#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 s ASN 3 N 7.86 5.72 -0.09 0.00 0.02 0.33 -4.82 114.94 123.95 1bk8 s ASN 3 Ca 0.66 -0.84 -0.30 0.00 -1.02 0.00 0.00 52.86 51.37 1bk8 s ASN 3 Cb -0.11 -2.56 -0.03 0.00 0.02 0.00 0.00 41.25 38.57 1bk8 s ASN 3 CO 0.14 -2.19 1.30 -0.70 0.02 0.00 0.00 177.10 175.66 1bk8 s GLU 4 N 6.18 4.28 -0.01 -0.60 2.12 -1.26 -1.13 118.70 128.28 1bk8 s GLU 4 Ca 0.58 1.76 0.02 0.00 0.36 0.00 0.00 54.97 57.69 1bk8 s GLU 4 Cb -0.05 -3.68 -0.00 0.00 0.26 0.00 0.00 34.13 30.65 1bk8 s GLU 4 CO -0.01 -0.61 -0.08 0.50 -0.54 0.00 0.00 175.26 174.53 1bk8 s ARG 5 N 2.93 0.64 1.09 4.30 3.52 0.60 -4.99 118.95 127.03 1bk8 s ARG 5 Ca 0.58 -0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.77 1bk8 s ARG 5 Cb -0.25 -0.62 0.23 0.00 -1.56 0.00 0.00 34.95 32.75 1bk8 s ARG 5 CO 0.20 0.15 1.10 -1.25 -0.81 0.00 0.00 175.30 174.69 1bk8 s PRO 6 N -0.12 -0.28 -0.40 5.12 0.04 -1.26 -0.77 135.00 137.32 1bk8 s PRO 6 Ca 0.02 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 1bk8 s PRO 6 Cb -0.04 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.74 1bk8 s PRO 6 CO -0.00 -3.16 2.31 -1.13 0.04 0.00 0.00 177.00 175.05 1bk8 n SER 7 N -4.44 2.38 -0.09 6.66 3.41 -0.90 -4.57 113.62 116.07 1bk8 n SER 7 Ca 0.08 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 1bk8 n SER 7 Cb 0.58 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1bk8 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk8 n GLN 8 N 8.63 0.53 -0.01 4.33 6.02 -1.26 -4.75 117.38 130.87 1bk8 n GLN 8 Ca 0.39 0.22 -0.12 0.00 -0.01 0.00 0.00 57.00 57.48 1bk8 n GLN 8 Cb 0.37 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 30.09 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1bk8 h THR 9 N -1.00 1.31 -0.11 5.09 1.35 -1.87 -3.30 112.91 114.37 1bk8 h THR 9 Ca -0.00 -1.42 -0.61 0.00 -0.55 0.00 0.00 66.41 63.83 1bk8 h THR 9 Cb 0.98 2.21 0.02 0.00 -1.73 0.00 0.00 68.15 69.63 1bk8 h THR 9 CO -0.00 0.34 2.21 1.87 -0.25 0.00 0.00 175.52 179.70 1bk8 n TRP 10 N -4.82 2.34 -1.44 4.73 -0.00 -1.26 -4.86 117.44 112.13 1bk8 n TRP 10 Ca -0.09 -1.95 -0.40 0.00 -0.00 0.00 0.00 57.50 55.07 1bk8 n TRP 10 Cb 0.31 -2.00 -0.02 0.00 -0.00 0.00 0.00 31.31 29.60 1bk8 n TRP 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1bk8 n SER 11 N 8.42 4.73 0.00 5.87 7.64 -1.24 -4.69 113.62 134.35 1bk8 n SER 11 Ca 0.49 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1bk8 n SER 11 Cb 0.41 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1bk8 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bk8 n GLY 12 N 4.04 0.91 3.89 0.23 0.00 -1.26 -5.14 105.19 107.87 1bk8 n GLY 12 Ca 0.57 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 1bk8 n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 13 N 2.00 6.26 0.73 1.61 2.47 -1.26 -4.69 114.94 122.05 