#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 10.92 5.97 0.11 0.00 3.04 0.82 -4.85 114.94 130.95 1bk8 s ASN 3 Ca 0.91 -1.66 -0.30 0.00 0.04 0.00 0.00 52.86 51.84 1bk8 s ASN 3 Cb -0.14 -2.58 -0.06 0.00 -1.54 0.00 0.00 41.25 36.93 1bk8 s ASN 3 CO 0.15 -2.04 1.19 -0.70 -3.04 0.00 0.00 177.10 172.66 1bk8 s GLU 4 N 5.51 4.46 0.02 0.43 2.12 -1.26 -0.80 118.70 129.18 1bk8 s GLU 4 Ca 0.59 1.80 -0.15 0.00 0.36 0.00 0.00 54.97 57.56 1bk8 s GLU 4 Cb -0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1bk8 s GLU 4 CO 0.03 -0.18 0.32 -0.98 -0.54 0.00 0.00 175.26 173.91 1bk8 s ARG 5 N 0.59 0.76 1.20 4.30 1.70 0.38 -4.99 118.95 122.88 1bk8 s ARG 5 Ca 0.56 -0.34 -0.19 0.00 -0.47 0.00 0.00 55.73 55.29 1bk8 s ARG 5 Cb -0.30 0.33 0.29 0.00 -0.57 0.00 0.00 34.95 34.70 1bk8 s ARG 5 CO 0.32 -0.23 1.13 -1.25 -1.08 0.00 0.00 175.30 174.18 1bk8 s PRO 6 N -1.97 -1.18 -0.52 3.89 0.04 -1.26 -0.47 135.00 133.52 1bk8 s PRO 6 Ca -0.09 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.53 1bk8 s PRO 6 Cb -0.03 -1.61 -0.15 0.00 0.04 0.00 0.00 34.50 32.75 1bk8 s PRO 6 CO 0.00 -3.68 1.78 -1.13 0.04 0.00 0.00 177.00 174.02 1bk8 n SER 7 N -4.72 0.45 0.00 6.66 3.41 -0.71 -4.35 113.62 114.35 1bk8 n SER 7 Ca 0.14 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1bk8 n SER 7 Cb 0.60 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 5.99 0.00 0.01 4.33 1.13 -1.26 -4.66 117.38 122.92 1bk8 n GLN 8 Ca 0.45 0.28 -0.11 0.00 -1.94 0.00 0.00 57.00 55.68 1bk8 n GLN 8 Cb -0.01 -0.76 -0.14 0.00 0.11 0.00 0.00 30.24 29.44 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1bk8 h THR 9 N 0.00 0.98 -2.04 5.09 1.35 -1.94 -3.46 112.91 112.89 1bk8 h THR 9 Ca 0.00 -2.76 -0.53 0.00 -0.55 0.00 0.00 66.41 62.56 1bk8 h THR 9 Cb 0.00 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1bk8 h THR 9 CO 0.00 0.65 1.46 0.86 -0.25 0.00 0.00 175.52 178.24 1bk8 s TRP 10 N -2.61 1.38 -1.25 4.73 -0.11 -1.26 -4.80 118.94 115.02 1bk8 s TRP 10 Ca -0.07 0.92 -0.08 0.00 1.22 0.00 0.00 56.10 58.09 1bk8 s TRP 10 Cb 0.08 -3.90 -0.07 0.00 -1.50 0.00 0.00 33.47 28.08 1bk8 s TRP 10 CO 0.82 -3.02 2.96 0.43 -4.62 0.00 0.00 176.95 173.52 1bk8 n SER 11 N 12.84 7.97 0.00 5.86 7.64 -1.26 -4.72 113.62 141.95 1bk8 n SER 11 Ca 0.28 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1bk8 n SER 11 Cb 0.50 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 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 2.93 0.49 3.85 0.23 0.00 -1.26 -5.10 105.19 106.33 1bk8 n GLY 12 Ca 0.69 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.00 6.14 0.49 1.61 2.47 -1.26 -4.76 114.94 115.63 1bk8 s ASN 13 Ca 0.00 0.33 -0.21 0.00 0.42 0.00 0.00 52.86 53.41 1bk8 s ASN 13 Cb 0.00 -1.90 -0.08 0.00 -1.45 