#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj6 s VAL 13 N 0.00 0.14 -0.32 2.41 0.11 -1.26 -5.07 120.40 116.41 1bj6 s VAL 13 Ca 0.00 -1.59 -0.02 0.00 -2.93 0.00 0.00 61.98 57.44 1bj6 s VAL 13 Cb 0.00 -1.66 0.12 0.00 -1.53 0.00 0.00 36.38 33.31 1bj6 s VAL 13 CO 0.00 -0.65 0.17 -1.59 -3.33 0.00 0.00 175.10 169.70 1bj6 s LYS 14 N -3.94 0.37 -0.04 1.54 -2.85 -1.26 -1.93 119.74 111.63 1bj6 s LYS 14 Ca 0.12 -0.94 -0.03 0.00 -1.00 0.00 0.00 55.97 54.12 1bj6 s LYS 14 Cb 0.06 -1.23 -0.01 0.00 -2.06 0.00 0.00 37.83 34.59 1bj6 s LYS 14 CO -0.06 -1.12 0.13 0.00 0.10 0.00 0.00 175.35 174.41 1bj6 n PHE 16 N 0.42 1.16 0.00 0.00 3.72 -1.26 -1.08 117.46 120.41 1bj6 n PHE 16 Ca 0.03 -2.12 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 1bj6 n PHE 16 Cb -0.00 -1.90 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 1bj6 n PHE 16 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1bj6 n ASN 17 N 3.20 0.00 0.01 4.37 5.15 -1.26 -4.86 115.26 121.86 1bj6 n ASN 17 Ca 0.55 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.44 1bj6 n ASN 17 Cb 0.48 0.19 -0.14 0.00 -0.53 0.00 0.00 39.78 39.78 1bj6 n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1bj6 n GLY 19 N 1.53 0.68 3.78 0.00 0.00 -0.24 -5.03 105.19 105.91 1bj6 n GLY 19 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1bj6 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bj6 s LYS 20 N -0.69 2.55 0.21 1.61 -0.14 -1.26 -4.49 119.74 117.53 1bj6 s LYS 20 Ca 0.00 1.18 -0.03 0.00 -1.36 0.00 0.00 55.97 55.76 1bj6 s LYS 20 Cb 0.00 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 1bj6 s LYS 20 CO 0.00 -1.42 0.43 -1.21 -0.76 0.00 0.00 175.35 172.39 1bj6 s GLU 21 N -4.70 3.59 0.00 1.68 2.02 -1.26 -1.32 118.70 118.71 1bj6 s GLU 21 Ca 0.62 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.46 1bj6 s GLU 21 Cb -0.17 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1bj6 s GLU 21 CO 0.52 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.57 1bj6 n GLY 22 N -0.49 0.59 3.39 -1.39 0.00 -0.82 -4.97 105.19 101.51 1bj6 n GLY 22 Ca -0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1bj6 n GLY 22 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1bj6 s HIS 23 N -2.00 -0.43 0.33 1.61 -3.43 -1.26 -4.99 115.29 105.11 1bj6 s HIS 23 Ca 0.00 0.66 -0.01 0.00 -0.80 0.00 0.00 55.06 54.90 1bj6 s HIS 23 Cb 0.00 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.39 1bj6 s HIS 23 CO 0.00 -0.54 0.55 0.95 -2.00 0.00 0.00 174.74 173.70 1bj6 s THR 24 N -1.57 5.08 0.56 -5.38 -4.23 -1.26 -1.71 115.64 107.12 1bj6 s THR 24 Ca -0.10 -0.28 0.27 0.00 -1.18 0.00 0.00 61.69 60.40 1bj6 s THR 24 Cb -0.02 -3.82 0.39 0.00 1.34 0.00 0.00 72.50 70.40 1bj6 s THR 24 CO 0.05 -0.48 1.98 0.00 -0.54 0.00 0.00 174.62 175.63 1bj6 h ALA 25 N 1.08 2.33 -0.59 3.99 0.00 -1.89 0.10 119.26 124.27 1bj6 h ALA 25 Ca -0.49 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 1bj6 h ALA 25 Cb 1.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1bj6 h ALA 25 CO 0.63 -0.64 0.10 0.00 0.00 0.00 0.00 179.25 179.34 1bj6 h ARG 26 N 0.00 0.98 -0.08 0.00 3.08 -1.97 -3.18 114.38 113.21 1bj6 h ARG 26 Ca 0.23 -0.26 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 1bj6 h ARG 26 Cb 1.