1bk8 s ASN 13 Ca 0.00 0.27 -0.16 0.00 0.42 0.00 0.00 52.86 53.39 1bk8 s ASN 13 Cb 0.00 -1.92 -0.01 0.00 -1.45 0.00 0.00 41.25 37.87 1bk8 s ASN 13 CO 0.00 0.21 0.72 0.00 -3.72 0.00 0.00 177.10 174.30 1bk8 n GLY 15 N 1.39 -0.04 2.96 0.00 0.00 -1.26 -4.99 105.19 103.25 1bk8 n GLY 15 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1bk8 n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 16 N -5.35 -0.14 0.46 1.61 3.84 -1.26 -5.05 114.94 109.04 1bk8 s ASN 16 Ca 0.00 0.37 0.21 0.00 0.21 0.00 0.00 52.86 53.65 1bk8 s ASN 16 Cb 0.00 0.26 1.14 0.00 -0.55 0.00 0.00 41.25 42.09 1bk8 s ASN 16 CO 0.00 -0.16 1.97 0.00 -2.79 0.00 0.00 177.10 176.13 1bk8 h THR 17 N 6.02 0.84 -0.11 -5.21 1.03 -1.97 0.92 112.91 114.42 1bk8 h THR 17 Ca -0.42 -0.79 0.00 0.00 -0.01 0.00 0.00 66.41 65.19 1bk8 h THR 17 Cb 1.14 1.47 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 1bk8 h THR 17 CO 0.41 0.20 0.07 0.00 -0.01 0.00 0.00 175.52 176.19 1bk8 h ALA 18 N 1.80 0.14 -0.63 0.00 0.00 -1.96 -0.45 119.26 118.15 1bk8 h ALA 18 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1bk8 h ALA 18 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1bk8 h ALA 18 CO 0.03 -0.35 0.25 1.25 0.00 0.00 0.00 179.25 180.42 1bk8 h HIS 19 N 0.13 0.97 -0.52 0.00 6.17 -1.64 -0.94 115.15 119.31 1bk8 h HIS 19 Ca 0.04 -0.07 0.10 0.00 0.71 0.00 0.00 60.37 61.15 1bk8 h HIS 19 Cb 0.01 -0.29 -0.10 0.00 2.52 0.00 0.00 27.41 29.55 1bk8 h HIS 19 CO -0.06 0.76 -0.13 0.00 0.71 0.00 0.00 177.93 179.21 1bk8 h ASP 21 N 0.00 0.87 0.11 0.00 3.58 -0.39 -1.84 116.42 118.74 1bk8 h ASP 21 Ca 0.25 -0.15 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1bk8 h ASP 21 Cb 0.38 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1bk8 h ASP 21 CO -0.54 0.78 -0.39 0.11 -2.88 0.00 0.00 179.24 176.32 1bk8 h LYS 22 N 0.90 -0.59 -1.47 0.28 1.57 -0.37 -0.61 116.57 116.27 1bk8 h LYS 22 Ca 0.22 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1bk8 h LYS 22 Cb 0.16 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1bk8 h LYS 22 CO -0.02 -0.40 0.00 1.04 -0.57 0.00 0.00 179.45 179.50 1bk8 n GLN 23 N -5.45 0.89 0.03 3.15 6.02 0.19 -0.19 117.38 122.01 1bk8 n GLN 23 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1bk8 n GLN 23 Cb 0.37 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.57 1bk8 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bk8 h GLN 25 N 0.00 -0.09 -0.01 0.00 4.20 -0.77 0.13 115.11 118.57 1bk8 h GLN 25 Ca 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bk8 h GLN 25 Cb 0.24 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1bk8 h GLN 25 CO 0.00 0.47 -0.01 -0.44 -0.67 0.00 0.00 178.83 178.18 1bk8 h ASP 26 N -0.78 0.02 0.00 1.46 3.32 -0.78 -3.34 116.42 116.32 1bk8 h ASP 26 Ca -0.01 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1bk8 h ASP 26 