0.00 0.00 41.25 37.82 1bk8 s ASN 13 CO 0.00 0.33 1.07 0.00 -3.72 0.00 0.00 177.10 174.78 1bk8 n GLY 15 N -0.04 -0.13 3.45 0.00 0.00 -1.26 -4.85 105.19 102.35 1bk8 n GLY 15 Ca 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.01 -0.70 0.48 1.61 3.84 -1.26 -5.03 114.94 108.87 1bk8 s ASN 16 Ca -0.13 1.24 0.14 0.00 0.21 0.00 0.00 52.86 54.33 1bk8 s ASN 16 Cb 0.03 1.52 1.14 0.00 -0.55 0.00 0.00 41.25 43.39 1bk8 s ASN 16 CO 0.21 -0.22 2.10 0.00 -2.79 0.00 0.00 177.10 176.40 1bk8 h THR 17 N 5.77 1.01 0.00 -5.21 1.03 -1.96 0.48 112.91 114.02 1bk8 h THR 17 Ca -0.23 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.09 1bk8 h THR 17 Cb 1.14 0.79 -0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1bk8 h THR 17 CO 0.16 0.04 -0.04 0.00 -0.01 0.00 0.00 175.52 175.67 1bk8 h ALA 18 N 1.88 1.12 0.00 0.00 0.00 -1.97 -0.29 119.26 120.01 1bk8 h ALA 18 Ca 0.08 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1bk8 h ALA 18 Cb 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bk8 h ALA 18 CO -0.02 0.04 -0.38 1.25 0.00 0.00 0.00 179.25 180.15 1bk8 h HIS 19 N 0.00 0.00 -0.88 0.00 6.17 -1.38 -3.39 115.15 115.67 1bk8 h HIS 19 Ca -0.00 0.00 0.22 0.00 0.71 0.00 0.00 60.37 61.30 1bk8 h HIS 19 Cb 0.22 0.00 -0.16 0.00 2.52 0.00 0.00 27.41 29.99 1bk8 h HIS 19 CO 0.00 0.91 -0.01 0.00 0.71 0.00 0.00 177.93 179.53 1bk8 h ASP 21 N 0.05 0.98 0.36 0.00 1.82 -1.22 -1.78 116.42 116.63 1bk8 h ASP 21 Ca 0.50 -0.15 -0.02 0.00 -0.39 0.00 0.00 57.03 56.97 1bk8 h ASP 21 Cb 0.94 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.70 1bk8 h ASP 21 CO -0.82 0.88 -0.17 0.11 -1.61 0.00 0.00 179.24 177.63 1bk8 h LYS 22 N 1.03 -0.47 -0.67 0.28 1.57 -0.58 -3.28 116.57 114.46 1bk8 h LYS 22 Ca 0.23 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.16 1bk8 h LYS 22 Cb 0.23 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 32.52 1bk8 h LYS 22 CO -0.02 -0.16 -0.34 0.37 -0.57 0.00 0.00 179.45 178.73 1bk8 h GLN 23 N -0.78 -0.13 0.00 3.15 5.75 -0.24 0.42 115.11 123.28 1bk8 h GLN 23 Ca -0.05 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 1bk8 h GLN 23 Cb 0.52 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1bk8 h GLN 23 CO 0.08 -0.08 -0.03 0.00 -2.65 0.00 0.00 178.83 176.15 1bk8 n GLN 25 N -3.30 0.69 0.19 0.00 6.02 0.49 -1.85 117.38 119.63 1bk8 n GLN 25 Ca -0.02 0.19 -0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1bk8 n GLN 25 Cb 0.15 -1.63 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 1bk8 n GLN 25 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1bk8 h ASP 26 N 0.03 -0.47 0.00 1.08 3.32 0.24 -3.40 116.42 117.22 1bk8 h ASP 26 Ca -0.48 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.51 1bk8 h ASP 26 Cb 2.02 