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1bj6 h ARG 26 CO -0.00 0.92 -0.81 -0.97 -1.07 0.00 0.00 179.97 178.04 1bj6 h ASN 27 N 0.88 0.66 -3.00 7.04 -0.73 -1.22 -3.46 115.58 115.74 1bj6 h ASN 27 Ca 0.18 -0.46 -0.58 0.00 1.87 0.00 0.00 56.30 57.31 1bj6 h ASN 27 Cb 0.42 -0.20 0.12 0.00 0.27 0.00 0.00 38.32 38.93 1bj6 h ASN 27 CO 0.01 1.23 0.29 0.00 -0.37 0.00 0.00 177.43 178.59 1bj6 h ARG 29 N 2.03 0.60 -7.12 0.00 3.08 -1.90 -3.46 114.38 107.62 1bj6 h ARG 29 Ca -0.44 -0.16 -0.53 0.00 0.07 0.00 0.00 59.98 58.92 1bj6 h ARG 29 Cb 1.32 -0.07 0.13 0.00 0.08 0.00 0.00 29.97 31.42 1bj6 h ARG 29 CO 0.60 0.66 0.47 0.00 -1.07 0.00 0.00 179.97 180.63 1bj6 s ALA 30 N -5.21 2.45 0.38 0.04 0.00 -1.26 -4.99 121.76 113.16 1bj6 s ALA 30 Ca -0.13 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 1bj6 s ALA 30 Cb 0.09 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1bj6 s ALA 30 CO 0.77 -1.36 1.10 -1.25 0.00 0.00 0.00 175.76 175.02 1bj6 s PRO 31 N -3.45 4.22 0.50 0.00 0.04 -1.26 -5.00 135.00 130.04 1bj6 s PRO 31 Ca 0.78 1.68 0.08 0.00 0.04 0.00 0.00 61.00 63.58 1bj6 s PRO 31 Cb -0.31 -2.72 0.03 0.00 0.04 0.00 0.00 34.50 31.54 1bj6 s PRO 31 CO 0.36 -0.13 0.52 -0.98 0.04 0.00 0.00 177.00 176.81 1bj6 s ARG 32 N -2.21 2.42 0.60 4.56 1.70 -1.26 -4.98 118.95 119.79 1bj6 s ARG 32 Ca 0.55 -1.67 -0.02 0.00 -0.47 0.00 0.00 55.73 54.11 1bj6 s ARG 32 Cb -0.27 -2.41 0.04 0.00 -0.57 0.00 0.00 34.95 31.74 1bj6 s ARG 32 CO 0.34 -0.51 0.87 0.15 -1.08 0.00 0.00 175.30 175.07 1bj6 s LYS 33 N -4.34 2.49 0.45 3.89 -0.14 -1.26 -5.13 119.74 115.70 1bj6 s LYS 33 Ca 0.48 -0.49 0.06 0.00 -1.36 0.00 0.00 55.97 54.67 1bj6 s LYS 33 Cb -0.04 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.72 1bj6 s LYS 33 CO 0.29 -0.87 0.16 -1.59 -0.76 0.00 0.00 175.35 172.58 1bj6 s LYS 34 N -4.95 2.18 5.91 1.68 -2.85 -1.26 -5.04 119.74 115.42 1bj6 s LYS 34 Ca 0.57 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 1bj6 s LYS 34 Cb -0.10 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 1bj6 s LYS 34 CO 0.41 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.03 1bj6 n GLY 35 N -1.29 2.48 3.92 0.59 0.00 -1.26 -4.76 105.19 104.87 1bj6 n GLY 35 Ca -0.05 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 1bj6 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj6 n TRP 37 N -1.19 0.00 0.00 0.00 8.01 -1.26 -3.72 117.44 119.27 1bj6 n TRP 37 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 1bj6 n TRP 37 Cb 0.55 -0.93 0.00 0.00 -2.01 0.00 0.00 31.31 28.92 1bj6 n TRP 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1bj6 n LYS 38 N -3.11 0.00 -0.02 -0.99 5.02 -1.26 -4.37 118.16 113.43 1bj6 n LYS 38 Ca -0.41 0.36 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 1bj6 n LYS 38 Cb 0.99 -1.29 -0.14 0.00 -0.02 0.00 0.00 35.03 34.56 1bj6 n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bj6 n GLY 40 N 1.89 0.74 3.85 0.00 0.00 -1.24 -5.05 105.19 105.38 1bj6 n GLY 40 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1bj6 