Cb 0.60 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1bk8 h ASP 26 CO 0.02 0.46 0.00 0.79 -1.72 0.00 0.00 179.24 178.79 1bk8 n TRP 27 N -4.86 0.00 -0.03 4.55 7.02 -1.22 -4.72 117.44 118.17 1bk8 n TRP 27 Ca -0.08 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.25 1bk8 n TRP 27 Cb 0.23 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.02 1bk8 n TRP 27 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1bk8 h GLU 28 N 0.00 0.18 0.00 -0.99 4.22 -1.67 -3.48 114.58 112.84 1bk8 h GLU 28 Ca 0.00 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.27 1bk8 h GLU 28 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1bk8 h GLU 28 CO 0.00 0.87 0.00 1.63 -2.18 0.00 0.00 179.01 179.33 1bk8 n LYS 29 N -4.54 0.00 -2.52 1.92 4.76 -0.03 -5.05 118.16 112.70 1bk8 n LYS 29 Ca -0.09 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.07 1bk8 n LYS 29 Cb 0.47 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.66 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bk8 s ALA 30 N 0.00 3.36 0.15 7.82 0.00 0.25 -4.86 121.76 128.47 1bk8 s ALA 30 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 1bk8 s ALA 30 Cb 0.00 -2.64 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 1bk8 s ALA 30 CO 0.00 -0.46 1.81 0.77 0.00 0.00 0.00 175.76 177.87 1bk8 h SER 31 N 0.10 0.42 -2.91 0.00 0.02 -0.43 -3.38 113.55 107.37 1bk8 h SER 31 Ca -0.46 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1bk8 h SER 31 Cb 1.21 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.65 1bk8 h SER 31 CO 0.61 0.30 0.25 0.00 -1.14 0.00 0.00 176.83 176.86 1bk8 n HIS 32 N -4.83 -2.27 -4.45 3.45 1.44 -1.01 -4.91 115.22 102.64 1bk8 n HIS 32 Ca -0.00 -1.78 -0.22 0.00 -2.01 0.00 0.00 57.72 53.71 1bk8 n HIS 32 Cb 0.02 0.87 -0.10 0.00 0.12 0.00 0.00 29.99 30.90 1bk8 n HIS 32 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bk8 s GLY 33 N -2.96 1.89 -0.28 -1.39 0.00 -1.26 -0.65 107.32 102.67 1bk8 s GLY 33 Ca 0.15 -1.94 -0.21 0.00 0.00 0.00 0.00 44.72 42.73 1bk8 s GLY 33 CO 0.12 -1.87 0.87 0.00 0.00 0.00 0.00 173.10 172.22 1bk8 s ALA 34 N -2.96 -1.98 0.37 3.20 0.00 0.41 -4.37 121.76 116.44 1bk8 s ALA 34 Ca 0.30 2.11 -0.25 0.00 0.00 0.00 0.00 51.96 54.12 1bk8 s ALA 34 Cb 0.04 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 1bk8 s ALA 34 CO 0.13 -0.32 0.98 0.00 0.00 0.00 0.00 175.76 176.55 1bk8 s HIS 36 N -1.72 0.02 -0.04 0.00 3.76 0.30 -4.89 115.29 112.73 1bk8 s HIS 36 Ca 0.55 -0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 55.14 1bk8 s HIS 36 Cb -0.18 -0.04 -0.03 0.00 1.11 0.00 0.00 32.58 33.43 1bk8 s HIS 36 CO 0.23 -0.21 0.82 0.21 -0.85 0.00 0.00 174.74 174.94 1bk8 s LYS 37 N -0.97 4.49 -0.13 1.40 2.20 -1.26 -0.00 119.74 125.47 1bk8 s LYS 37 Ca -0.11 1.11 -0.06 0.00 -0.36 0.00 0.00 55.97 56.55 1bk8 s LYS 37 Cb -0.06 -3.45 