0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.69 1bk8 h ASP 26 CO 0.02 -0.04 0.00 0.79 -1.72 0.00 0.00 179.24 178.29 1bk8 n TRP 27 N -5.15 0.00 -0.09 4.55 7.02 -0.08 -4.92 117.44 118.77 1bk8 n TRP 27 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1bk8 n TRP 27 Cb 0.26 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1bk8 n TRP 27 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1bk8 n GLU 28 N -1.08 0.79 -2.71 -0.99 -0.58 -1.25 -5.03 120.64 109.78 1bk8 n GLU 28 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1bk8 n GLU 28 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bk8 n LYS 29 N -0.17 1.14 -1.55 3.49 4.76 -0.77 -4.07 118.16 120.99 1bk8 n LYS 29 Ca 0.00 -1.90 -0.30 0.00 -2.87 0.00 0.00 58.31 53.24 1bk8 n LYS 29 Cb 0.00 -0.39 0.10 0.00 -1.84 0.00 0.00 35.03 32.90 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 0.13 2.18 0.17 7.82 0.00 -0.79 -4.97 121.76 126.30 1bk8 s ALA 30 Ca 0.22 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1bk8 s ALA 30 Cb 0.37 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.51 1bk8 s ALA 30 CO -0.07 -1.81 1.77 0.77 0.00 0.00 0.00 175.76 176.42 1bk8 h SER 31 N -1.15 0.28 -0.50 0.00 0.02 -0.30 -3.42 113.55 108.48 1bk8 h SER 31 Ca -0.47 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1bk8 h SER 31 Cb 1.28 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1bk8 h SER 31 CO 0.60 0.20 0.00 0.00 -1.14 0.00 0.00 176.83 176.49 1bk8 n HIS 32 N -4.94 -0.50 -4.21 3.45 1.44 -0.78 -4.93 115.22 104.75 1bk8 n HIS 32 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.62 1bk8 n HIS 32 Cb 0.14 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.17 0.98 -0.28 -1.39 0.00 -1.24 -0.62 107.32 103.61 1bk8 s GLY 33 Ca 0.00 -1.46 -0.22 0.00 0.00 0.00 0.00 44.72 43.04 1bk8 s GLY 33 CO 0.00 -1.51 0.87 0.00 0.00 0.00 0.00 173.10 172.46 1bk8 s ALA 34 N -3.57 -1.96 0.34 3.20 0.00 0.37 -3.91 121.76 116.23 1bk8 s ALA 34 Ca 0.17 2.09 -0.21 0.00 0.00 0.00 0.00 51.96 54.00 1bk8 s ALA 34 Cb 0.05 -1.42 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 1bk8 s ALA 34 CO -0.01 -0.31 0.87 0.00 0.00 0.00 0.00 175.76 176.31 1bk8 s HIS 36 N -1.87 -0.04 -0.12 0.00 3.76 0.17 -4.87 115.29 112.31 1bk8 s HIS 36 Ca 0.54 0.08 -0.26 0.00 -0.15 0.00 0.00 55.06 55.27 1bk8 s HIS 36 Cb -0.13 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.53 1bk8 s HIS 36 CO 0.18 -0.23 0.83 0.21 -0.85 0.00 0.00 174.74 174.88 1bk8 s LYS 37 N -0.93 4.37 -0.06 1.40 2.20 -1.26 -0.45 119.74 125.00 1bk8 s LYS 37 Ca -0.10 1.06 -0.03 0.00 -0.36 0.00 0.00 55.97 56.54 1bk8 s LYS 37 Cb -0.06 -3.53 0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1bk8 s LYS 37 CO 0.01 -0.21 0.13 0.50 -0.36 0.00 0.00 175.35 175.43 1bk8 s ARG 38 