#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy h LYS 2 N 0.00 0.00 -3.17 0.03 1.79 -1.86 -3.41 116.57 109.96 3kiy h LYS 2 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 3kiy h LYS 2 Cb 0.00 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.33 3kiy h LYS 2 CO 0.00 0.00 -0.57 0.08 -1.08 0.00 0.00 179.45 177.88 3kiy s VAL 3 N -4.59 -0.08 0.09 0.50 1.01 -1.26 -2.58 120.40 113.49 3kiy s VAL 3 Ca -0.03 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 3kiy s VAL 3 Cb 0.18 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 36.35 3kiy s VAL 3 CO 0.59 0.08 1.01 0.00 0.00 0.00 0.00 175.10 176.78 3kiy s ARG 4 N 1.34 0.97 0.01 2.72 1.70 -1.22 -5.00 118.95 119.48 3kiy s ARG 4 Ca -0.08 -0.51 0.12 0.00 -0.47 0.00 0.00 55.73 54.79 3kiy s ARG 4 Cb -0.11 0.35 -0.21 0.00 -0.57 0.00 0.00 34.95 34.41 3kiy s ARG 4 CO -0.07 -0.44 0.84 0.00 -1.08 0.00 0.00 175.30 174.55 3kiy h ALA 5 N 2.00 0.67 -3.05 7.88 0.00 -1.90 -3.26 119.26 121.60 3kiy h ALA 5 Ca -0.24 -1.27 -0.72 0.00 0.00 0.00 0.00 54.91 52.68 3kiy h ALA 5 Cb 1.23 0.31 -0.33 0.00 0.00 0.00 0.00 17.79 19.00 3kiy h ALA 5 CO 0.27 1.44 -0.20 0.45 0.00 0.00 0.00 179.25 181.20 3kiy s SER 6 N -6.22 5.74 -0.04 0.00 0.15 -1.26 -5.00 113.70 107.08 3kiy s SER 6 Ca -0.03 -2.90 -0.20 0.00 0.70 0.00 0.00 55.95 53.52 3kiy s SER 6 Cb 0.08 -1.96 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 3kiy s SER 6 CO 0.82 -0.41 0.57 -0.69 1.20 0.00 0.00 173.24 174.73 3kiy s VAL 7 N -0.14 4.99 0.06 4.45 1.01 -1.26 -5.06 120.40 124.44 3kiy s VAL 7 Ca 0.18 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.22 3kiy s VAL 7 Cb -0.16 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3kiy s VAL 7 CO -0.06 0.39 0.25 -0.54 0.00 0.00 0.00 175.10 175.15 3kiy s LYS 8 N 0.03 0.80 0.29 2.72 1.02 -1.26 -5.12 119.74 118.22 3kiy s LYS 8 Ca 0.30 -0.65 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 3kiy s LYS 8 Cb -0.17 0.34 -0.10 0.00 -0.52 0.00 0.00 37.83 37.38 3kiy s LYS 8 CO 0.15 -0.25 1.27 1.03 -0.92 0.00 0.00 175.35 176.63 3kiy s ARG 9 N -2.91 4.42 -0.13 1.68 0.52 -1.26 -4.97 118.95 116.30 3kiy s ARG 9 Ca -0.02 2.10 -0.08 0.00 -0.52 0.00 0.00 55.73 57.21 3kiy s ARG 9 Cb 0.00 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3kiy s ARG 9 CO -0.06 -0.13 -0.13 0.82 0.02 0.00 0.00 175.30 175.82 3kiy h ILE 10 N 3.20 0.02 0.00 1.52 2.04 -1.92 -3.50 117.51 118.88 3kiy h ILE 10 Ca -0.48 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.36 3kiy h ILE 10 Cb 1.22 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3kiy h ILE 10 CO 0.68 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.84 3kiy n ASP 12 N 0.00 0.18 -0.81 0.00 5.75 -1.26 -4.61 116.55 115.80 3kiy n ASP 12 Ca 0.00 -0.53 0.11 0.00 -0.01 0.00 0.00 54.79 54.36 3kiy n ASP 12 Cb 0.00 0.60 0.30 0.00 -1.03 0.00 0.00 41.12 40.99 3kiy n ASP 12 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kiy n LYS 13 N -0.60 2.07 -3.11 0.11 5.02 -1.26 -4.90 118.16 115.48 3kiy n LYS 13 Ca 0.00 