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bj6 s LYS 41 N -0.55 3.95 0.64 1.61 2.20 -1.26 -4.34 119.74 121.98 1bj6 s LYS 41 Ca 0.00 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1bj6 s LYS 41 Cb 0.00 -2.36 0.10 0.00 -1.51 0.00 0.00 37.83 34.05 1bj6 s LYS 41 CO 0.00 0.03 0.88 -1.83 -0.36 0.00 0.00 175.35 174.07 1bj6 s GLU 42 N -3.39 2.04 0.00 4.03 4.04 -1.26 -0.16 118.70 124.00 1bj6 s GLU 42 Ca 0.55 -1.24 0.00 0.00 0.04 0.00 0.00 54.97 54.32 1bj6 s GLU 42 Cb -0.10 -2.47 0.00 0.00 0.02 0.00 0.00 34.13 31.58 1bj6 s GLU 42 CO 0.23 -1.11 0.00 0.41 -1.84 0.00 0.00 175.26 172.95 1bj6 n GLY 43 N -2.54 2.28 0.00 -3.83 0.00 -1.26 -4.90 105.19 94.94 1bj6 n GLY 43 Ca 0.14 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1bj6 n GLY 43 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bj6 n HIS 44 N 0.00 -0.14 -3.62 1.61 1.44 -1.26 -5.10 115.22 108.15 1bj6 n HIS 44 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1bj6 n HIS 44 Cb 0.00 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1bj6 n HIS 44 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1bj6 s GLN 45 N 0.40 1.06 0.61 -1.40 0.74 -1.26 -3.64 119.66 116.17 1bj6 s GLN 45 Ca 0.00 -0.59 0.26 0.00 0.05 0.00 0.00 55.36 55.08 1bj6 s GLN 45 Cb 0.00 0.47 1.24 0.00 1.10 0.00 0.00 33.01 35.82 1bj6 s GLN 45 CO 0.00 -0.41 1.67 0.00 -0.55 0.00 0.00 175.29 176.00 1bj6 h MET 46 N 2.48 0.00 0.12 1.67 -0.00 -1.91 0.51 114.93 117.79 1bj6 h MET 46 Ca -0.33 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.13 1bj6 h MET 46 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.85 1bj6 h MET 46 CO 0.45 0.00 -1.15 1.57 -0.00 0.00 0.00 176.91 177.78 1bj6 h LYS 47 N 0.00 0.26 0.00 -0.10 2.10 -1.99 -3.32 116.57 113.52 1bj6 h LYS 47 Ca 0.25 -0.44 -0.02 0.00 -2.00 0.00 0.00 60.65 58.44 1bj6 h LYS 47 Cb 1.67 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1bj6 h LYS 47 CO -0.00 1.21 -0.09 -0.44 -2.00 0.00 0.00 179.45 178.12 1bj6 h ASP 48 N -0.36 0.00 -2.52 7.07 5.19 -1.22 -3.47 116.42 121.09 1bj6 h ASP 48 Ca -0.24 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.58 1bj6 h ASP 48 Cb 1.69 0.00 0.08 0.00 0.18 0.00 0.00 39.33 41.28 1bj6 h ASP 48 CO 0.09 0.09 0.63 0.00 -3.12 0.00 0.00 179.24 176.93 1bj6 n THR 50 N 2.20 0.55 0.07 0.00 5.66 -1.26 -3.74 114.28 117.75 1bj6 n THR 50 Ca 0.13 -0.73 -0.08 0.00 -3.05 0.00 0.00 64.05 60.33 1bj6 n THR 50 Cb 0.30 0.76 0.06 0.00 -1.55 0.00 0.00 70.33 69.91 1bj6 n THR 50 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1bj6 h GLU 51 N 0.00 0.31 -0.49 1.09 4.39 -2.00 -3.40 114.58 114.48 1bj6 h GLU 51 Ca 0.00 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 1bj6 h GLU 51 Cb 0.35 0.05 -0.15 0.00 -0.10 0.00 0.00 28.75 28.89 1bj6 h GLU 51 CO 0.00 0.88 -0.28 2.89 -1.16 0.00 0.00 179.01 181.34 1bj6 n ARG 52 N -3.83 0.30 0.00 2.33 1.85 -1.26 -5.14 116.66 110.91 1bj6 n ARG 52 Ca -0.03 -1.32 0.00 0.00 -1.00 0.00 0.00 57.85 55.50 1bj6 n ARG 52 Cb 0.68 -0.58 0.01 0.00 -1.05 0.00 0.00 32.46 31.52 1bj6 n ARG 52 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56