N 1.70 0.04 -1.37 4.03 6.06 0.19 -4.84 118.95 124.77 1bk8 s ARG 38 Ca 0.40 0.40 -0.05 0.00 -2.50 0.00 0.00 55.73 53.99 1bk8 s ARG 38 Cb -0.17 -0.24 0.00 0.00 0.06 0.00 0.00 34.95 34.59 1bk8 s ARG 38 CO 0.16 -0.22 0.45 0.39 -2.50 0.00 0.00 175.30 173.58 1bk8 n GLU 39 N 4.63 -2.60 0.00 5.12 -0.58 -1.26 -0.44 120.64 125.51 1bk8 n GLU 39 Ca -0.18 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1bk8 n GLU 39 Cb 0.51 -4.27 0.00 0.00 -0.57 0.00 0.00 31.44 27.11 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bk8 n ASN 40 N -2.88 0.00 -4.52 1.62 5.15 -1.26 -4.93 115.26 108.43 1bk8 n ASN 40 Ca -0.27 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.30 1bk8 n ASN 40 Cb 0.67 -1.17 -0.10 0.00 -0.53 0.00 0.00 39.78 38.65 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 -1.41 3.21 -0.15 1.20 3.76 0.41 -4.98 115.29 117.34 1bk8 s HIS 41 Ca 0.00 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.43 1bk8 s HIS 41 Cb 0.00 -2.65 -0.08 0.00 1.11 0.00 0.00 32.58 30.97 1bk8 s HIS 41 CO 0.00 -0.47 2.11 0.91 -0.85 0.00 0.00 174.74 176.44 1bk8 n TRP 42 N 5.32 2.12 -4.20 1.40 7.02 -1.26 -0.63 117.44 127.21 1bk8 n TRP 42 Ca -0.10 -0.14 -0.33 0.00 -1.02 0.00 0.00 57.50 55.91 1bk8 n TRP 42 Cb 0.49 -2.72 -0.08 0.00 -2.42 0.00 0.00 31.31 26.58 1bk8 n TRP 42 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1bk8 s LYS 43 N 5.57 2.98 -0.54 -0.99 -0.14 0.40 0.03 119.74 127.04 1bk8 s LYS 43 Ca 0.98 -0.49 -0.28 0.00 -1.36 0.00 0.00 55.97 54.81 1bk8 s LYS 43 Cb -0.46 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1bk8 s LYS 43 CO 0.41 0.66 1.43 0.00 -0.76 0.00 0.00 175.35 177.08 1bk8 s PHE 45 N 6.06 3.76 0.13 0.00 0.40 -0.01 -1.74 117.98 126.58 1bk8 s PHE 45 Ca 0.54 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 58.45 1bk8 s PHE 45 Cb -0.11 -2.70 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1bk8 s PHE 45 CO 0.26 0.41 0.01 0.00 0.70 0.00 0.00 175.22 176.59 1bk8 s TYR 47 N -1.53 1.82 0.56 0.00 1.51 0.21 -0.47 117.35 119.46 1bk8 s TYR 47 Ca 0.27 -1.63 0.03 0.00 -1.01 0.00 0.00 57.07 54.73 1bk8 s TYR 47 Cb -0.10 -1.62 0.11 0.00 -0.11 0.00 0.00 41.96 40.23 1bk8 s TYR 47 CO 0.19 -0.81 0.78 1.19 -1.11 0.00 0.00 175.55 175.79 1bk8 n PHE 48 N 4.82 -2.75 -1.34 2.71 3.01 0.02 0.43 117.46 124.37 1bk8 n PHE 48 Ca -0.05 -1.62 -0.12 0.00 1.01 0.00 0.00 57.45 56.66 1bk8 n PHE 48 Cb 0.43 -0.55 -0.05 0.00 -0.01 0.00 0.00 39.48 39.30 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 -2.71 -3.47 -0.78 4.37 4.13 -1.26 -0.12 115.26 115.41 1bk8 n ASN 49 Ca 0.14 0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.83 1bk8 n ASN 49 Cb 0.50 -3.19 0.26 0.00 -1.54 0.00 0.00 39.78 35.81 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54