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.28 3kiy n LYS 13 Cb 0.01 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 3kiy n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kiy s LYS 15 N 2.24 3.30 -0.87 0.00 1.02 0.28 -4.94 119.74 120.77 3kiy s LYS 15 Ca 0.27 -0.55 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 3kiy s LYS 15 Cb -0.16 -2.94 0.23 0.00 -0.52 0.00 0.00 37.83 34.44 3kiy s LYS 15 CO 0.09 0.57 0.82 0.28 -0.92 0.00 0.00 175.35 176.20 3kiy n VAL 16 N 0.10 3.03 -2.51 3.17 0.31 -1.26 -2.03 118.33 119.13 3kiy n VAL 16 Ca -0.06 -5.19 -0.36 0.00 -0.01 0.00 0.00 64.34 58.72 3kiy n VAL 16 Cb 0.52 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.12 3kiy n VAL 16 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3kiy s ILE 17 N -1.68 3.68 -0.64 2.52 -1.09 -1.21 -4.88 121.20 117.90 3kiy s ILE 17 Ca 0.29 1.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.96 3kiy s ILE 17 Cb -0.03 -3.58 0.18 0.00 -1.58 0.00 0.00 42.46 37.46 3kiy s ILE 17 CO -0.10 -0.07 0.51 -1.14 -1.23 0.00 0.00 174.94 172.91 3kiy n ARG 18 N -0.40 1.61 -4.02 2.79 0.63 -1.26 -0.90 116.66 115.10 3kiy n ARG 18 Ca 0.07 -4.25 -0.35 0.00 -0.92 0.00 0.00 57.85 52.40 3kiy n ARG 18 Cb 0.50 -2.14 -0.10 0.00 0.45 0.00 0.00 32.46 31.17 3kiy n ARG 18 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3kiy s ARG 19 N -1.34 3.93 -0.87 -0.14 1.70 -1.10 -4.55 118.95 116.57 3kiy s ARG 19 Ca 0.29 -0.37 -0.05 0.00 -0.47 0.00 0.00 55.73 55.13 3kiy s ARG 19 Cb 0.01 -3.20 0.01 0.00 -0.57 0.00 0.00 34.95 31.19 3kiy s ARG 19 CO -0.15 0.24 0.60 0.72 -1.08 0.00 0.00 175.30 175.62 3kiy n HIS 20 N 3.64 -1.56 0.00 5.89 8.25 -1.26 -3.31 115.22 126.87 3kiy n HIS 20 Ca -0.17 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 3kiy n HIS 20 Cb 0.52 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.28 3kiy n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kiy n GLY 21 N -1.35 2.91 3.82 -1.41 0.00 -1.26 -5.01 105.19 102.88 3kiy n GLY 21 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3kiy n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kiy s ARG 22 N 0.00 2.96 -0.60 1.61 0.52 -1.21 -5.09 118.95 117.14 3kiy s ARG 22 Ca 0.00 -0.88 -0.17 0.00 -0.52 0.00 0.00 55.73 54.15 3kiy s ARG 22 Cb 0.00 -2.66 0.12 0.00 0.52 0.00 0.00 34.95 32.94 3kiy s ARG 22 CO 0.00 0.47 0.64 0.08 0.02 0.00 0.00 175.30 176.51 3kiy s VAL 23 N -1.83 5.04 0.55 3.52 1.01 -1.26 -2.73 120.40 124.70 3kiy s VAL 23 Ca 0.32 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.99 3kiy s VAL 23 Cb -0.10 -4.43 0.10 0.00 0.00 0.00 0.00 36.38 31.95 3kiy s VAL 23 CO 0.24 -1.02 0.76 -1.22 0.00 0.00 0.00 175.10 173.85 3kiy n TYR 24 N 5.72 -2.81 -3.09 5.22 4.02 -0.08 -0.68 117.16 125.46 3kiy n TYR 24 Ca -0.09 -1.54 -0.20 0.00 -0.01 0.00 0.00 57.90 56.06 3kiy n TYR 24 Cb 0.42 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 3kiy n TYR 24 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3kiy n VAL 25 N -2.39 -0.54 -1.72 -0.72 0.31 -1.25 -3.33 118.33 108.70 3kiy n VAL 25 Ca 0.13 -3.45 -0.42 0.00 -0.01 0.00 0.00 64.34 60.59 3kiy n VAL 25 Cb 0.48 -1.17 -0.01 0.00 -0.91 0.00 0.00 33.84 32.24 3kiy n VAL 25 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kiy n ILE 26 N 1.45 1.92 -3.87 2.52 5.41 -0.86 -3.69 119.36 122.24 3kiy n ILE 26 Ca 0.18 -0.48 -0.09 0.00 1.00 0.00 0.00 62.75 63.36 3kiy n ILE 26 Cb 0.55 -1.70 -0.02 0.00 -0.71 0.00 0.00 39.64 37.76 3kiy n ILE 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kiy h GLU 28 N 0.00 0.00 -6.62 0.00 4.81 -1.94 -3.46 114.58 107.37 3kiy h GLU 28 Ca -0.16 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.56 3kiy h GLU 28 Cb 0.72 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 3kiy h GLU 28 CO 0.22 0.00 0.30 0.54 -0.73 0.00 0.00 179.01 179.34 3kiy s ASN 29 N -3.19 7.52 0.11 1.04 2.20 -1.26 -4.99 114.94 116.36 3kiy s ASN 29 Ca -0.00 1.81 -0.32 0.00 -0.94 0.00 0.00 52.86 53.41 3kiy s ASN 29 Cb 0.00 -2.57 -0.12 0.00 -2.00 0.00 0.00 41.25 36.56 3kiy s ASN 29 CO 0.00 0.11 1.58 1.55 -2.94 0.00 0.00 177.10 177.40 3kiy h PRO 30 N 4.62 -0.69 -0.44 3.55 0.13 -1.99 -3.04 132.00 134.15 3kiy h PRO 30 Ca -0.45 0.05 0.13 0.00 -0.87 0.00 0.00 66.00 64.86 3kiy h PRO 30 Cb 1.20 0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.41 3kiy h PRO 30 CO 0.69 -0.46 0.04 1.63 -0.23 0.00 0.00 178.00 179.67 3kiy n LYS 31 N -5.48 -0.03 0.00 0.86 5.02 -1.26 0.22 118.16 117.49 3kiy n LYS 31 Ca -0.08 0.65 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 3kiy n LYS 31 Cb 0.39 -1.05 0.47 0.00 -0.02 0.00 0.00 35.03 34.82 3kiy n LYS 31 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3kiy n HIS 32 N -4.40 0.00 -2.49 2.13 8.25 -1.15 -3.67 115.22 113.89 3kiy n HIS 32 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 3kiy n HIS 32 Cb 0.37 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.44 3kiy n HIS 32 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kiy s LYS 33 N -2.00 4.64 0.08 -0.41 2.20 0.59 -4.83 119.74 120.02 3kiy s LYS 33 Ca 0.24 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.65 3kiy s LYS 33 Cb 0.11 -3.20 -0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3kiy s LYS 33 CO 0.18 0.21 0.05 1.04 -0.36 0.00 0.00 175.35 176.47 3kiy n GLN 34 N 1.29 0.46 -3.17 4.03 6.02 -1.24 -3.61 117.38 121.15 3kiy n GLN 34 Ca -0.01 -0.74 0.05 0.00 -0.01 0.00 0.00 57.00 56.30 3kiy n GLN 34 Cb 0.45 0.50 -0.02 0.00 1.02 0.00 0.00 30.24 32.19 3kiy n GLN 34 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3kiy s ARG 35 N -2.32 0.10 -0.93 -1.09 3.52 -1.07 -3.74 118.95 113.44 3kiy s ARG 35 Ca 0.07 0.20 -0.24 0.00 -0.13 0.00 0.00 55.73 55.62 3kiy s ARG 35 Cb 0.00 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 3kiy s ARG 35 CO 0.05 -0.10 1.78 -1.14 -0.81 0.00 0.00 175.30 175.08 3kiy s GLN 36 N 2.84 2.89 0.00 5.12 0.74 0.14 -3.39 119.66 128.00 3kiy s GLN 36 Ca -0.05 -0.52 0.00 0.00 0.05 0.00 0.00 55.36 54.83 3kiy s GLN 36 Cb -0.08 -5.12 0.00 0.00 1.10 0.00 0.00 33.01 28.91 3kiy s GLN 36 CO -0.10 -2.97 0.34 0.41 -0.55 0.00 0.00 175.29 172.42