3knk n LYS 33 Ca -0.01 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 3knk n LYS 33 Cb 0.19 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3knk n LYS 33 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3knk n GLN 34 N 1.50 0.18 0.00 1.64 6.02 -1.22 -2.09 117.38 123.40 3knk n GLN 34 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3knk n GLN 34 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 3knk n GLN 34 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3knk n ARG 35 N 0.00 0.00 -2.05 -1.09 0.63 -0.70 -4.03 116.66 109.43 3knk n ARG 35 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 3knk n ARG 35 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 3knk n ARG 35 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3knk n GLN 36 N 0.00 1.60 0.00 -0.14 7.27 -0.86 -2.18 117.38 123.07 3knk n GLN 36 Ca 0.00 -2.46 0.00 0.00 0.07 0.00 0.00 57.00 54.61 3knk n GLN 36 Cb 0.00 -3.72 0.00 0.00 2.41 0.00 0.00 30.24 28.93 3knk n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54