0.06 0.00 -1.51 0.00 0.00 37.83 32.86 1bk8 s LYS 37 CO 0.01 0.02 0.29 1.03 -0.36 0.00 0.00 175.35 176.33 1bk8 s ARG 38 N 0.87 0.22 -1.62 4.03 1.81 0.14 -4.85 118.95 119.56 1bk8 s ARG 38 Ca 0.44 0.66 -0.13 0.00 -1.72 0.00 0.00 55.73 54.98 1bk8 s ARG 38 Cb -0.19 -0.06 0.11 0.00 -0.45 0.00 0.00 34.95 34.36 1bk8 s ARG 38 CO 0.22 -0.20 0.64 0.39 -0.68 0.00 0.00 175.30 175.67 1bk8 n GLU 39 N 4.60 -3.05 -1.62 3.54 4.71 -1.26 -0.54 120.64 127.03 1bk8 n GLU 39 Ca -0.19 0.36 -0.21 0.00 -0.01 0.00 0.00 57.16 57.11 1bk8 n GLU 39 Cb 0.52 -4.85 -0.09 0.00 -1.01 0.00 0.00 31.44 26.01 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1bk8 n ASN 40 N -2.76 -5.52 -4.17 1.62 5.15 -1.26 -4.98 115.26 103.34 1bk8 n ASN 40 Ca -0.05 0.50 -0.33 0.00 -0.60 0.00 0.00 54.58 54.10 1bk8 n ASN 40 Cb 0.56 -4.84 -0.16 0.00 -0.53 0.00 0.00 39.78 34.80 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bk8 s HIS 41 N -2.78 2.72 -0.60 1.20 3.76 0.30 -5.08 115.29 114.81 1bk8 s HIS 41 Ca 0.00 -1.39 -0.27 0.00 -0.15 0.00 0.00 55.06 53.25 1bk8 s HIS 41 Cb 0.00 -1.86 0.01 0.00 1.11 0.00 0.00 32.58 31.84 1bk8 s HIS 41 CO 0.00 -0.65 1.48 -1.58 -0.85 0.00 0.00 174.74 173.14 1bk8 s TRP 42 N 0.96 2.16 -0.11 1.40 0.52 -1.26 -0.68 118.94 121.93 1bk8 s TRP 42 Ca -0.03 0.43 -0.13 0.00 0.02 0.00 0.00 56.10 56.38 1bk8 s TRP 42 Cb -0.15 -4.38 -0.05 0.00 -1.15 0.00 0.00 33.47 27.75 1bk8 s TRP 42 CO -0.05 -2.08 0.31 0.15 0.02 0.00 0.00 176.95 175.31 1bk8 s LYS 43 N 5.82 4.06 -0.39 4.98 -0.14 1.00 0.11 119.74 135.19 1bk8 s LYS 43 Ca 0.52 0.17 -0.28 0.00 -1.36 0.00 0.00 55.97 55.02 1bk8 s LYS 43 Cb -0.11 -3.34 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 1bk8 s LYS 43 CO 0.22 0.42 1.73 0.00 -0.76 0.00 0.00 175.35 176.96 1bk8 s PHE 45 N 6.90 3.52 0.21 0.00 0.40 -0.07 -2.13 117.98 126.82 1bk8 s PHE 45 Ca 0.74 0.84 0.10 0.00 -0.60 0.00 0.00 56.93 58.00 1bk8 s PHE 45 Cb -0.19 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1bk8 s PHE 45 CO 0.31 0.41 -0.11 0.00 0.70 0.00 0.00 175.22 176.54 1bk8 s TYR 47 N -1.93 0.75 0.57 0.00 1.51 0.18 -0.29 117.35 118.14 1bk8 s TYR 47 Ca 0.26 -0.92 0.09 0.00 -1.01 0.00 0.00 57.07 55.49 1bk8 s TYR 47 Cb -0.08 -1.05 0.09 0.00 -0.11 0.00 0.00 41.96 40.81 1bk8 s TYR 47 CO 0.15 -0.71 0.75 1.19 -1.11 0.00 0.00 175.55 175.82 1bk8 n PHE 48 N 5.12 -2.11 -2.43 2.71 3.01 -0.28 0.32 117.46 123.80 1bk8 n PHE 48 Ca -0.06 -2.11 -0.02 0.00 1.01 0.00 0.00 57.45 56.27 1bk8 n PHE 48 Cb 0.45 -0.53 -0.00 0.00 -0.01 0.00 0.00 39.48 39.39 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bk8 n ASN 49 N -2.28 -1.43 0.00 4.37 3.02 -1.26 -0.52 115.26 117.16 1bk8 n ASN 49 Ca 0.14 0.43 0.14 0.00 -0.03 0.00 0.00 54.58 55.27 1bk8 n ASN 49 Cb 0.59 -1.35 0.84 0.00 -0.61 0.00 0.00 39.78 39.26 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64